Page 1

The 32nd Annual Conference of The National Organization for the Professional Advancement of Black Chemists and Chemical Engineers N O B C C h E | 2 0 0 5

“NOBCChE: Redefining the Face of Science and Technology� JW Marriott Orlando, Grande Lakes

Orlando, Florida March 20 - 26, 2005


In Memoriam Ms. Winifred Burks-Houck, NOBCChE National President, 1992 - 2001 It was with much sadness that we announced in May 2004, the passing of Winifred Burks-Houck, a past president of NOBCChE. She will be deeply missed and will be especially remembered for her positive attitude and devotion to this organization. Winifred Burks-Houck was born in Anniston, Alabama on August 20, 1950. She was one of six children born to Matthew Burks and the late Mary Emma Goodson-Burks. She was the great, great, great granddaughter of noted abolitionist Harriet Tubman. Winifred attended elementary school and high school in Anniston, Alabama. She received a Bachelor of Arts degree in chemistry from Dillard University in New Orleans and a Master of Science Degree in Organic Chemistry from Atlanta University, Atlanta, Georgia. Her service in the field of science was stellar. Winifred was the first female national president of NOBCChE, and she served an unprecedented four two-year terms. Her tenure as national president signaled several positive changes within the organization; increasing the number of students and professional chapters by more than 100%, increasing NOBCChE visibility; instituting new scholarships through public and private entities and updating telephone and computer systems at the National Office. Under her leadership, the Science Quiz Bowl and the Science Fair were established at the National level. Partnerships were built with other organizations such as the American Association for the Advancement of Science (AAAS), American Chemical Society (ACS), American Indian Science and Engineering Alliance, National Aeronautics and Space Administration (NASA), and the Society for the Advancement of Chicanos and Native Americans in Science (SACNAS). She was an Environmental Chemist at Lawrence Livermore National Laboratory in Livermore, CA. since 1983. In earlier years she worked as an environmental organic chemist. As a result of her work as an environmental chemist, she was invited to Dakar, Senegal where she represented NOBCChE and presented a talk entitled ʺEnvironmental Applications and Regulatory Reportingʺ. Winifred joined Delta Sigma Theta Sorority while an undergraduate student at Dillard University. She was a loyal member of the San Francisco-Peninsula Alumnae Chapter and served in various leadership positions: president, vice-president, chair of the chapterʹs fundraising-most notably the annual golf tournament, and chapter coordinator for the annual Soul Stroll for Health. At their 43rd National Sorority Convention, she was recognized as a Project Cherish Honoree for her outstanding work in the field of science. She brought a strong sense of organization and order to all the events and activities she spearheaded. While Winifred was a dedicated scholar, a brilliant scientist and a gifted mathematician, she had a penchant for recalling numbers, songs and other trivia. However, she is remembered most for her dry sense of humor and charming smile. She is survived by her loving husband, Dr. Morris T. Houck, her son, Jonathan; father, Matthew Burks, two sisters, three brothers, and a host of aunts, uncles, nieces, nephews, cousins, and friends.


TABLE OF CONTENTS In Memoriam - A Tribute to Ms. Winifred Burks-Houck, NOBCChE National President, 1992 - 2001 Welcome Letters

Hotel Layout

ii v

xiii

Conference Sponsors

1

Conference at a Glance

2

NOBCChE Endowment Education Fund

10

Program Schedule

13

NOBCChE 2005 Exhibitors

53

Forum and Workshop Abstracts

56

Conference Speakers

61

Technical Abstracts

84

Poster Session Abstracts

144

National Conference Planning Committee

183

National Conference Planning Committee Subcommittees

184


N BCChE

National Organization for the Professional Advancement of Black Chemists and Chemical Engineers

Dear NOBCChE Family and Friends, It is with great pleasure that I welcome you to NOBCChE’s 32nd Annual Meeting and to Orlando. Leaders in the chemical and chemical engineering fields believe that a key element of the United States’ mission to maintain its technology leadership is the continued availability of skilled professionals in chemistry and chemical engineering. However, to ensure the viability of the profession we must lead in making dramatic changes including, but not limited to, curricula reforms to embrace the emerging cross-disciplinary aspects of the field, develop methods to draw the highest quality of students to the field, and ensure that we maintain the entrepreneurial spirit that leads to innovation. In addition, the reform needs to be done in the context of the projected demographic changes in the population showing that by 2015 the majority population in the US will be comprised of Hispanics and Blacks, groups not traditionally engaged in or encouraged to enter the technical fields. To successfully address the dramatic changes, we will need to “Redefine the Face of Science and Technology”, the theme of this meeting. NOBCChE is uniquely positioned to play a pivotal role in this redefinition and we must step up to the plate to address the challenges that come with this role. In response to your past feedback and current challenges, the conference program includes additional workshops, and symposia related to professional development needed to effect the changes. The technical presentations represent the latest trends in academic and industrial research. Together, they capture the theme of the conference, and the conference program lays the groundwork for NOBCChE to leverage its resources with academia, government agencies, industry as well as with other technical professional organizations to confront the challenges ahead. Please take every opportunity to participate, interact and commit to personal growth and involvement in the redefinition of the technical landscape. Feel free to build on old friendships while making new friendships, to engage our younger attendees, and to take advantage of every opportunity to raise the level of excellence of our profession for today and for the future of the chemical enterprise.

President Marquita M. Qualls, Ph.D. GlaxoSmithKline Collegeville, PA 19426 Vice-President Rukeyser S.Thompson, Ph.D. The Dow Chemical Company Freeport, TX 77541 Secretary Sharon J. Barnes The Dow Chemical Company Freeport, TX 77541 Treasurer Dale Mack Atlanta University Center Atlanta, GA 30310 National Student Representative Ms. Tamiika Hrust University of Michigan Ann Arbor, ME 48109 Midwest Regional Chair Kimberly D. Jackson The Procter and Gamble Company Mason, OH 45040 Northeast Regional Chair Patrick Gordon, Ph.D. Retired Woburn, MA 01801 Southeast Regional Chair James Grainger, Ph.D. Center for Disease Control Atlanta, GA 30337 Southwest Regional Chair Mr. Lonnie Fogle Retired LaPorte, TX 77572 West Regional Chair Mr. Isom Harrison Lawrence Livermore Natl. Lab. Livermore, CA 94551 EXECUTIVE COMMITTEE Denise Barnes, Ph.D. Chairman Atlanta, GA 30071 Mr. Darrell Davis, Vice Chairman Drug Enforcement Administration Dallas, TX 75235 Mr. Perry Catchings Prime Organics, Inc. Lowell, MA 01851 Isaiah Warner, Ph.D. Lousiana State University Baton Rouge, LA 70803 Joseph Francisco, Ph.D. Purdue University West Lafayette, IN 47906 Robert Murff, Eli Lilly and Company Indianapolis, IN 46285 Leonard Small, Ph.D. The Procter & Gamble Company Mason,, OH 45040

Sincerely, Denise M. Barnes, PhD Chairman, NOBCChE Executive Board P.O. Box 77040 Washington, DC 20013 202-667-1699

www.nobcche.org

Bobby L. Wilson, Ph.D. Texas Southern University Houston, TX 77004


N BCChE

National Organization for the Professional Advancement of Black Chemists and Chemical Engineers

President Marquita M. Qualls, Ph.D. GlaxoSmithKline Collegeville, PA 19426

Greetings Conference! I am delighted that you decided to join us in the magical city of Orlando and welcome you to the 32nd annual meeting of NOBCChE. This meeting culminates an exciting year for us. Please celebrate our successes in Redefining the Face of Science and Technology by actively participating in every aspect of the meeting. You will undoubtedly participate by attending the luncheons, workshops and technical sessions. However, I challenge you to be an active participant in this year’s meeting by engaging in ‘The Discussion’ on NOBCChE’s role in the future of chemical sciences. There will be several opportunities to initiate this dialogue and I encourage you to take advantage of each one. Whether you are in a technical session that highlights the increasingly multidisciplinary nature of chemistry, learning about the latest developments in Sickle Cell disease research at the annual Health Symposium, or simply enjoying the fine cuisine at a midday luncheon, your unique input to these conversations is valued. After all, the outcome of these discussions will provide the basis for continued success in the technological advancements of African American scientists. On Thursday and Friday, the Science Bowl will be buzzing with chatter. If you have never witnessed this competition, then you have missed out on some fantastic conversation pieces. The wit and intelligence of our junior high and high school students is amazing. Make sure to include those sessions on your conference schedule. They are truly the new ‘faces of science and technology’. I’m looking forward to the discussions with you this week!

Vice-President Rukeyser S.Thompson, Ph.D. The Dow Chemical Company Freeport, TX 77541 Secretary Sharon J. Barnes The Dow Chemical Company Freeport, TX 77541 Treasurer Dale Mack Atlanta University Center Atlanta, GA 30310 National Student Representative Ms. Tamiika Hrust University of Michigan Ann Arbor, ME 48109 Midwest Regional Chair Kimberly D. Jackson The Procter and Gamble Company Mason, OH 45040 Northeast Regional Chair Patrick Gordon, Ph.D. Retired Woburn, MA 01801 Southeast Regional Chair James Grainger, Ph.D. Center for Disease Control Atlanta, GA 30337 Southwest Regional Chair Mr. Lonnie Fogle Retired LaPorte, TX 77572 West Regional Chair Mr. Isom Harrison Lawrence Livermore Natl. Lab. Livermore, CA 94551 EXECUTIVE COMMITTEE Denise Barnes, Ph.D. Chairman Atlanta, GA 30071 Mr. Darrell Davis, Vice Chairman Drug Enforcement Administration Dallas, TX 75235 Mr. Perry Catchings Prime Organics, Inc. Lowell, MA 01851 Isaiah Warner, Ph.D. Lousiana State University Baton Rouge, LA 70803 Joseph Francisco, Ph.D. Purdue University West Lafayette, IN 47906 Robert Murff, Eli Lilly and Company Indianapolis, IN 46285

Marquita M. Qualls, Ph.D. NOBCChE President 2005

Leonard Small, Ph.D. The Procter & Gamble Company Mason,, OH 45040 Bobby L. Wilson, Ph.D. Texas Southern University Houston, TX 77004

P.O. Box 77040 Washington, DC 20013 202-667-1699

www.nobcche.org


N BCChE

National Organization for the Professional Advancement of Black Chemists and Chemical Engineers

Tamiika K. Hurst NOBCChE National Student Representative 20042005

President Marquita M. Qualls, Ph.D. GlaxoSmithKline Collegeville, PA 19426 Vice-President Rukeyser S.Thompson, Ph.D. The Dow Chemical Company Freeport, TX 77541 Secretary Sharon J. Barnes The Dow Chemical Company Freeport, TX 77541

All, Welcome to the 2005 NOBCChE Annual Conference! As a student leader, I value the active participation in academic and professional development initiatives. These types of experiences help us to establish realistic goals, seek and utilize our resources, and most importantly, function with a purpose. This conferenceʹs theme, “Redefining the Face of Science and Technology,” is a great expression of renewed and expanded opportunities that promote career advancement and student involvement with NOBCChE. NOBCChE has earned a reputation for its unique contributions to the mentoring and leadership development of underrepresented scientists and engineers. During this meeting, I encourage you to network with confidence, engage in scientific dialogue, attend forums and workshops and have fun! My primary focuses as National Student Representative have been to increase student membership, continue the efficient transfer of ideas/information among the student chapters and influence future leaders by implementing structure and vision. I humbly thank the student membership of NOBCChE for supporting my vision. The student “voice” is definitely making an I.M.P.A.C.T! (Increased Membership that Promotes Active Chapters and Teamwork).

Treasurer Dale Mack Atlanta University Center Atlanta, GA 30310 National Student Representative Ms. Tamiika Hrust University of Michigan Ann Arbor, ME 48109 Midwest Regional Chair Kimberly D. Jackson The Procter and Gamble Company Mason, OH 45040 Northeast Regional Chair Patrick Gordon, Ph.D. Retired Woburn, MA 01801 Southeast Regional Chair James Grainger, Ph.D. Center for Disease Control Atlanta, GA 30337 Southwest Regional Chair Mr. Lonnie Fogle Retired LaPorte, TX 77572 West Regional Chair Mr. Isom Harrison Lawrence Livermore Natl. Lab. Livermore, CA 94551 EXECUTIVE COMMITTEE Denise Barnes, Ph.D. Chairman Atlanta, GA 30071 Mr. Darrell Davis, Vice Chairman Drug Enforcement Administration Dallas, TX 75235 Mr. Perry Catchings Prime Organics, Inc. Lowell, MA 01851 Isaiah Warner, Ph.D. Lousiana State University Baton Rouge, LA 70803 Joseph Francisco, Ph.D. Purdue University West Lafayette, IN 47906 Robert Murff, Eli Lilly and Company Indianapolis, IN 46285 Leonard Small, Ph.D. The Procter & Gamble Company Mason,, OH 45040 Bobby L. Wilson, Ph.D. Texas Southern University Houston, TX 77004

P.O. Box 77040 Washington, DC 20013 202-667-1699

www.nobcche.org


N BCChE

National Organization for the Professional Advancement of Black Chemists and Chemical Engineers

Welcome to the 32nd Annual NOBCChE Conference President Marquita M. Qualls, Ph.D. GlaxoSmithKline Collegeville, PA 19426

Dear Attendees: On behalf of the NOBCChE National Planning Committee, I want to welcome you to the 32nd Annual Conference of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers. We are back in the city that produced our greatest attendance at a NOBCChE conference and the first to require multiple hotels to house our attendees. We hope to repeat that accomplishment and again enjoy Orlando and its favorable family environment. There is no better place to start than the hotel that will accommodate our meeting for the next five days. The JW Marriott Orlando, Grande Lakes is less than two years old and maintains the beauty and splendor of a five star property. Please take some time to enjoy many of the amenities it has to offer, as well as its world class Spa and Fitness Center. The Planning Committee has chosen the theme “Redefining the Face of Science and Technology�. It is our goal that the program we have planned will meet your expectations and provides you with enough technical information to aid you in the development and advancement of your career. The program starts on Monday with a Teachers Workshop, a resume writing workshop, the Henry Hill Lecture, a luncheon sponsored by the American Chemical Society, and the ACS Distinguished Scientist Symposium. The technical presentations and professional development sessions run Monday through Friday and include the Rohm-Haas Undergraduate Research Competition, Poster Presentations, and a Plenary Session. This years Health Forum, which focuses on Sickle Cell Disease, will take place on Wednesday night. The Awards Banquet will showcase corporate recognition of some outstanding undergraduate and graduate students, professional honors, such as the Percy Julian Award, and numerous recognition awards for exemplary service to NOBCChE. The conference will conclude on Friday with the finals of the Science Bowl Competition and the Students Awards Luncheon. There are many corporate exhibitors and sponsors in attendance. Please visit their booths and explore new professional opportunities. Sincerely,

Robert L. Countryman Robert L. Countryman, CMP Chair, NOBCChE National Planning Committee

P.O. Box 77040 Washington, DC 20013 202-667-1699

www.nobcche.org

Vice-President Rukeyser S.Thompson, Ph.D. The Dow Chemical Company Freeport, TX 77541 Secretary Sharon J. Barnes The Dow Chemical Company Freeport, TX 77541 Treasurer Dale Mack Atlanta University Center Atlanta, GA 30310 National Student Representative Ms. Tamiika Hrust University of Michigan Ann Arbor, ME 48109 Midwest Regional Chair Kimberly D. Jackson The Procter and Gamble Company Mason, OH 45040 Northeast Regional Chair Patrick Gordon, Ph.D. Retired Woburn, MA 01801 Southeast Regional Chair James Grainger, Ph.D. Center for Disease Control Atlanta, GA 30337 Southwest Regional Chair Mr. Lonnie Fogle Retired LaPorte, TX 77572 West Regional Chair Mr. Isom Harrison Lawrence Livermore Natl. Lab. Livermore, CA 94551 EXECUTIVE COMMITTEE Denise Barnes, Ph.D. Chairman Atlanta, GA 30071 Mr. Darrell Davis, Vice Chairman Drug Enforcement Administration Dallas, TX 75235 Mr. Perry Catchings Prime Organics, Inc. Lowell, MA 01851 Isaiah Warner, Ph.D. Lousiana State University Baton Rouge, LA 70803 Joseph Francisco, Ph.D. Purdue University West Lafayette, IN 47906 Robert Murff, Eli Lilly and Company Indianapolis, IN 46285 Leonard Small, Ph.D. The Procter & Gamble Company Mason,, OH 45040 Bobby L. Wilson, Ph.D. Texas Southern University Houston, TX 77004


195_I_am_ad_8.5x11B&W

2/10/05

12:45 PM

Page 1

I am an avid genealogist.

I have traced my family’s ancestry back to 1823. And I am part of a cardiovascular research team working on a drugcoated stent program to enhance the lives of heart patients.

My name is Sandra Burke. I’ve been an Abbott employee for 16 years.

You are passionate about what you do—an inspiration to those around you. You want to make a difference in your world. You want the freedom to think, to dream, to see your ideas realized. And you look forward to meeting new and exciting challenges every day. At Abbott Laboratories, you will find an environment that inspires a level of achievement seldom found in today’s workplace. An environment that recognizes and rewards individual contributions and discoveries. An environment where you can work alongside the foremost authorities in your chosen field. Experience the inspiration that comes from having small-company freedom with big-company resources.

www.abbott.com


HOTEL LAYOUT

Lobby Level

Lower Level


CONFERENCE SPONSORS NOBCChE extends its thanks and appreciation to the companies listed below for their contributions to NOBCChE 2005. 3M Corporation St. Paul, MN

GlaxoSmithKline King of Prussia, PA

American Association for the Advancement of Science Washington, DC

Lawrence Livermore National Laboratory Livermore, CA

American Chemical Society Washington, DC

Merck & Company, Inc. Rahway, NJ

Dow Chemical Company Midland, MI

NASA Washington, DC

Drug Enforcement Administration Washington, DC

Pfizer Central Research Incorporated Groton, CT

Eli Lilly and Company Indianapolis, IN

Ross Products Columbus, OH

1


CONFERENCE AT A GLANCE Sunday, March 20

Meeting Room

6:30 A.M. - 7:15 A.M. 7:00 A.M.- 3:00 P.M. 3:00 P.M. - 6:00 P.M.

NOBCChE Health Walk NOBCChE Golf Outing Registration

4:00 P.M. - 6:00 P.M. 7:00 P.M. - 9:00 P.M.

Supported Students Meeting NOBCChE Welcome Reception Sponsored by NOBCChE Hospitality Suite

Suite

6:30 A.M. - 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:30 A.M. - 9:00 A.M.

Continental Breakfast

Mediterranean

10:00 P.M. -12:00 A.M.

Med Porto Cochere Mediterranean Ballroom Foyer 1-3 Cordova 3 Mediterranean 1 & 2

Monday, March 21

Ballroom Foyer 1-3 7:00 A.M. - 8:30 A.M.

Registration

7:00 A.M. - 5:00 P.M.

Interview Rooms

Mediterranean Ballroom Foyer 1-3 Milagro Cordova 1 Amarante 1

8:30 A.M. - 10:00 A.M.

Opening Session

Mediterranean 1 & 2

Keynote Speaker: Dr. Shirley Weber, Professor of African Studies, Chair of Black Studies Department, San Diego State University 9:00 A.M. - 5:00 P.M.

Career Fair Set up

Mediterranean 4 & 5

10:15 A.M. - 11:45A.M. Henry Hill Lecture

Mediterranean 1 & 2

Sponsored by the American Chemistry Society Northeast Section

Speaker: Dr. Willie E. May, Director, Chemical Science and Technology Laboratory National Institute of Standards and Technology, Gaithersburg, MD 10:30 A.M. - 5:00 P.M. Registration

2

Mediterranean Ballroom Foyer 1-3


CONFERENCE AT A GLANCE Monday, March 21(Cont.) 12:00 P.M. - 1:15 P.M.

American Chemical Society Luncheon

Speaker:

Dr. William F. Carroll, Jr., President

Palazzo A-C

American Chemical Society 1:30 P.M. - 5:00 P.M.

Teachers Workshop I

Del Lago 1 & 2

Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

1:30 P.M. - 4:30 P.M. 1:30 - 3:00

Technical Sessions: 1) Atmospheric I

Cordova 2

1:30 - 3:00

2)

Cordova 3

3:00 - 4:30

3)

Environmental

Cordova 2

3:00 - 4:30

4)

Polymers I

Cordova 3

Organometallic, Heterocyclic, and Polymer Organic Chemistry

1:30 P.M. - 5:30 P.M.

Professional Development Workshop 1 Del Lago 3 & 4 a) “Resume Writing Workshop” b) “Pre-Clinical Research & Development”

2:00 P.M - 4:00 P.M. 4:30 P.M. - 5:30 P.M.

Executive Board Meeting Exhibitors Meeting

La Serena Board Mediterranean 3

4:45 P.M. - 6:00 P.M.

Mediterranean 1 & 2

6:00 P.M. - 7:30 P.M.

ACS Distinguished Scientists Professor Levi T. Thompson, Chemical Engineering, University of Michigan NOBCChE Reception

8:00 P.M. - 10:30 P.M.

Presidentsʹ Meeting

Del Lago 1 & 2

8:00 P.M. - 10:00 P.M.

Supported Students Meeting

Cordova 3

10:00 P.M. -12:00 A.M.

Hospitality Suite

Suite

6:30 A.M. - 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:30 A.M. - 9:00 A.M.

Continental Breakfast

Mediterranean

Valencia Terrace

Tuesday, March 22

Ballroom Foyer 1-3 3


CONFERENCE AT A GLANCE Tuesday, March 22 (Cont.) 7:30 A.M. - 4:30 P.M.

Registration

7:00 A.M. - 5:00 P.M.

Interview Rooms

8:00 A.M. - 4:30 P.M.

Teachers Workshop II

Mediterranean Ballroom Foyer 1-3 Milagro, Cordova 1, Amarante 1 Del Lago 1 & 2

Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

8:00 A.M. - 11:50 A.M.

Professional Development Workshop 1 Del Lago 3 & 4 a) “Resume Writing Workshop” b) “Pre-Clinical Research & Development”

9:00 A.M. - 12:00 P.M.

Career Fair Set up

9:00 A.M. - 11:50 A.M. 9:00 - 10:20

Technical Sessions: 1) Modeling and Simulation Methods Cordova 2

Mediterranean Ballroom 4 & 5

9:00 - 10:20

2)

Polymers II

Cordova 3

10:30 - 11:50

3)

Cordova 2

10:30 - 11:50

4)

Modeling and Simulation in Biochemistry Atmospheric II

Cordova 3

12:00 P.M. - 1:30 P.M.

Luncheon

Palazzo A - C

Speaker:

1:30 P.M. - 5:00 P.M.

Dr. Pamela McCauley-Bell, Associate Professor of Industrial Engineering and Management Systems, University of Central Florida Orlando, FL Career Fair Open

Mediterranean 4 & 5

3:30 P.M. - 5:00 P.M.

Professional Development Workshop 2

Del Lago 3 & 4

Topic:

“Business Essentials for Successful Innovation” Dr. Chris Hollinsed DuPont Company Wilmington, DE Dr. Edward Yokley, Executive Vice President & Founder, Spherical Dynamics Inc

Instructors:

4


CONFERENCE AT A GLANCE Tuesday, March 22 (Cont.) 3:30 P.M. - 5:00 P.M.

Professional Development Workshop 3

Topic:

“Funding Opportunities and Strategies”

4:30 P.M. - 5:00 P.M.

Poster Session Set up

Mediterranean 1-3

5:00 P.M. - 6:30 P.M.

Exhibitor Mixer/Poster Session

Mediterranean 1-3

6:30 P.M. - 7:30 P.M.

GEM Fellowship Process - Graduate Mediterranean 1-3 School NOBCChE Night Out at Cirque du Soleil ʺLa Noubaʺ @

8:00 P.M. - 11:30 P.M.

Cordova 2

Disneyworld 10:00 P.M. -12:00 A.M.

Hospitality Suite

Suite

Wednesday, March 23 6:30 A.M. – 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:00 A.M. - 8:30 A.M. 7:30 A.M. – 9:00 A.M.

Forensic Workshop Continental Breakfast

Cordova 2 Mediterranean 4 & 5

7:30 A.M. - 8:30 A.M.

Registration

7:00 A.M. - 5:00 P.M.

Interview Rooms

8:00 A.M. - 4:30 P.M.

Teachers Workshop III

Mediterranean Ballroom Foyer 1-3 Milagro Board Cordova 1 Amarante 1 Del Lago 1 & 2

Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

8:30 A.M. – 10:15 A.M.

General Session

Mediterranean 1 & 2

10:15 A.M. - 4:30 P.M.

Registration

10:30 A.M. - 5:00 P.M.

Career Fair

Mediterranean Ballroom Foyer 1-3 Mediterranean 4 & 5

5


CONFERENCE AT A GLANCE Wednesday, March 23 (Cont’d) 10:30 A.M.-11:45 A.M.

Percy L. Julian Lecture

Mediterranean 1 & 2

Speaker:

Dr. James H. Wyche, Professor of Biology, College of Arts and Sciences, and Molecular Pharmacology, School of Medicine, University of Miami, Coral Gables, FL Percy L. Julian Luncheon

Palazzo A - C

12:00 P.M. - 1:30 P.M. Speaker:

2:00 PM. - 4:00 P.M. 4:30 P. M. - 5:30 P. M.

Dr. James M. Turner, Assistant Deputy Administrator Nuclear Risk Reduction National Nuclear Security Administration, US DOE NOBCChE Rohm and Haas Undergraduate Research Competition Regional Meetings Northeast

Cordova 2

Southeast

Cordova 3

Midwest

Cordova 4

Southwest

Amarante 2

West

Amarante 3

Cordova 2

5:30 P.M. - 8:30 P.M.

Rap Session

Palazzo A - C

5:30 P.M. – 7:00 P.M.

National Science Foundation Reception

Mediterranean Foyer 4&5

Sponsored by NSFʹs Divisions of Chemistry, Materials, and Chemical and Transport Systems

7:00 P.M. - 8:30 P.M.

Mediterranean 1& 2

Health Forum Sponsored by Eli Lilly And Company Hospitality Suite

Suite

6:30 A.M. - 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr 7:00 A.M - 8:00 A.M. 7:00 A.M. - 8:00 A.M.

NOBCChE Office Executive Board Meeting Science Fair Set-up Junior & Senior Division

Cordova 5 & 6 La Serena Board Mediterranean 2 & 3

10:00 P.M. -12:00 A.M.

Thursday, March 24

6


CONFERENCE AT A GLANCE Thursday, March 24 (Cont’d) 7:00 A.M. - 5:00 P.M.

Interview Rooms

7:30 A.M. - 9:00 A.M.

Continental Breakfast

Milagro Board Cordova 1 Amarante 1 Mediterranean Ballroom Foyer 4 & 5

7:30 A.M. - 4:00 P.M.

Registration

8:30 A.M. - 11:30 A.M.

Poster Session Viewing

Mediterranean Ballroom Foyer 1-3 Mediterranean 4 & 5

9:00 A.M. - 11:00 A.M. 9:00 - 11:00

Technical Sessions: 1) Engineering and Materials

Cordova 2

2)

Cordova 3

9:00 - 11:00

Pharmacological Chemistry

9:00 A.M. - 12:00 P.M.

Career Fair

9:00 A.M. - 10:50 A.M.

Professional Development Workshop 4

Topic:

“Strategies for Job and Career Transitioning”

Mediterranean Ballroom 4 & 5 Del Lago 1 & 2

Instructor:

Dorothy Rodmann, American Chemical Society, Washington, DC 9:00 A.M. - 11:50 A.M Science Fair Judging Senior Division Junior Division 11:00 A.M. - 12:20 A.M College Students Meeting

Mediterranean 2 & 3

12:00 P.M. - 1:30 P.M.

Lunch (On your own)

Hotel Restaurants

12:00 P.M. - 3:00 P.M.

Career Fair Booth Tear Down

Mediterranean 4 & 5

1:00 P.M. - 3:00 P.M.

Science Fair Viewing

Mediterranean 2 & 3

12:30 P.M. - 5:00 P.M.

Science Bowl Junior Division

Amarante 2 & 3 Marbella 1 & 2 Cordova 5 & 6

12:30 P.M. - 5:00 P.M.

Science Bowl Senior Division

7

Del Lago 1 & 2

Mediterranean 6 Mediterranean 7 Mediterranean 8


CONFERENCE AT A GLANCE Thursday, March 24 (Cont.) 1:00 P.M. - 3:00 P.M.

3:30 P.M. - 5:00 P.M.

Plenary Session: “Supersymmetryʹʹ Dr. Sylvester J. Gates John S. Toll Professor of Physics University of Maryland Professional Development Workshop 5 “Voices of NOBCChE Women,” Dr. Jeanette Brown

Mediterranean 1

Del Lago 1 & 2

3:00 P.M. - 5:00 P.M. 3:00 - 5:00

Technical Sessions: 1) Chemical Engineering

Cordova 2

3:00 - 5:00

2)

Cordova 3

6:00 P.M. – 7:00 P.M.

Banquet Reception

7:00 P.M. – 10:30 P.M. 7:00 P.M. – 12:00 A.M.

Awards Banquet Winifred Burks-Houck Tribute Science Bowl/Fair Social Dance (DJ)

10:00 P.M. -12:00 A.M.

Hospitality Suite

Suite

6:30 A.M. – 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:30 A.M. – 9:00 A.M.

Continental Breakfast

Mediterranean Salon 2

Analytical Chemistry

Mediterranean Foyer 4&5 Mediterranean 1-4 Mediterranean 6-8

Friday, March 25

& Foyer 7:00 A.M. - 5:00 P.M.

Interview Rooms

8:00 A.M – 11:45 A.M.

Science Bowl Senior Division Junior Division Technical Sessions: 1) Molecular Recognition: HostGuest, Macro- and SupraMolecular Chemistry

9:00 A.M. - 11:50 A.M. 9:00 - 10:20

9:00 - 10:20

2)

Milagro Board Cordova 1 Amarante 1

Materials Chemistry 8

Mediterranean 1 Mediterranean 3 Cordova 2

Cordova 3


CONFERENCE AT A GLANCE Friday, March 25 (Cont.) 10:30 - 11:50

3)

Spectroscopy

Cordova 2

10:30 - 11:50

4)

Engineering and Materials in Biological Chemistry

Cordova 3

12:00 P.M – 2:30 P.M.

Students Awards Luncheon

Mediterranean 4

Speaker:

2:30 P.M. - 3:00 P.M.

Speaker: Dr. Calvin Mackie, Associate Professor, Department of Mechanical Engineering, Tulane University All Star Science Bowl

Mediterranean 1-3

10:00 P.M. -12:00 A.M.

Hospitality Suite

Suite

9:00 A.M. – 4:00 P.M.

Kennedy Space Center Tour

9:00 A.M. – 4:00 P.M.

National Planning Committee Meeting

Med Porto Cochere Departure La Serena Board

Saturday, March 26

9


NOBCChE ENDOWMENT EDUCATION FUND We wish to thank members and friends of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers for their support and confidence in the future of NOBCChE by making a $500.00 or more tax deductible contribution to the NOBCChE Endowment Education Fund. Mildred Allison Denise Barnes Henry T. Brown Winifred Burks-Houck Virlyn Burse* Joseph N. Cannon Callista Chukwunenye Robert L. Countryman Andrew Crowe* Darrell Davis Anthony L. Dent* Lawrence E. Doolin* Linneaus Dorman* Fannie Posey Eddy James Evans, Sr. Lloyd Ferguson Lonnie Fogel Lloyd Freeman Eddie Gay Joseph Gordon* William Guillory* Jonathan K. Hale James Harris Bruce Harris* Ivory Herbert Kenneth W Hicks Neville Holder Isaac B. Horton, III Donald A. Hudson

Charles R. Hurt William M. Jackson* Christopher Kinard Anita Osborne-Lee George Lester, Jr. Mallinkrodt Chemical Inc. Willie May Jefferson McCowan* Victor McCrary Sidney McNairy Lynn Melton Philip Merchant Reginald E. Mitchell William V. Ormond* James A. Porter Cordelia M. Price* Janet B. Reid Leonard E. Small* Florence P. Smith Michael Stallings Clarence Tucker* Benjamin Wallace Charles Washington Joseph Watson Billy Williams Keith B. Williams Reginald Willingham Bobby Wilson Andrea Young*

* Contributed more than $500.00

10


NOBCChE ENDOWMENT EDUCATION FUND We wish to thank members and friends of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers for their support and confidence in the future of NOBCChE, and for their tax deductible contribution to the NOBCChE Endowment Education Fund. Adegboye Adeyeno Keith Alexander Verlinda Allen Eugene Alsandor Roseanne Anderson Victor Atiemo-Obeng Benny Askew, Jr. Joseph Barnes Tegwyn L. Berry Alfred Bishop Iona Black Jeanette E. Brown Nora Butler-Briant James Burke Jacqueline Calhoun Lashanda Carter Perry Catchings, Jr. Aldene Chambles John J. Chapman Esteban Chornet Reginald A. Christy Regina V. Clark James Clifton Edward Coleman George Collins James E. Cotton Garry S. Crosson Reuben Daniel Kowetha Davidson Ella Davis Thomas Davis Thomas Dill Gerald Ellis Pat Fagbayi

Edward Flabe Edward E. Flagg Joe Franklin Russell Franklin Issac Gamwo John W. Garner Cornelia Gilyard Robert Gooden Warren E. Gooden Valerie Goss Etta Gravely Keith V. Guinn Everett B. Guthrie Gene S. Hall James Hamilton Kinesha Harris April Harrison Isom Harrison Rogers E. Harry-Oruru Lincoln Hawkins Ronald Haynes Ronald T. Henry Leonard Holley Smallwood Holoman, Jr. Brenda S. Holmes Nikisha Hunter Bernard Jackson Donald Jackson Evelyn P. Jackson Kim Jackson Kyle Jackson Ganiyua Jaiyeola Raymond James Allene Johnson

11

Elijah Johnson Harry Johnson Paula Johnson Saphronia Johnson Emmett Jones Evy Jones Jennifer A. Jones Jesse Jones Timothy Jones Thomas C. Jones Verlinda Jordan Jimmie Julian Ella L. Kelly Otis Kems Kirby Kirksey Rachel Law Mia Laws Lester A. Lee Cynthia R. Leslie Steve Lucas Alex Maasa Dale Mack George S. Mack Robert McAllister Aliecia McClain Gerald McCloud Walter McFall Saundra Y. McGuire Dawn McLaurin Linda Mead-Tollin Janice Meeks Charles W. Merideth Damon Mitchell M. P. Moon


NOBCChE ENDOWMENT EDUCATION FUND Robert Murff Harvey Myers Tina Newsome James Nichols Kenneth Norton Mobolaji O. Olwinde Bunmi Ogunkeye Kofi Oppong Beverly Paul James Pearce James Pearson Tony L. Perry Howard Peters Mwita V Phelps Walter G. Phillips Louis Pierce Wendell Plain Charles A. Plinton Jamacia Prince Marquita Qualls Daniel Reuben

Mary Robinson Press Robinson Anne Roby Tommie Royster Albert E Russell Franklin Russell Clark Scales Billy Scott Melva Scott Robert Shepard Keroline M. Simmonds Tiffany Simpson Milton Sloan Karen Speights - Diggs Oreoluwa Sofekun Lucius Stephenson Wilford Stewart Grant St. Julian Richard Sullivan Albert Thompson Dameyun Thompson

12

Ezra Totton Jorge Valdes Grant Venerable Cheryl A. Vocking Samuel von Winbush Gerald Walker Leon C. Warner Michael Washington Odiest Washington Ben Watson Joseph W. Watson Helen P. White Ronald H. White Thomas Whitt Leonard Wilmen Laura C. Williams Joe Williams Raymond Williams Jeremy Willis Sean Wright Sandra Wyatt


PROGRAM SCHEDULE Sunday, March 20 6:30 A.M. - 7:15 A.M. 7:00 A.M. - 3:00 P.M. 10:00 A.M - 5:00 P.M. 4:00 P.M. - 6:00 P.M. 7:00 P. M. - 9:00 P.M.

Meeting Room NOBCChE Health Walk NOBCChE Golf Outing Executive Board Meeting Supported Students Meeting NOBCChE Welcome Reception Sponsored by NOBCChE

Med Porto Cochere La Serena Board Cordova 3 Mediterranean 1 & 2

Monday, March 21 6:30 A.M. - 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:30 A.M. - 9:00 A.M.

Continental Breakfast

Palazzo A & B

Monday, AM

Opening Session 8:30– 10:00

Mediterranean 1 & 2

Call to Order

Dr. Marquita Qualls, President, NOBCChE

Official Opening

Dr. Denise Barnes, Chairperson, Executive Board, NOBCChE Orlando City Officials

Welcome Keynote Speaker

Conference Overview

Dr. Shirley Weber, Professor of African Studies, Chair of Black Studies Department San, Diego State University, San Diego, CA Ms. Jacqueline Calhoun, NCPC, NIST

Closing Remarks

Dr. Marquita Qualls

9:00 A.M. – 5:00 P.M.

Monday, AM

Industrial Exhibits Set up

Henry Hill Lecture 10:15 - 11:45

Mediterranean 4 & 5

Mediterranean 1 & 2

Sponsored by the American Chemistry Society Northeast Section

Speaker: Dr. Willie E. May, Director, Chemical Science and Technology Laboratory National Institute of Standards and Technology, Gaithersburg, MD

13


PROGRAM SCHEDULE Monday, March 21(Cont.) American Chemical Society Luncheon Monday, PM Palazzo A-C 12:00 – 1:20 Speaker: Dr. William F. Carroll, Jr., President, American Chemical Society, Washington, DC

Teachers Workshop I Monday, PM 1:30 - 4:30 Del Lago 1 & 2 “Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

Moderator

Mrs. Linda Davis, Committee Action Program Services, Dallas, TX

Presenter

Module 1: Mr. James Kesseler, American Chemical Society

Monday, PM Session Chair

1:30 - 2:00

2:00 - 2:15

Technical Session 1:30 - 3:00 Atmospheric Chemistry I

Cordova 2

Dr. Vernon Morris, Department of Chemistry, Howard University Presenters ʺThe Reflections of Forty Years in Astrochemistry,ʺ William M. Jackson, University of California at Davis, Department of Chemistry, Davis, CA 95616.

ʺThe Airy Truth About Washington, DC: Spatio-Temporal Distribution of Particulate Matter Exposures In Washington, DC,ʺ Natasha A. Greene*I and Vernon R. Morris, Ph.D.I, II, Howard University, IProgram in Atmospheric Sciences, IIDepartment of Chemistry, Washington, DC 20059

2:15 - 2:45

ʺAerosol Measurements During the NCAS Trans-Atlantic Saharan Dust AERosol and Oceanographic Science Expedition (AEROSE),ʺ Vernon Morris, Howard University, Department of Chemistry and Graduate Program in Atmospheric Sciences, Washington, DC 20059

14


PROGRAM SCHEDULE Monday, March 21(Cont.) 2:45 - 3:00

Monday, PM

Session Chair 1:30-1:45

ʺIon Mobility Spectroscopy Measurements Of Atmospheric Ammonia,ʺ Latoya Myles , National Oceanic & Atmospheric Administration, Atmospheric Turbulence & Diffusion Division, Oak Ridge, TN, 37830, and Larry Robinson, Florida A&M University, Environmental Sciences Institute, Tallahassee, FL, Technical Session 1:30 - 3:00 Organometallic, Heterocyclic, and Polymer Organic Chemistry

Cordova 3

Dr. Lamont Terrell, GlaxoSmithKline, King of Prussia, PA Presenters ʺDivergence of Carbonyl Ylide Reactions as a Function of Diazocarbonyl Compound and Aldehyde Substituent – Dioxolanes, Dioxolenes, and Epoxides,ʺ Albert E. Russell,1 Jonathan Brekan,2 Luisa Gronenberg,2 and Michael P. Doyle*1,2 1Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, 20742 2Department of Chemistry, University of Arizona, Tuscon, Arizona 85721

1:45-2:00

ʺThe First General Enantioselective Catalytic Biginelli Reaction,ʺ John Mabry and Bruce Ganem*, Cornell University, Department of Chemistry and Chemical Biology, Baker Laboratory, Ithaca, NY 14853

2:00-2:15

ʺTransition Metal Catalyzed Oxidation Of Secondary And Benzylic Alcohols Using Nitrous Oxide,ʺ Salena R. Whitfield, Melanie S. Sanford* University of Michigan, Department of Chemistry, Ann Arbor, MI 48109

215-2:30

ʺSynthesis And Characterization Of A Library Of Amide Derivatives Of Podocarpic Acid For Cytotoxicity Studies,ʺ Nicole John, Raymond J. Butcher and Oladapo Bakare*, Department of Chemistry, Howard University, Washington DC 20059 ʺPentafluorophenylation Of Arenes And Heteroarenes,ʺ Happy Kinyili_, Yesol Huh, Joshua D. Lawrence and John F. Hartwig*, Yale University, Department of Chemistry, New Haven, CT 06520

2:30-2:45

15


PROGRAM SCHEDULE Monday, March 21(Cont.) 2:45-3:00

Monday, PM Session Chair

3:00-3:15

ʺSelective Photochemical Reactions Of Tetrahydro-1,4-Naphthoquinones In Nay Zeolites,ʺ Alvah Tyson Wickboldt*1and Thomas Poon2 1Claremont McKenna College, Story House, Box 1243, 742 N. Amherst Ave., Claremont, CA 91711; 2Thomas Poon, Joint Science Department, Claremont McKenna, Scripps, and Pitzer Colleges, Claremont, CA 91711 Technical Session 3:00 - 4:30 Environmental Chemistry

Cordova 2

Dr. Gloria Thomas, Chemistry Department, Mississippi State University, Mississippi State, MS Presenters ʺA Bathymetric Study Of Agricultural Surface Impoundments Along The Abrams Creek Watershed Within The Flint River Basin,ʺ Warren V. Carmichael Jr., Carol Forthman, Florida A&M University, Environmental Sciences Institute, Tallahassee, FL USA, Gary Mahon, Richard Marella, USGS-FISC Florida Integrated Science Center, Tallahassee, FL

3:15-3:30

ʺAnalysis Of Arsenic And Other Trace Metals In Drinking Water Through The Utilization Of ICP-MS,ʺ D’Vesharronne Moore [Presenter], NASA University Research Center, Texas Southern University, Houston, Texas 77004, Aref M. El-Demerdash, Department of Chemistry, TSU, Houston, TX, and Bobby Wilson, Environmental Research Technology and Transfer Center (ERT2C), TSU, Houston, TX

3:30-3:45

ʺColorimetric Determination Of Lead In Water At Howard University,ʺ Satara Brown [Presenter], Neil Gibson, J. Patrick Rogers & Charles M. Hosten*, Howard University Department of Chemistry, Washington, DC 20059 ʺPreliminary Analysis Of Vocs Present In Brazoria County Public Drinking Water,ʺ Lindsey Scott[Presenter], Jeremy Ross, Camisha Ruffins, NASA Summer Research Interns 2004, Andrea Oyewole, Dr. Renard Thomas, and Dr. Bobby Wilson, (Principal Investigator of ERT2C), Texas Southern University, Houston, Texas

3:45-4:00

16


PROGRAM SCHEDULE Monday, March 21(Cont.) 4:00-4:15

ʺA Field Study On Identification And Quantification Of Volatile Organic Compounds (Vocs) In Public Indoor Parking Facilities At Houston, Texas,ʺ Gabriel.A.Kristanto[Presenter], Renard Thomas, Felicia Conley, and Bobby Wilson, Environmental Toxicology Program, Chemistry Department, Texas Southern University, Houston-Texas

4:15-4:30

ʺAntioxidant Vs TNT Phytoremediation Potential Of Edible Plants, ʺ Lovell Agwarambgo1*[Presenter], Steven Larson2, Protiti Khan3 1Dillard University, Department of Chemistry; New Orleans, La 70122, 2U.S. Army Corps of Engineers, Waterways Experiment Station, Environmental Chemistry Branch, Vicksburg, MS, 3Current Address: University of Miami, Florida,

Monday, PM Session Chair

3:00-3:15

Technical Sessions 3:00 - 4:30 Polymer Chemistry I

Cordova 3

Dr. Malika Jeffries-El, Chemistry Department, CarnegieMellon University, Pittsburgh, PA Presenters ʺPatterning of DNA Microarrays on UV Photo-Activated PMMA for the Detection of Low Abundant Point Mutations in K-ras Genes,ʺ Catherine Situma , Mateusz Hupert and Steven A. Soper, Chemistry Department, Louisiana State University, Baton Rouge, LA

3:15-3:30

ʺIntegrating Polymer Based Microchip Electrophoresis To Online MALDI MS,ʺ Harrison K. Musyimi [Presenter], Jason Guy, Kermit K. Murray and Steven A. Soper, Chemistry Department, Louisiana State University, Baton Rouge, LA

3:30-3:45

ʺCarboxylate Functionalized Polythiophenes: as Biogenic Diamine Sensors,ʺ Toby L. Nelson [Presenter], Caroline OʹSullivan, John J. Lavigne,* University of South Carolina, Department of Chemistry and Biochemistry, Columbia, SC 29208

3:45-4:00

ʺPreparation And Investigation Of Polymeric Photovoltaic Cells,ʺ Kizzy Winston*[Presenter], Carl E Bonner Jr., Sam-Shajing Sun, and Cheng Zhang, Norfolk State University, Center for Materials Research, Norfolk, VA., 23504

17


PROGRAM SCHEDULE Monday, March 21(Cont.) 4:00-4:15

ʺSynthesis Of Water-Soluble N-Acyl Derivatives For Characterization As Bactericidal Agents,ʺ Lakia M. Champagne*[Presenter] and William H. Daly, Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803

4:15-4:30

"Polyurethane with Soft Segments Made from Replenishable Sources," George H. Armstrong*, Scharri J Ezell and Cedric L. Purnell, Tougaloo College, Chemistry Department, Tougaloo, MS 39260

4:30-4:45

ʺSwelling Kinetics of Biocompatible HPMA Hydrogels,ʺ Tedric D. Campbell and Oliver Steinbock,* Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306-4390

Monday, PM

Moderator

Professional Development Workshop 1 1:30 - 5:30 a) “Resume Writing Workshop” b) “Pre-Clinical Research & Development, An Overview of the Different Types of Scientists Who Work Together to Discover Medicines”

Del Lago 3 & 4

Dr. Rukeyser S. Thompson, Dow Chemical Company, Freeport, TX

Presenters a) Dr. Ron Webb, Senior Manager of Doctoral Recruiting, Procter & Gamble, Cincinnati, OH and Dr. John MacKinnon, Dow Chemical Company, Freeport, TX b) Dr. Sherrie Pietranico and Ms. Nicole Jackson, Hoffmann-La Roche Pharmaceuticals, Discovery Chemistry, Nutley, NJ 4:30 P.M. - 5:30 P.M.

Monday, PM

Industrial Exhibitors Meeting

ACS Distinguished Scientists Symposium 4:45 - 6:00 Sponsored by American Chemical Society

Speaker Professor Levi T. Thompson Chemical Engineering, University of Michigan

18

Mediterranean 3

Mediterranean 1 & 2


PROGRAM SCHEDULE Monday, March 21(Cont.) Monday, PM

NOBCChE Reception 6:00 - 7:30

Valencia Terrace

8:00 P.M. - 10:30 P.M.

Presidentsʹ Meeting

Del Lago 1 & 2

8:00 P.M. - 10:00 P.M.

Supported Students Meeting

Cordova 3

6:30 A.M. – 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:30 A.M. - 9:00 A.M.

Continental Breakfast

Palazzo A & B

7:00 A.M. - 4:30 P.M.

Registration

7:00 A.M. - 5:00 P.M.

Interview Rooms

Mediterranean Ballroom Foyer 1-3 Milagro Board Cordova 1 Amarante 1

Tuesday, March 22

Teachers Workshop II 8:00 - 4:30

Tuesday, AM

Del Lago 1 & 2

“Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

Moderator 8:45 A.M. - 9:00 A.M.

Mrs. Linda Davis, Committee Action Program Services, Dallas, TX Welcome Mrs. Linda Davis, Director, CAPS Dr. Marquita Qualls, NOBCChE President Dr. Denise Barnes, NOBCChE , Chairman of the Board Presenters

9:00 A.M. - 12:00 P.M.

Module 2: Dr. Howard Adams, H. G. Adams & Associates

12:00 - 1:30 P.M.

Lunch

19


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 1:30 P.M. - 4:30 P.M.

9:00 A.M. - 12:00 P.M.

Tuesday, AM

Moderator

Module 3: Ms. Yolanda George, American Association for the Advancement of Science Career Fair Set up

Mediterranean Ballroom 4 & 5

Professional Development Workshop 1 9:00 - 11:50 a) “Resume Writing Workshop” b) “Pre-Clinical Research & Development, An Overview of the Different Types of Scientists Who Work Together to Discover Medicines”

Del Lago 3 & 4

Dr. Rukeyser S. Thompson, Dow Chemical Company, Freeport, TX

Presenters a) Dr. Ron Webb, Senior Manager of Doctoral Recruiting, Procter & Gamble, Cincinnati, OH and Dr. John MacKinnon, Dow Chemical Company, Freeport, TX b) Dr. Sherrie Pietranico and Ms. Nicole Jackson, Hoffmann-La Roche Pharmaceuticals, Discovery Chemistry, Nutley, NJ

Tuesday, AM Session Chair

9:00-9:15

Technical Sessions 9:00 - 10:20 Polymer Chemistry II

Cordova 3

Dr. Alvin Kennedy, Morgan State University, Department of Chemistry, Baltimore, MD Presenters ʺEffects Of Temperature And Salinity On Films Prepared From Polyurethane Dispersions,ʺ Felicia C. Thadison*, Douglas A. Wicks The University of Southern Mississippi, School of Polymers and High Performance Materials, Hattiesburg, MS 39406.

20


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 9:15-9:30

ʺHyperbranched Fluoropolymer (HBFP), Poly (Pentafluorostyrene) (PPFS), And Linear Fluorinated Poly (Benzyl Ether)S: A Comparison Study Of Compositionally-Equivalent And Non-Equivalent Isomers For Elucidation Of The Roles Of Topology And Composition,ʺ Kenya T. Powell, Chakravarthy S. Gudipati, Jeremiah A. Johnson, Gerald O. Brown, and Karen L. Wooley*, Center for Materials Innovation and Department of Chemistry, Washington University, Saint Louis, MO 63130

9:30-9:45

ʺSynthesis and Solution Folding Characterization of ortho-Phenylene Ethynylene Oligomers,ʺ Ticora V. Jones and Gregory N. Tew*, University of Massachusetts, Amherst, Department of Polymer Science & Engineering, Amherst, MA 01003

9:45-10:00

ʺControlled Graft Copolymerization Of Guar Gum Utilizing Nitroxide Mediators,ʺ Veronica K. Holmes*, William H. Daly Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803

10:00-10:15

ʺSurface Structures And Properties Of Polystyrene/Poly (Methyl Methacrylate) Blends And Copolymers,ʺ William C. Johnson*, Jie Wang, and Zhan Chen, University of Michigan, Department of Chemistry, Ann Arbor, MI 48103

10:15-10:30

ʺEffect Of Stoichiometry On The Epoxy-Amine Polymerization Reaction Investigated With Dielectric Spectroscopy, Fluorescence Spectroscopy, Dsc And Gpc,ʺ Janine Nunes*, Alvin P. Kennedy, Solomon Tadesse, Morgan State University, Department of Chemistry, Baltimore, MD 21251

Tuesday, AM Session Chair

Technical Sessions 9:00 - 10:20 Modeling and Simulation Methods

Cordova 2

Dr. Jesse Edwards, Department of Chemistry, Florida A&M University Tallahassee, FL Presenters

21


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 9:00-9:12

ʺComputational Study Of Rhodopsin’s Photo Absorption Upon Site Directed Mutagenesis And Rhodopsin Counterion Switch Study,ʺ Grace T. Kalisha, Devon M. M. Philip, Jose Gascon, Victor S. Batista* Department of Chemistry, Yale University, P. O. Box 208107, New Haven, CT 06520

9:12-9:24

"A Theoretical Study To Predict The Optical Properties Of Rhodamine 6G," AlTrev C. Sykes, Vladimir I. Gavrilenko, and Suely M. Black*1,2 Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA 23504

9:24-9:36

ʺStructural And Theoretical Study Of Berberine Hemisulfate By Nmr And Computational Chemistry,ʺ Sharon Hurley*, Ming-Ju Huang, Ken S. Lee, Jackson State University, Jackson, MS 39217

9:36-9:48

ʺMolecular Boxes As Storage Containers For H2,ʺ Bryant P. Suitte*, Stephen D. Belair and Joseph S. Francisco, Purdue University, Department of Chemistry and Department of Earth and Atmospheric Science, West Lafayette, IN 47906

9:48-10:00

ʺDimethyl Ether Oxidation At Elevated Temperatures,ʺ Claudette M. Rosado-Reyes*, and Joseph S. Francisco, Purdue University, Department of Chemistry and Department of Earth and Atmospheric Science, West Lafayette, IN 47906, and Joseph J. Szente, M. Matti Maricq, and Lars Froesig Oestergaard, Research Laboratory, Ford Motor Company, P.O. Box 2053, Drop 3083, Dearborn, MI 48121

10:00-10:12

ʺThe Ionization Potentials and Electron Affinities of the 3d-Block Transition Metals using Quantum Monte Carlo Methods,ʺ Ainsley A. Gibson, Gordon J. P. Taylor and John A.W. Harkless, Howard University, Department of Chemistry, Washington, DC 20059

10:12-10:24

ʺTheoretical Investigation Of Band Gaps Of Alkyloxy Derivatized Polyphenylenevinylene (PPV) For Organic Photovoltaic Applications,ʺ Anuoluwa Bamgbelu and Suely M. Black*1,2, Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA 23504

22


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) Tuesday, AM Session Chair Presenters 10:30-10:45

Technical Sessions 10:30 - 11:50 Modeling and Simulation Methods

Cordova 2

Dr. John Harkless, Howard University, Department of Chemistry, Washington, DC ʺComputational Fluid Dynamics Simulation of Pulsatile Blood Flow Through Left Coronary Artery,ʺ Sahid Smith, Shawn Austin, Florida A&M University, Department of Chemical Engineering and Biomedical Engineering, Tallahassee, FL 32310, and G. Dale Wesson*, Florida A&M University, Biological and Agricultural Systems Engineering Program, Tallahassee, FL 32307

10:45-11:00

ʺQSAR of The Anticonvulsant Enaminones; Molecular Modeling Aspects and Other Assessments,ʺ Tiffany L. Wilson1, Patrice L. Jackson1 Clive D. Hanson1 Z. Xue2, Natalie D. Eddington3, and Kenneth R. Scott*1 1Department of Pharmaceutical Sciences, Howard University, School of Pharmacy, Washington, DC 20059, 2Center of Minority Health Services Research, Howard University, School of Pharmacy, Washington, DC 20059, 3Pharmacokinetics- Biopharmaceutics Laboratory, Department of Pharmaceutical Sciences, School of Pharmacy, University ofMaryland, Baltimore, MD 21202

11:00-11:15

ʺSolvation Studies of Anti-tumor Prodrugs,ʺ 1Michael A. Cato*, 1Jesse Edwards, 2Henry J. Lee, 2Zhengqing You, Department of Chemistry/ AHPCRC, College of Pharmacy and Pharmaceutical Sciences, Florida A&M University Tallahassee, FL, USA 32307

11:15-11:30

ʺActive-Site Inhibitor Modeling Using A Customized Hiv-Protease Peptide,ʺ Deborah J. Bryan*, John West, Jesse Edwards, Department of Chemistry/AHPCRC, Florida A&M University Tallahassee, Florida, and Ben M. Dunn, Department of Molecular Biology and Biochemistry, University of Florida, Gainesville, Florida, USA 32608

11:30-11:45

ʺIdentification And Investigation Of Small Molecules That Bind Stem Loop 3 Of The Ψ-Rna Recognition Element Of Hiv-1 Virus,ʺ Douglas M. Warui and Anne M. Baranger*, Wesleyan University, Department of Chemistry, Middletown, CT, 06459.

23


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 11:45-12:00

Tuesday, AM

ʺDensity Functional Study of the Structural Properties of Ascorbic Acid (Vitamin C),ʺ R.N. Allen*, M.K. Shukla, Demarcio Reed and Jerzy Leszczynski, Jackson State University, Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson, 39217 MS

Technical Sessions 10:30 - 11:50 Atmospheric Chemistry II

Cordova 3

Session Chair Dr. Joseph Francisco, Purdue University, Department of Chemistry, West Lafayette, IN Presenters 10:30-11:00 ʺStudies Of The Uptake Of An Organic Compound Onto Atmospheric Aerosols,ʺ Kyana D. Stewart and Jean M. Andino*, University of Florida Department of Environmental Engineering Sciences, Gainesville, FL 32611 11:00-11:15

ʺOzone And CO Observations During The NCAS Trans-Atlantic Saharan Dust AERosol And Ocean Science Expedition,ʺ Michelle D. Strachan*1 and Vernon R. Morris 1,2, Howard University, 1Program in Atmospheric Sciences, 2Department of Chemistry, Washington, DC 20059

11:15-11:45

ʺInteraction Between Atmospheric Radicals and Cloud Droplets: A Molecular Picture of the Interface,ʺ J. S. Francisco, Q. Shi, S. D. Belair, S. Kais, Department of Chemistry, Purdue University, West Lafayette, IN 47907

Tuesday, Noon

Luncheon 12:00 – 1:20

Speaker:

Dr. Pamela McCauley-Bell, Associate Professor of Industrial Engineering and Management Systems, University of Central Florida Orlando, FL

1:30 P.M. - 5:00 P.M.

Career Fair (Open to Public) 24

Palazzo A - C

Mediterranean 4 & 5


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) Tuesday, PM

Professional Development Workshop 2 3:30 - 5:00

Del Lago 3 & 4

“Business Essentials for Successful Innovation” Instructors: Dr. Chris Hollinsed, DuPont Company, Wilmington, DE Dr. Edward Yokley, Executive Vice President & Founder, Spherical Dynamics Inc Professional Development Workshop 3 Tuesday, PM 3:30 - 5:00 Cordova 2 “Government & Academic Opportunities: Funding Opportunities and Strategies” Moderator

3:30-3:43

Murphy J Keller III, United States Department of Energy, National Energy Technology Laboratory, Pittsburgh, PA Presenters ʺThe Lawrence Livermore National Laboratory Research Collaborations Program for Historically Black Colleges and Universities & Minority Institutions,ʺ Kennedy J. Reed, Lawrence Livermore National Laboratory, Livermore, CA 94550

3:43-3:55

ʺStudent, Graduate, and Faculty Research Opportunities at Pacific Northwest National Laboratory,ʺ Kelly O. Sullivan, Ph.D., Pacific Northwest National Laboratory, Richland, WA 99352.

3:55-4:05

ʺNational Energy Technology Laboratory – Minority Mentoring & Internship Program (MMIP),ʺ Murphy J Keller III*, United States Department of Energy, National Energy Technology Laboratory, Pittsburgh, PA

4:05-4:15

ʺStudies of Carbon Dioxide Sorption on Coals via Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy,ʺ Ryan N. Favors1,2, Megan M. Hill1,3, and Angela L. Goodman*1, 1National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236. 2Purdue University, Chemistry Department, West Lafayette, IN 47907. Indiana University, Department of Geological Sciences, Bloomington, IN 47405.

4:15-4:20

BREAK

25


PROGRAM SCHEDULE Tuesday, March 22 (cont) 4:20-4:35

ʺSounding the HORN of Science: Helping Others Realize the Necessity,ʺ Rosalie A. Richards1, 2, 1The Science Education Center, Georgia College & State University, Milledgeville, GA 31061, 2Department of Chemistry & Physics, Georgia College & State University, Milledgeville, GA 31061

4:35-4:50

ʺResearch and Study Abroad in East Africa: A Rewarding Scientific and Cultural Experienceʺ, Dr. Isai T. Urasa, Hampton University, Department of Chemistry, Hampton VA 23668

4:50-5:05

ʺFirst Line Supervision: Identifying Challenges and Employing Strategies to Develop a Winning Teamʺ, Deborah C. Allen, Drug Enforcement Administration, Mid-Atlantic Laboratory, Largo, MD 20706

4:30 P.M. - 5:00 P.M.

Poster Session Set up

Mediterranean 1 & 2

6:30 P.M. - 7:30 P.M.

GEM Fellowship Process - Graduate School

Mediterranean 1-3

Tuesday, PM

Exhibitor Mixer/Poster Session 5:00 - 6:30

Mediterranean 1 & 2

Posters (ʺTitle,ʺ Presenter, Co-Author(s), Affiliation 1

ʺMicrowave Synthesis Of Heptamethine Cyanine Dyeʺ Ashley Kennedy* and Dr. Angela Winstead Morgan State University, Department of Chemistry, Baltimore, MD, 21251

2

ʺA Spectroscopic Study Of Uv And Electroyte Effects On Α-Crystallin Configurationʺ Artrease L. Spann*, Lisa B. Hibbard Department of Chemistry,Spelman College, Atlanta, Georgia 30314

3

ʺSpectroscopic Characterization of Water-Soluble Iron-Porphyrinsʺ Marguerite Matthews, Natarajan Ravi, Ph.D., and Albert N. Thompson, Jr., Ph.D. Spelman College, Department of Chemistry, Atlanta, GA 30314

26


PROGRAM SCHEDULE Tuesday, March 22 (cont) 4

ʺInvestigation of Tanzanian Hugonia busseana As An Antidiabetic Agentʺ Bettina Applewhite1, Isai Urasa1, Cosam Joseph2, and M.J. Moshi*3 1Hampton University, Department of Chemistry, Hampton, VA 23668, 2University of Dar es Salaam, Department of Chemistry, Dar es Salaam, Tanzania, 3Institute of Traditional Medicine, Muhimbili College of Health Sciences, Dar es Salaam, Tanzania

5

ʺTheoretical Design Of Organic Electron-Donor Polymer For Solar Cell Applicationʺ Brandy Langston1 and Suely M. Black*1,2, Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA, 23504

6

ʺPatterning of DNA Microarrays on UV Photo-Activated PMMA for the Detection of Low Abundant Point Mutations in K-ras Genesʺ Catherine Situma, Mateusz Hupert and Steven A. Soper Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803

7

ʺStrong Cationic Exchange Resins Used In The Determination Of Atrazine And Selected Respective Metabolitesʺ Cierra C. Cross*, Eric D. Conte, Department of Chemistry, Western Kentucky University,1 Big Red Way, Bowling Green, KY 42101

8

ʺThe Key to Unlock The Navier-Stokes Equationʺ Cheri’ West and Dave Retzloff, Prairie View A&M University, Beaumont, TX,

9

ʺSouthern University at New Orleans Program of Excellence in Science, Mathematics and Computer Technology (PESMaCT)ʺ Carl P. Johnson,* Joe Omojola and Henry L. Hardy, Southern University, PESMaCT, New Orleans, LA 70126

10

ʺNutritional Supplement Chromium Picolinate Generates Chromosomal Aberrationsʺ Dontarie M. Stallings*, Dion D. D. Hepburn, John B. Vincent, and Janis O’Donnell, The University of Alabama, Departments of Chemistry and Biological Sciences and Coalition for Biomolecular Products, Tuscaloosa, AL 35487

27


PROGRAM SCHEDULE Tuesday, March 22 (cont) 11

ʺEffects Of Chromium Nutritional Suppliments And Their Components On Longevity And Progeny Development In Drosophila Melanogasterʺ Dontarie M. Stallings*, Meredith Hannah, Janis O’Donnell, and John B. Vincent, The University of Alabama, Departments of Chemistry and Biological Sciences and Coalition for Biomolecular Products, Tuscaloosa, AL 35487

12

ʺVortex Tube Separationʺ Edgar S. Whitby III*, and Dr. Reginald Parker, Industrial and Manufacturing Engineering, Materials and Environmental Technologies Assessment Laboratory, Florida A&M-Florida State College of Engineering, Tallahassee, Fl 32310

13

ʺAlkaloid Analysis of Red Bull As A Stimulantʺ Evelyn A. Wolfe, Ph.D.*, Belinda Thomas , Tricia Edmund, St. Francis College, Chemistry & Physics Department, Brooklyn Heights, New York 11201

14

ʺDetermining Salt Effects On DNA Oligonucleotides By Measuring Preferential Interaction Parameterʺ Erica R. Bush* and Alison Williams, Princeton University, Department of Chemistry, Princeton, NJ 08544

15

ʺEvaluation of Micelle Formation of Biodegradable PEO-PLA star Copolymer in Aqueous Solutionʺ LaTisha E. Salaam, Terry L. Bray, , University of Alabama at Birmingham, Department of Biomedical Engineering, Birmingham, AL 35294

16

Electronic Properties of 3d- Block Transition Metals: A DFT Study Gordon Taylor, Ainsley Gibson, John Harkless, Howard University, Department of Chemistry, Washington, DC 200059

17

ʺSynthesis And Characterization Of Salicylidene Derivatives Chemosensorsʺ Gilbert Maina Wairia*, Dr Yousef Hijji, Morgan State University, Chemistry Department, Baltimore, MD, 21251.

18

ʺPreparation of ‘Green’ Ionic Liquids and Evaluate The Enzyme Stability in Ionic Liquidsʺ LaDena A. Holley, Terra E. Person, Rasheed A. Lawal, Artez L. Sims, Olarongbe Olubajo and Hua Zhao*, Savannah State University, Chemistry Program, Department of Natural Sciences and Mathematics, Savannah, GA 31404

28


PROGRAM SCHEDULE Tuesday, March 22 (cont) 19

ʺThe Influence Of Physical Properties On The Temperature Difference Between Immiscible Liquids During Microwave Heatingʺ Havilah C. Gates*, and Dr. Alvin P. Kennedy, Morgan State University, Chemistry Department Baltimore, MD 21251

20

ʺSynthesis Of Imidazolium Salts For Use In High Temperature Nanocompositesʺ J. Langat, A. Hudrlik, P. Hudrlik and D. Raghavan, Howard University, Department of Chemistry, Washington, DC 20059

21

ʺReactivity Studies of o-Benzynes Toward Nucleic Acid Components Using The Distonic Ion Approach and FT-ICRʺ Karinna Campbell*, John J. Nash and Hilkka I. Kenttämaa, Purdue University, Department of Chemistry, West Lafayette, IN 47907

22

ʺStudies of Violet Dye Production by Marine Fungus from Tanzaniaʺ Kia Walcott, Isai T. Urasa, and K. M. M. Hosea, Hampton University, Department of Chemistry, Hampton, VA 23668

23

ʺEvaluation Of The Fate Of RDX In Soils And Plants:ʺ Lovell Agwaramgbo1*, Steve Larson2, Victor Medina2 and Lynn Escalon2, 1Dillard University; Department of Chemistry; New Orleans, La 70122, 2U.S. Army Corps of Engineers, Waterways Experiment Station, Environmental Chemistry Branch, Vicksburg, MS.

24

Synthesis And Study Of A Naphthacenedione (TQ) Derivative To Study The Effect Of Minor Groove Binders On Charge Migration Though DNA Lezah W. Roberts and Gary B. Schuster*, Georgia Institute of Technology, Department of Chemistry and Biochemistry, Atlanta, GA 30332

25

ʺTransient And Dynamic Viscoelastic Behavior Of Polyproylene/Layered Silicate Nanocompositesʺ Mohamed Abdalla, Moncy Jose, Keith Green and Derrick Dean*, University of Alabama at Birmingham, Department of Materials Science and Engineering, Birmingham, AL 35294, and Graig Williams, Tuskegee University, Department of Mechanical Engineering and Center for Advanced Materials, Tuskegee, AL 36088

26

ʺOptic Nerve Injury and Neuroprotection In The Cat Thalamusʺ Magan N. Butler-Coleman*, Christine Harman, and Arthur J. Weber, Ph. D., Michigan State University, Department of Physiology, East Lansing, MI 48824 29


PROGRAM SCHEDULE Tuesday, March 22 (cont) 27

ʺSpectroscopic Studies Of Liquid Solutions Of Pyridoxalideneasparginate Of Europium And Silver Nanoparticle Aggregatesʺ Martin J. Codrington, Morgan State University, Department of Chemistry, Baltimore, MD 21251, and C. Davison, G. Zhu, M. Bahoura, M. A. Noginov*, Norfolk State University, Center for Materials Research, Norfolk, VA 23504

28

ʺIs One Molecule Enough? Influence Of Intermolecular Interactions In Urea Clusters On (Hyper)Polarizabilitiesʺ Mary L. Williams1 and Suely M. Black*1,2 , Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA 23504

29

ʺThe Microwave Synthesis of Substituted and Unsubstituted Enaminonesʺ Melvin Bolden* Dr.Yousef Hijji, Morgan State University, Chemistry Department, Baltimore, MD, 21251

30

ʺThe Effect Of Butylmethylimidazolium Chloride On RNA Functionʺ Naomi F. Campbell* and Stephanie Nemeth, Jackson State University, Department of Chemistry, Jackson, MS 39217, and Aisha Robinson, University of South Alabama, Department of Chemistry, Mobile, AL 36688

31

ʺMorphology And Release Profiles Of Biodegradable Microparticles Containing Rhamnolipid Biosurfactantʺ Natasha D. Henry*a, Michael Abazingea, Elijah Johnson, Florida A&M University, Environmental Sciences Institute, Tallahassee, Fl 32307, and Tanise Jackson, Florida A&M University, College of Pharmacy and Pharmaceutical Sciences, Tallahassee, Fl 32307

32

ʺSynthesis Of Amphiphillic Pyrrole Monomer: (12-Pyrrol-1-Yldodecyl) Triethylammonium Tetrafluoroborateʺ Nnamdi Ofoegbu* and Dr Yousef Hijji, Morgan State University, Baltimore MD21251, and Dr. Estelle Gauda, Johns Hopkins Medical Institutions, Baltimore, MD 21218

33

ʺOptimization Of Quaternary Salt Synthesisused In Heptamethine Cyanine Dyeʺ Nicole B. Fleming* and Dr. Angela Winstead, Morgan State University, Department of Chemistry, Baltimore, MD 21251

30


PROGRAM SCHEDULE Tuesday, March 22 (cont) 34

ʺStudies of Carbon Dioxide Sorption on Coals via Attenuated Total ReflectanceFourier Transform Infrared Spectroscopyʺ Ryan N. Favors1,2, Megan M. Hill1,3, and Angela L. Goodman*1, 1National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, PA 15236; 2Purdue University, Chemistry Department, West Lafayette, IN 47907. 3Indiana University, Department of Geological Sciences, Bloomington, IN 47405.

35

ʺThe Synthesis of P-Nitrophenyl-Alpha-D-Mannopyranoside-6-EthlyPhosphateʺ Shane L. Glasgow, Benedict College, Columbia, SC 29204

36

ʺModeling of Interfaces: Adsorption of 2-Methyl-4-Nitroaniline on HydrogenTerminated Si (100) 2x1 Surfaceʺ Sheena M. Inge and Suely M. Black*1,2, Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA. 23504

37

ʺTeaching and Mentoring Training Programs at Michigan State University: A Doctoral Student’s Perspectiveʺ Tylisha M. Baber*, Daina Briedis, and Mark Worden, Michigan State University, Department of Chemical Engineering & Materials Science, East Lansing, MI 48824

38

ʺThe Purification of PRMT1ʺ Tremane Bartley, Benedict College, Columbia SC 29204, and Paul Thompson*, Tanesha Osbourne, and Sean Courtney, University of South Carolina, Department of Chemistry and Biochemistry, Columbia SC 29208

39

ʺElectron Transfer In Quadruplex DNAʺ Thabisile S. Ndlebe*, Gary B. Schuster, Georgia Institute of Technology, School of Chemistry and Biochemistry, Atlanta, GA 30332

40

ʺTransparent Conducting Thin-Films Made From Polymers Doped With Carbon Nanotubesʺ 1T. Simeon, 1T. Holmes, 2B. Mosley, 1G. Hill, 1J. Leszczyski and 2Q. Williams*, Jackson State University Department of Chemistry1, Department of Physics2, Jackson, MS 39206

31


PROGRAM SCHEDULE Tuesday, March 22 (cont) 41

ʺDetection Of Intracellular Injury Within Isolated Neutrophil Populations Using Fluorescent Microsensors.ʺ Colette Ntam1, Mike Baker1, Ashley Kennedy2, Angela Winstead2, Richard Williams2 and Dwayne Hill*1, Morgan State University, Department of Biology1 and Department of Chemistry2, Baltimore, Maryland 21251

42

ʺBioconversion Of Corn Stover Pyrolysates Using A Coculture Of Thermotoga Martima And Methanococcus Jannaschiiʺ T. Akim Nilausen*, Stephen Fischer, Dr. Tonya L. Peeples, University of Iowa, Department of Chemical and Biochemical Engineering, Iowa City, IA 52242

43

ʺElectrochemical Oxidation Of Methanol With Homogeneous And Supported Ru/Sn Complexesʺ Corey R. Anthony and Lisa McElwee-White*, University of Florida, Department of Chemistry, Gainesville, FL 32611-7200

44

ʺPreparation of Transparent Yttrium Aluminum Garnet (Y3Al5O12, YAG) Ceramics from Commercial Y2O3 and Al2O3 Powders by Vacuum Sinteringʺ Kewanza Q. Williams1*, Ren-Guan Duan, Ph.D.2, 1Tougaloo College, Tougaloo, MS 39174, 2Center for Materials Research, Norfolk State University, Norfolk, VA 23504

45

ʺPreparation of Ionic Liquids as Alternative Solvents for Organic Synthesesʺ Carey Dillard*1 , Elke Schoffers2, 1Tougaloo College, Tougaloo, MS 39174, 2Western Michigan University, Department of Chemistry, Kalamazoo, MI 49008

46

ʺSynthesis, Characterization and Supramolecular Studies of Large-Cavity Amine Calixarene Compoundsʺ Nikki-Giovanni M. Joseph and Carl P. Johnson*, Southern University at New Orleans, Department of Chemistry, New Orleans, LA 70127

47

ʺSynthesis, Characterization, and Supramolecular Studies of Large-Cavity Sulfonated Calixarene Compoundsʺ Harry Eba Tabi and Carl P. Johnson*, Southern University at New Orleans, Department of Chemistry, New Orleans, LA 70127

32


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 48

ʺPoly (Ethylene-Co-Methacrylic Acid)/[Silicate-Titanate] Stimuli-Responsive Nanocomposite Powder Coatingsʺ Mary R. Moore* and Kenneth A. Mauritz, , University of Southern Mississippi, School of Polymers and High Performance Materials, Hattiesburg, MS 39406

49

ʺMolecular Mechanics Description of Cytosine Energy and Geometry Using Preliminary ab initio Resultsʺ T. Robinson c ,V.I.Poltev a,b, E.Gonzalez a, A.S.Deriabina a, L.Lozano a, A. Martinez a, L.Gorb c, J.Leszczynski c a Physics and Mathematics Department, Puebla Autonomous University, Puebla, 72570, Mexico b Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow Region, 142290 Russia c Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, 39217 MS, USA

50

ʺSolvation Studies of Several Non-Steroidal Anti-Inflammatory Compoundsʺ 1Jessica Hardaway*, 1, 2Bereket Mochona, 2Kinfe K. Redda, 1Jesse Edwards, Florida A&M University, 1Department of Chemistry, 2College of Pharmacy and Pharmaceutical Sciences, Tallahassee, FL, USA 32307

51

ʺMolecular Dynamic Studies of Derivatives of the XI5 HIV-1 Protease Inhibitorʺ M. Buckles,* and J. Edwards, Florida A & M University, 1Department of Chemistry/AHPCRC, Tallahassee, FL, 32307

52

ʺDFT Study on the Reaction Mechanism of the 1, 3-Dipolar Cycloaddition Between Ethene and Nitrile Oxideʺ 1Jason Ford-Green, 1Ayourinde Hassan, 1Yinghong Sheng, 1Jerzy Lesczcynsky, Jackson State University, 1Department of Chemistry, Jackson, MS 39217

53

ʺEffects of Solvent on HIV Protease Foldingʺ C. D. Eybl,* 2J. Edwards, Florida A & M University, 1College of Pharmacy and Pharmaceutical Sciences/AHPCRC, 2Department of Chemistry/AHPCRC, Tallahassee, FL 1

33


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 54

ʺDeveloping QSAR Studies of Several Non-Steroidal Anti-Inflammatory Compounds ʺ 1Chezney Woodfaulk*, 1, 2Bereket Mochona, 2Kinfe K. Redda. 1Jesse Edwards, Florida A&M University, 1Department of Chemistry, 2College of Pharmacy and Pharmaceutical Sciences, Tallahassee, FL, 32307

55

ʺTheoretical Study of Interactions of Guanine with Na+ Cation and Water Moleculeʺ C. C. Watts*, A. Michalkova, J. Leszczynski, Jackson State University, Department of Chemistry, Jackson, MS 39217

56

ʺDetermination Of Octanol-Water Partition Coefficient From Chemical Potential Calculationsʺ Harsh Jain* and Elijah Johnson, Florida A&M University, Environmental Sciences Institute, Tallahassee, FL-32307

57

ʺTransition Metal-Catalyzed Hydrostannation Reactions With In Situ Generated Tin Hydrideʺ Jennifer L. Weekes, Banibrata Ghosh, William P. Gallagher, Amy L. Szmanski, Anna J. Foster,and Robert E. Maleczka Jr.*, Department of Chemistry, Michigan State University, East Lansing, MI 48824

58

ʺDesign And Synthesis Of New Dual-Acting Antimalarial/ Antileishmanial Antiparasitic Agents Based On Artemisininʺ Tuwanda Simmons,* Mitchell A. Avery, Kannoth M. Muraleeharan, Rani B. Menon, and Anuradha Illendula, Department of Medicinal Chemistry, University of Mississippi, University, MS 38677

59

ʺAnalysis Of The Effect Of Sodium Nitroprusside On The Heart Rate With Hilbert Transformʺ Ernest D. Rufus1,2,4, Scott D. Crymble2,4, Devkant S. Gandhi2,4, Benjamin P. Hartenbower2,4, Adrienne R. Minerick3,4, Ph.D., Robert E. Meyer5, D.V.M., A.C.V.A., 1 Conference Presenter, 2 Principal authors, 3 Principal Investigator, 4 Mississippi State University, Dave C. Swalm School of Chemical Engineering, Mississippi State, MS 39762. 5 Mississippi State University, College of Veterinary Medicine, Mississippi State, MS 39762

34


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 60

61

62

63

ʺSynthesis And Characterization Of Novel Indazole-4,7-Dione Derivatives As Potential Anticancer Agentsʺ Solomon Berhe, and Oladapo Bakare*, Department of Chemistry, Howard University, Washington, DC 20059 ʺThe Effects Of Monomeric Functionality And Composition On Properties Of Thiol-Ene Filmsʺ Tolecia Clark 1, Charles Hoyle*2, Sergei Nazarenko2, Brian Olson2, Luke Kwisnek3 1 University of Southern Mississippi, Dept. of Chemistry and Biochemistry, Hattiesburg, MS 39406, 2 University of Southern Mississippi, Dept. of Polymer Science, Hattiesburg, MS 39406. 3 Pennsylvania State University, Plastics Engineering Technology, Erie, PA 16510 "Optimization Of Insitu Chemical Oxidation Via The Elucidation Of Key Mechanistic Processes Impacting Technology Maturation And Development Of Effective Application Protocol," Krystle D. Roberts, Dr. Mark E. Zappi*, John M. Harden, Dr. W. Todd French Mississippi State University Environmental Technology Laboratory, Dave. C. Swalm School of Chemical Engineering, Mississippi State, MS, 39762 ʺIsothiocyanates as Natural Mechanism-Based Inhibitors for Chemoprevention,ʺ Tiffany Taylor1, Jerlinda Ross2, Pamela M. Leggett-Robinson*1, Monica Frazier*2, and Roberta Troy*3 1Department of Chemistry, Tuskegee University, Tuskegee, AL 36088; 2Center for Biomedical Research/RCMI, Tuskegee University, Tuskegee, AL 36088; 3Department of Biology, Tuskegee University, Tuskegee, AL 36088

64

ʺModification of Carbon Nanotubes Using Primary Alcohols,ʺ Jerlinda Ross1, Pamela M. Leggett-Robinson*1, Mohamed A. Abdalla2 and Derrick Dean*2, 1Department of Chemistry, Tuskegee University, Tuskegee, AL 36088; 2Department of Materials Science and Engineering, University of Alabama at Birmingham, Birmingham, AL

65

ʺMetal(I) and Metal(II) Complexes of a New Water-Soluble Porphyrin,ʺ Lee Jackson, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo and George N. Williams, Savannah State University, , Department of Natural Sciences and Mathematics, Savannah, GA 31404

35


PROGRAM SCHEDULE Tuesday, March 22 (Cont.) 66

ʺMetal Ions Interactions with Sulfonated Meso- Tetrakis (1,4-Benzodioxanyl) Porphyrin,ʺ Shannon Watts, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo and George N. Williams, Savannah State University, Department of Natural Sciences and Mathematics, Savannah, GA 31404

8:00 P.M. - 11:30 P.M.

NOBCChE Night Out at Cirque du Soleil ʺLa Noubaʺ @ Disneyworld

Wednesday, March 23 6:30 A.M. – 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

Wednesday, AM

Forensic Workshop 7:00 - 8:30

Cordova 2

7:30 A.M. – 9:00 A.M.

Continental Breakfast

Palazzo A & B

7:30 A.M. - 8:30 A.M.

Registration

7:00 A.M. - 5:00 P.M.

Interview Rooms

Mediterranean Ballroom Foyer 1-3 Milagro Board Cordova 1 Amarante 1

Wednesday, AM

Teachers Workshop 8:00 - 4:30

Del Lago 1 & 2

“Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

Moderator

Mrs. Linda Davis, Committee for Action Program Services, Dallas, TX Presenters

9:00 A.M. – 12:00 P.M.

Module 4: Dr. Sandra McGuire, Louisiana State University

12:00 – 1:30 P.M.

Lunch

1:30 P.M. – 4:30 P.M.

Module 5: Ms. Sherri Klug, Arizona State University/Mars Education Program 36


PROGRAM SCHEDULE Wednesday, March 23 (Cont’d) General Session 8:30– 10:15

Wednesday, AM

Mediterranean 1 & 2

Call to Order

Dr. Denise Barnes, Chair, Executive Board, NOBCChE

Presidentʹs Report

Dr. Marquita Qualls, President, NOBCChE

Chairmanʹs Report

Dr. Denise Barnes

Elections Report

Mr. Perry Catchings,

Announcement and Updates Closing Remarks 10:15 A.M. - 4:30 P.M.

Wednesday, AM

Ms. Jacqueline Calhoun, NCPC, NIST Dr. Denise Barnes

Registration

Mediterranean Ballroom Foyer 1-3

Percy L. Julian Lecture 10:30 - 11:45

Mediterranean 1 & 2

Dr. James H. Wyche Professor of Biology, College of Arts and Sciences, and Molecular Pharmacology, School of Medicine University of Miami, Coral Gables, FL 10:30 A.M. - 5:00 P.M.

Career Fair

Mediterranean Ballroom 4&5

Percy L. Julian Luncheon Wednesday Noon Speaker:

12:00 – 1:30

Palazzo A - C Dr. James M. Turner, Assistant Deputy Administrator For Nuclear Risk Reduction, National Nuclear Security Administration, US DOE, Washington, DC

37


PROGRAM SCHEDULE Wednesday, March 23 (Cont.) NOBCChE - Rohm and Haas Wednesday, PM Moderator

Undergraduate Research Competition 2:00 – 4:00

Cordova 2

Mr. Vere O. Archibald, Rohm and Haas Company Presenters

ʺCharacterization and Kinetic Study of the Molybdenum Trioxide (MoO3) Species Using FT-IR and FT-NMR Spectroscopy,ʺ Olivia Penrose and Kenneth W. Hicks*, Norfolk State University, Department of Chemistry, Norfolk, VA ʺControlled Delivery of CNTF Using Biodegradable Polymeric Nanospheres,ʺ Michael Nkansah, Sara Royce, and Erin Lavik*, Department of Biomedical Engineering, Yale University, New Haven, CT 06520 ʺSelf-Assembled Nanotubes of Cyclic Ureas and Their Host/Guest Properties,ʺ Stevan Samuel, University of South Carolina , Department of Chemistry and Biochemistry, Columbia, SC ʺThe Essential Ingredients For A Potential Cancer Buster,ʺ Philip O. Eck, Oberlin College, Department of Chemistry & Biochemistry, Oberlin, OH 44074, and Abby Maranda, Anja C. Gemperli, and Alanna Schepartz*, Yale University, Department of Biomedical Engineering, New Haven, CT06520 4:30 P. M. – 5:30 P. M. Regional Meetings Northeast Cordova 2 Southeast

Cordova 3

Midwest

Cordova 4

Southwest

Amarante 2

West

Amarante 3

5:30 P.M. – 8:30 P.M.

Secondary Studentʹs Rap Session

Mediterranean 3

5:30 P.M. – 7:00 P.M.

National Science Foundation Reception

Mediterranean 1 & 2

Sponsored by NSFʹs Divisions of Chemistry, Materials, and Chemical and Transport Systems

38


PROGRAM SCHEDULE Wednesday, March 23 (Cont.) NOBCChE Health Forum Wednesday, PM

7:00 – 8:30

Mediterranean 1 & 2

Sponsored by Eli Lilly And Company

Moderator

Dr. Ronald D. Lewis, II, Chair, 2005 NOBCChE Health Symposium, Senior Scientist, Discovery Partners Int’l, Inc.

Panelists Betty S. Pace, MD, Co-Chair, 2005 NOBCChE Health Symposium, Associate Professor, University of Texas at Dallas, Department of Molecular and Cell Biology Kwaku Ohene-Frempong, MD, Director, Children’s Hospital of Philadelphia, Comprehensive Sickle Cell Center, The Childrenʹs Hospital of Philadelphia Vence Bonham, Jr. JD, Associate Investigator, National Human Genome Research Institute, Social and Behavioral Research Branch, Chief, Education and Community Involvement Branch Questions and Answers Open Floor Closing Remarks

Dr. Ronald D. Lewis, II

Thursday, March 24 6:30 A.M. – 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

7:00 A.M - 8:00 A.M. 7:00 A.M. - 8:00 A.M.

La Serena Board Mediterranean 2 & 3

7:00 A.M. - 5:00 P.M.

Executive Board Meeting Science Fair Set-up Junior & Senior Division Interview Rooms

7:30 A.M. - 9:00 A.M.

Continental Breakfast

7:30 A.M. - 4:30 P.M.

Registration

Milagro Cordova 1 Amarante 1 Palazzo A & B Mediterranean Ballroom Foyer 1-3

39


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 8:00 A.M. - 12:00 P.M.

Elementary School Science Fair Exhibit

Mediterranean 1

8:30 A.M. - 11:30 A.M.

Poster Session Viewing

Mediterranean 4 & 5

9:00 A.M. - 12:00 P.M.

Career Fair

Mediterranean Ballroom 4 & 5

Professional Development Workshop 4 9:00 - 10:50

Thursday, AM

Del Lago 1 & 2

“Strategies for Job and Career Transitioning” Instructor

Dorothy Rodmann, Career Consultant, American Chemical Society Washington, DC

9:00 A.M. - 11:50 A.M

Science Fair Judging Junior Division Senior Division

Thursday, AM Session Chair Presenters 9:00-9:15

9:15-9:30

Technical Sessions 9:00 - 11:00 Engineering and Materials

Mediterranean 2 & 3

Cordova 2

Dr. Adrian Minnerick, Department of Chemical Engineering, Mississippi State University , Mississippi State, MS ʺMagnetism And Electronic Structure Of Triplet Binuclear Niobium Complexes In Inorganic Glasses, Organic Ligand Environment And Polymers,ʺ Sabrina A. Arrington-Peet and Rakhim R. Rakhimov, Norfolk State University, Center for Materials Research and Department of Chemistry, Norfolk, Virginia 23504 ʺNon-Brownian Particle Migration In Viscous Cellular Flows,ʺ Adetola A. Abatan* and Joseph J. McCarthy, University of Pittsburgh, Department of Chemical and Petroleum Engineering, Pittsburgh PA 15261

40


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 9:30-9:45

ʺContinuous-Time Dynamic Exogenous Modeling from Plant Data,ʺ Derrick K. Rollins*1, 2, Nidhi Bhandari1, Steven W. Mohn3, Natalie M. Matos1, and Swee-Teng Chin1, 2, 1Iowa State University, Department of Chemical Engineering, Ames, IA 50010, 2 Iowa State University, Department of Statistics, Ames, IA 50010, 33M Corporate Research Process Laboratory, St. Paul, MN 55144

9:45-10:00

ʺIn-Situ Ellipsometric Study of PEG/Cl- Co-adsorption on Cu, Ag and Au,ʺ M. L. Walker1, L. J. Richter1, and T. P. Moffat2, Chemical Science and Technology Laboratory1, Materials Science and Engineering Laboratory2, National Institiute of Standards and Technology, Gaithersburg, MD 20899

10:00-10:15

ʺTransient And Dynamic Viscoelastic Behavior Of Polyproylene/ Layered Silicate Nanocomposites,ʺ Mohamed Abdalla1, Moncy Jose1, Graig Williams 2, Keith Green1 and Derrick Dean*1, 1University of Alabama at Birmingham, Department of Materials Science and Engineering, Birmingham, AL 35294; 2Tuskegee University, Department of Mechanical Engineering and Center for Advanced Materials, Tuskegee, AL 36088

10:15-10:30

ʺMonodisperse Metallic Nanoclusters,ʺ Tywania Daniels, Dr. Adams*, Burjor Captain, Jack L. Smith, and Dr. Mbah, University of South Carolina, Department of Chemistry and Biochemistry and the USC Nanocluster, Columbia, South Carolina 29208

10:30-10:45

ʺGrowth Of 3,4,9,10 Perylene Tetracarboxylic Dianhydride(PTCDA), And 1,4,5,8 Napthalene Tetracarboxylic Dianhydride(NTCDA) Thin Films Using Organic Molecular Beam Deposition(OMBD) System,ʺ Harold Cooper, Monique Haythe, and Kang Seo, Norfolk State University, Center for Materials Research, Norfolk, Virginia 23504

Thursday, AM Session Chair

Technical Sessions 9:00 - 11:00 Pharmacological Chemistry

Cordova 3

Dr. Alan Anderson, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA Presenters

41


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 9:00-9:15

ʺLiquid Crystals For Antibody Immobilization: A Novel Approch To Immunosensor Design,ʺ Dwight A. Williams and Suzanne Ruder*, Virginia Commonwealth University, Department of Chemistry, Richmond, VA 23284

9:15-9:30

ʺSynthesis And Preliminary Biological Studies Of New Carboranyltetrabenzoporphyrins For Application In Boron Neutron Capture Therapy (BNCT),ʺ Owendi Ongayi*, Vijay Gottumukkala, Vicente M. H Graça, Louisiana State University, Department of Chemistry, Baton rouge, LA 70803

9:30-9:45

ʺIrradiative Cleavage Of DMNPE-Cage Adenosine 5’ Triphosphate (ATP),ʺ Brandon C. Parker and Dr. Michelle Claville*, Southern University A&M College, Chemistry Department, Baton Rouge, LA 70812

9:45-10:00

ʺOxidative Stress: A Molecular And Mechanistic Approachʺ Desmond Y. Adamu*, Douglas M. Willis, Renard Thomas, and Bobby Wilson, Texas Southern University, Environmental Research Technology Transfer Center (ERT2C) Internship Program and Department of Chemistry, Houston, TX, 77004

10:00-10:15

ʺScreening Plants For Antioxidant Potential,ʺ Dr. Lovell Agwaramgbo*, Tishina C. Okegbe, Dillard University, Department of Natural Science, New Orleans, La 70122

10:15-10:30

ʺMultidrug Resistance and Anticonvulsants: New Studies with Some Enaminones,ʺ Patrice L. Jackson1, Clive D. Hanson1, Tiffany L. Wilson1, Noha N. Salama2, Natalie D. Eddington2, and Kenneth R. Scott1 1Department of Pharmaceutical Sciences, School of Pharmacy, Howard University, Washington, DC 20059; 2Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, MD 21202

10:30-10:45

ʺThe Synthesis and Pharmacological Evaluation of Enaminone Isoxazole Derivatives as Potential Anticonvulsant Agents,ʺ Clive D. Hanson, Patrice L. Jackson, Tiffany L. Wilson, and Kenneth R. Scott, Howard University, Department of Pharmaceutical Sciences, School of Pharmacy, Washington, DC 20059 42


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 11:00 A.M. - 12:20 A.M College Studentsʹ Meeting: Parleying with the President 12:00 P.M. – 1:30 P.M. Lunch (On your own)

Del Lago 1 & 2

12:00 P.M. – 3:00 P.M.

Career Fair Booth Tear Down

Mediterranean 4 & 5

1:00 P.M. – 3:00 P.M.

Science Fair Viewing

Mediterranean 2 & 3

12:30 P.M. – 5:00 P.M.

Science Bowl Junior Division

12:30 P.M. – 5:00 P.M.

Thursday, PM

Science Bowl Senior Division

Plenary Session 1:00 - 3:00

Hotel Restaurants

Amarante 2 & 3 Marbella 1 & 2 Mediterranean 1 Mediterranean 6 Mediterranean 7 Mediterranean 8 Mediterranean 2 & 3

Topic

ʺSuperstring/M-Theory: The DNA of Existence?ʺ

Presenter

Dr. Sylvester J. Gates, John S. Toll Professor of Physics, University of Maryland, College Park, MD

Thursday, PM Moderator

Professional Development Workshop 5 3:30 - 5:00 “Voices of NOBCChE Women”

Del Lago 1 & 2

Dr. Jeanette Brown, Société Fellow, Chemical Heritage Foundation, Philadelphia, PA 19106

Presenters Dr. Denise M. Barnes, NOBCChE Board Chairman Mrs. Ella L. Davis, Past NOBCChE President, Pfizer

Thursday, PM Session Chair

Technical Sessions 3:30 - 5:00 Chemical Engineering

Cordova 2

Dr. Isaac Gamwo, US Department of Energy, National Energy Technology Laboratory, Pittsburgh, PA

Presenters 43


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 3:00-3:20

ʺCatalytic Wash Coating Procedures for The Autothermal Reforming (ATR), Water Gas Shift (WGS) and Preferential Oxidation (PrOx) Catalysts for Hydrocarbon Fuel Processors,ʺ Erica E. Gaston, Andrew R. Tadd, Cory B. Phillips, Levi T. Thompson, University of Michigan, Department of Chemical Engineering, Ann Arbor, MI 48109

3:20-3:40

ʺA Novel Application of Catalytic Ozone Chemistry for Improved Biodiesel,ʺ Tylisha M. Baber*, Dan Graiver, Carl T. Lira, Ramani Narayan, Michigan State University, Department of Chemical Engineering & Materials Science, East Lansing, MI 48824

3:40-4:00

ʺNovel Mass Transfer Characterization For Slurry-Bubble Column Reactors,ʺ Isaac K. Gamwo*, US Department of Energy, National Energy Technology Laboratory, Pittsburgh, PA 15236, and Jonghwun Jung, and Dimitri Gidaspow, Department of Chemical and Environmental Engineering, Illinois Institute of Technology, Chicago, IL 60616

4:00-4:20

ʺDetermination of the Effect of Breakage on Crystal Shape Distribution,ʺ Sheena Reeves*, Devkant Gandhi, and Dr. Priscilla Hill, Mississippi State University, Department of Chemical Engineering, Starkville, MS

4:20-4:40

ʺFabrication and Characterization of Nanostructured Magnetic Multilayers and Multilayered Nanowires for the Magnetic Data Storage Industry,ʺ Erick J. Lawson*1, Cindy Henk2, Monica Moldovan3, Yutong Li4, E.J. Podlaha4, D.P. Young3, and Julia Y. Chan1, 1Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803, 2Louisiana State University, Biological Sciences Socolofsky Microscopy Center, Baton Rouge, LA 70803, 3Louisiana State University, Department of Physics, Baton Rouge, LA 70803, 4Louisiana State University, Department of Chemical Engineering, Baton Rouge, LA 70803

4:40-5:00

ʺCitric Acid And Itaconic Acid Production In Solid State And Submerged Fermentation Systems,ʺ Matthew A. Peters1, Omroy Farquharson2, Olufemi A. Ademolu2, and Michael Gyamerah*2 1Houston Community College System, 2Department of Chemical Engineering, Prairie View A & M University, Prairie View, TX 77446

44


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 5:00-5:20

Thursday, PM Session Chair Presenters 3:00-3:15

ʺNeat and In Vitro Degradation Behavior of Biodegradable 4-Star PEOPLA,ʺ LaTisha E. Salaam and Terry L. Bray, University of Alabama at Birmingham, Department of Biomedical Engineering, Birmingham, AL 35294, and Derrick Dean, University of Alabama at Birmingham, Department of Materials Science and Engineering, Birmingham, AL 35294

Technical Sessions 3:30 - 5:00 Analytical Chemistry

Cordova 3

ʺCharacterization of Polyelectrolyte Multilayers on Polymeric Substrates using Atomic Force Microscopy,ʺ Angela N. Douglas*1, Sam P. Forry2, Laurie E. Locascio2, Isiah M. Warner1 , 1Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803, 2Analytical Chemistry Division, National Institute of Standards and Technology, MS 8394, Gaithersburg, Maryland 20899

3:15-3:30

ʺTrends In Phencyclidine (Pcp): History, Synthesis, And Analysis,ʺ Brian J. Makela*, B.S., Drug Enforcement Administration, Mid-Atlantic Laboratory, Largo, MD 20774

3:30-3:45

ʺEnantiomeric Excess Determination of MaxiPost Using Mass Spectrometry and the Kinetic Method,ʺ Brandy L. Young*1, Scott A. Miller2, and R. G. Cooks1, 1Purdue University, Department of Chemistry, West Lafayette, IN 47906, 2Bristol-Meyers Squibb Company, New Brunswick, NJ 08903

3:45-4:00

ʺDetection of Benzoyrene-Deoxyguanosine Adducts by Matrix Assisted Laser Desorption/Ionization Time of Flight Mass Spectroscopy (MALDI-TOFMS),ʺ Uche C. Udeochu, Mellissa Fletcher, Toiya, Jimmerson, Dapo A. Bakare, Charles, M. Hosten*, Howard University, Department of Chemistry, NW Washington, DC 20059

45


PROGRAM SCHEDULE Thursday, March 24 (Cont.) 4:00-4:15

ʺReal Time Pilot Plant monitoring of Novel Antibiotic Intermediates via ReactIRTM, Frank Dixon Jr*, Qiaogong Su and Philip C Dell’Orco, GlaxoSmithkline Research and Development, Department of Chemical Development, King of Prussia, PA 19406

4:15-4:30

ʺInvestigating The Enantiomeric Recognition Ability Of P-Sulv,ʺ Kristin A. Fletcher1, Bertha C. Valle1, Kevin Morris2, Cynthia K. Larive3, Isiah M. Warner*1, 1 Department of Chemistry, Louisiana State University, Baton Rouge LA 70803, 2 Department of Chemistry, Carthage College, Kenosha, WI, 53140, 3 The University of Kansas, Lawrence, Department of Chemistry, KS 66045

4:30-4:45

ʺThe Determination of the Mechanism of Electrochemical Reduction of 2-Chloro-3-Diacetylamino-1,4-Naphthoqiunone by Cyclic Voltammetry and UV/Visible Spectroscopy,ʺ Melissa C. Fletcher*, Satara A. Brown, Brittany Dawson, Dr. Charles M. Hosten, Dr. Oladapo Bakare, Howard University, Department of Chemistry, Washington, D.C., 20059

4:45-5:00

ʺChiral and Achiral Separations Using Polymeric Surfactants and Polyelectrolyte Multilayer Coated Capillaries,ʺ Mary W. Kamande*, Constantina Kapnissi, Xiaofeng Zhu and Isiah M.Warner, Louisiana State University, Chemistry Department, Baton Rouge LA 70802 ʺScreening Plants For Antioxidant Potential,ʺ Dr. Lovell Agwaramgbo* and Tishina C. Okegbe, Dillard University, Department of Chemistry, New Orleans, La 70122

5:00-5:15

6:00 P.M. – 7:00 P.M.

Banquet Reception

Mediterranean Foyer 1-4

NOBCChE Awards Banquet Thursday, PM

7:00 – 10:30 Winifred Burks-Houck Tribute

Mediterranean 1-4

7:00 P.M. – 12:00 A.M.

Social Dance (DJ)

Mediterranean 6-8

10:00 P.M. -12:00 A.M.

Hospitality Suite

Suite

6:30 A.M. – 7:15 A.M.

NOBCChE Health Walk

Med Porto Cochere

7:00 A.M. - 24 hr

NOBCChE Office

Cordova 5 & 6

Friday, March 25

46


PROGRAM SCHEDULE Friday, March 25 (Cont.) 7:30 A.M. – 9:00 A.M.

Continental Breakfast

Palazzo A & B

7:00 A.M. - 5:00 P.M.

Interview Rooms

Milagro, Cordova 1, Amarante 1

8:00 A.M – 11:45 A.M.

Science Bowl Senior Division Junior Division

Friday, AM

Session Chair Presenters 9:00-9:15

Technical Sessions 9:00 - 10:20 Molecular Recognition: Host-Guest, Macroand Supra-Molecular Chemistry

Mediterranean 1 Mediterranean 3

Cordova 2

Dr. Carl Johnson, Southern, University at New Orleans, Department of Chemistry, New Orleans, LA ʺStudying The Host-Guest Interaction Of Tethered Corannulene Units With Electron Deficient Metals,ʺ Angela Hurst, and James Mack* University of Cincinnati, Department of Chemistry, Cincinnati OH 45221

9:15-9:30

ʺMonodisperse Metallic Nanoclusters,ʺ Tywania Daniels, Dr. Adams*, Burjor Captain, Jack L. Smith, and Dr. Mbah, University of South Carolina, Columbia, Department of Chemistry and Biochemistry and the USC Nanocluster, South Carolina 29208

9:30-9:45

ʺSynthesis of Silylated Calixarenes,ʺ Paul F. Hudrlik,* Anne M. Hudrlik,* Wondwossen D. Arasho, Liping Zhang, and Jaeeock Cho Howard University, Department of Chemistry, Washington, D. C. 20059

9:45-10:00 10:00- 10:15

BREAK ʺMetal(I) and Metal(II) Complexes of a New Water-Soluble Porphyrin Lee Jackson, Adegboye O. Adeyemo*, Jannie Baker,ʺ Olarongbe Olubajo and George N. Williams, Savannah State University, Department of Natural Sciences and Mathematics, Savannah, GA 31404

10:15-10:30

ʺMetal Ions Interactions with Sulfonated Meso- Tetrakis(1,4Benzodioxanyl) Porphyrin,ʺ Shannon Watts, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo and George N. Williams Department of Natural Sciences and Mathematics, Savannah State University, Savannah, GA 31404 47


PROGRAM SCHEDULE Friday, March 25 (Cont.) Friday, AM Session Chair Presenters 9:00-9:15

Technical Session: Materials Chemistry 9:00 - 10:20

Cordova 3

ʺThe Chemical Vapor Deposition of Diamond and Carbon Nanotubes in Strong Magnetic Field,ʺ 1Ariel B.L. Bedford, 2Robert Goddard and 1Reginald B. Little, Sr.*, 1Department of Chemistry, Florida A&M University, Tallahassee, FL32307; 2Department of Chemistry, Florida State University, Tallahassee, FL 32307

9:15-9:30

ʺModification of Carbon Nanotubes using Primary Alcohols,ʺ Jerlinda Ross1, Pamela M. Leggett-Robinson*1, Mohamed A. Abdalla2 and Derrick Dean*2, University of Alabama at Birmingham, 1Department of Chemistry, Tuskegee University, Tuskegee, AL 36088; 2Department of Materials Science and Engineering, Birmingham, AL

9:30-9:45

ʺSelf-Assembled Nanotubes of Cyclic Ureas and Their Host/Guest Properties,ʺ Stevan Samuel, University of South Carolina, Department of Chemistry and Biochemistry, Graduate Science Research Center, South Carolina, 29208, Benedict College, Department of Chemistry, School of Biological and Physical Sciences, Columbia, South Carolina, 29204

9:45-10:00

ʺSynthesis And Characterization Of Novel Tungsten Imido Complexes As Single-Source Precursors For Tungsten Nitride Thin Films,ʺ Corey B. Wilder1, Lisa McElwee-White*1, Omar J. Bchir2, Timothy J. Anderson*2 1University of Florida, Department of Chemistry, Gainesville, Fl 32608 2University of Florida, Department of Chemical Engineering, Gainesville, Fl 32608

10:00-10:15

ʺCharacterization of Dye-Sensitized ZnO Thin Films for Solar Cell Applications,ʺ Celina S. Dozier* and Egwu E. Kalu, FAMU-FSU College of Engineering, Department of Chemical Engineering, Tallahassee, FL 32310

48


PROGRAM SCHEDULE Friday, March 25 (Cont.) 10:15-10:30

Friday, AM Session Chair

10:30-10:50

ʺA Comparison Of Nanoparticle Dispersion Methods On The Morphology And Properties Of Epoxy Based Nanocomposites,ʺ Keith Green1, M. Abdalla1, M. Jose1 and D. Dean*1, University of Alabama at Birmingham, Department of Materials Science and Engineering, Birmingham, AL 35294 Technical Session: Spectroscopy 10:30 - 11:50

Cordova 2

Dr. Shawn Abernathy, Chemistry department, Howard University, Washington, DC Presenters “Exploring Intersystem Crossing in The Excited State of CS2 with Velocity Ion Imaging,” William M. Jackson, Dadong Xu, and Jianhua Huang, University of California at Davis, Department of Chemistry, Davis, CA 95616.

10:50-11:07

ʺVacuum-UV Dissociative Photoionization Dynamics of Perfluorocarbons by Ion Imaging With Synchrotron Radiation,ʺ Ramsey L. Smitha, Vernon R. Morrisa, Christophe Nicolasb, Musa Ahmedb, Stephen Leonebc, aDepartment of Chemistry Howard University, Washington, DC 20059; bChemical Dynamics Division, Advanced Light Source Laboratory, Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA 94720, cUniversity of California, Berkeley, Berkeley CA 94720

11:07-11:24

“MALDI-TOF Mass Spectroscopy and Homeland Defense at The John Hopkins University Applied Physics Laboratory,” Miquel Antoine, Tim Cornish, Scott Ecelberger, Plalmen Demirev, and Jason Quizon, The John Hopkins University Applied Physics Laboratory, Research and Technology Development Center, Laurel, MD 20723.

11:24 -11:41

“Photochemical Reaction Rates of 1,3-, 1,6-, 1,8-Dinitropyrene, 1-, and 2-Nitropyrene and 6-Nitrochrysene,” Gernerique Stewart1, Jian Yian2, Lei Wang2, and Hongtao Yu2, Jackson State University, College of Science, Engineering, and Technology, Department of Chemistry, Jackson, Mississippi, 39217.

49


PROGRAM SCHEDULE Friday, March 25 (Cont.) 11:41-12:00

Friday, AM

Session Chair Presenters 10:30-10:45

“Solid-state NMR Studies of Hydroxide Induced Weathering of 2:1 layered Aluminosilicate Mineral,” Garry S. Crosson*1, Geoffrey Bowers1, Sunkyung Choi2, Jon D. Chrover2, and Karl T. Mueller1, The Pennsylvania State University, Department of Chemistry, University Park, PA, 2University of Arizona, Department of Soil, Water and Environmental Science, Tucson, AZ.

Technical Sessions 10:30 - 11:50 Engineering and Materials in Biological Chemistry

Cordova 3

Dr. Oladapo Bakare, Howard University, Department of Chemistry, Washington, DC ʺChanges In Metal Ion Interactions Accompany Local And Global Conformational Changes Along The Reaction Trajectory Of The Hepatitis Delta Virus Ribozyme,ʺ Rebecca A. Tinsley* and Nils G. Walter, University of Michigan, Department of Chemistry, Ann Arbor, MI 48109

10:45-11:00

ʺExpression and Purification of Alzheimer’s Afl42 Peptides from E. Coli Bacteria for Biophysical Studies,ʺ Christine A. Henry, Christine Wurth, Woojin Kim, and Michael H. Hecht*, Princeton University, Department of Chemistry, Princeton, NJ 08544

11:00-11:15

ʺConformational Changes In The U1A Protein Upon Binding RNA,ʺ Michael E. Agumeh, Joseph L. Knee, Anne M. Baranger*, Wesleyan University, Chemistry Department, Middletown, CT, 06459

11:15-11:30

ʺEnzyme Catalysis-SARS Protease Reaction Mechanism,ʺ Jelani K. Griffin, 1Jackson State University, Jackson, MS 39217 and Ben Mayer, Jiali Gao, and Kin-Yiu Wong, Army High Performance Center, University of Minnesota, Minneapolis, MN 55401

50


PROGRAM SCHEDULE Friday, March 25 (Cont.)

Friday Noon 2:30 P.M. - 3:00 P.M.

Students Awards Luncheon Mediterranean 4 Speaker: Dr. Calvin Mackie, Associate Professor, Department of Mechanical Engineering, Tulane University All Star Science Bowl Mediterranean 1-3

Saturday, March 26 9:00 A.M. – 4:00 P.M.

Kennedy Space Center Tour

9:00 A.M. – 4:00 P.M.

National Planning Committee Meeting

51

Med Porto Cochere Departure La Serena Board


The American Chemical Society (ACS) is proud to support the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers (NOBCChE)

Annual Conference. Visit our booths (207 & 215) to meet with representatives from the American Chemical Society and learn about the organization and its programs. William F. Carroll, Jr., President, ACS James D. Burke, Board Chair, ACS Howard Peters, Board Member, ACS Madeleine Jacobs, Executive Director and Chief Executive Officer, ACS Denise Creech, Director, ACS Membership Division Stephanie R. Allen, Manager, ACS Diversity Programs Alicia Chambers, Education Associate, ACS Education Division James Kessler, Manger K-8 Science, ACS Education Division Genaro Montanez, Human Resources Business Partner, ACS Washington

American Chemical Society 1155 16th Street, NW, Washington, DC 20036-4892 1-800-227-5558 Internet: chemistry.org


NOBCChE 2005 EXHIBITORS 3M St. Paul, MN

Dupont Company Providence, RI

Abbott Laboratories Abbott Park, IL

Eastman Kodak Rochester, NY

Air Force Reseach Laboratory Wright Patterson AFB, OH

Eli Lilly And Company Indianapolis, IN

American Chemical Society Washington, DC

Environmental Protection Agency Washington, DC

Battelle Columbus, OH

Gillette Company Boston, MA

Bayer Material Sciences Pittsburg, PA

Glaxo Smithkline Durham, NC

Boehringer Ingelheim Pharmaceuticals Ridgefield, CT

Gordon Research Companies West Kingston, RI

Cargill Minneapolis, MN

Johns Hopkins University- Applied Physics Laboratory Baltimore, MD

Carnegie-Mellon University Pittsburg, PA

Johnson & Johnson New Brunswick, NJ

Center For Environmentally Beneficial Catalysis Lawrence, KS

Lawrence Livermore National Laboratory Livermore, CA

Colgate-Palmolive Piscatway, NJ

Los Alamos National Laboratory Los Alamos, NM

The Dow Chemical Company Midland, MI

Make A Difference, Inc. Orlando, FL

Drug Enforcement Administration Arlington, VA

Merck & Company, Inc. West Point, PA 53


NOBCChE 2005 EXHIBITORS Mississippi State University Mississippi State, MS

Roche Laboratories Inc. Nutley, NJ

National Research Council Of The National Academies Washington, DC

Rohm And Haas Company Spring House, PA

National GEM Consortium Notre Dame, IN

University Of California – Davis Davis, CA

National Institute Of Standards & Technology Gaithersburg, MD

University Of Cincinnati

National Starch And Chemical Company Bridgewater, NJ

University Of Maryland Baltimore, MD

Norfork State University, Center For Materials Research Norfork, VA

University Of Massachesetts - Amherst

Oak Ridge Associated Universities Oak Ridge, TN

University Of Michigan Ann Arbor, MI

Pfizer Global Research & Development New London, CT

US Department Of Agriculture Beltsville, MD

Procter & Gamble Cincinnati, OH

Wesleyan University Middletown, CT

Cincinnati, OH

Amherst, MA

54


What’s behind

the smile?

Tracey and Chad, Colgate-Palmolive

Great company, great people, and exciting careers. Every day brings opportunities for development. We value personal leadership, results, and growth. Because our vision isn’t simply to be the biggest, it’s to be the best truly global consumer products company. That’s Colgate and to learn more about what we are doing to become the Best Place to Work, we invite you to visit our website:

www.colgate.com


FORUM AND WORKSHOP ABSTRACTS Teachers Workshop 1:30 - 4:30

Monday, PM

Del Lago 1 & 2

“Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals

This year’s science teacher’s workshop will assist science educators at the elementary, secondary, and high school levels using various teaching strategies and techniques. The workshop will also provide resources and materials that will assist in enhancing your curriculum. In addition, educators will have an opportunity to discuss various issues and concerns. The objective for this workshop is to assist educators in improving test scores of minority and underrepresented students. We hope to encourage and increase their desire to pursue careers in science and technology. Module # 1 will be presented in this session.

Monday, PM Professional Development Workshop 1 1:30 - 4:30 Del Lago 3 & 4 Tuesday, AM a) “Resume Writing Workshop” 9:00 - 11:50 The course will focus on the essential components of a resume. Examples of ʺgoodʺ and ʺbadʺ resumes will be presented. There will be ʺrole-playing.ʺ In this segment, participants will learn key interviewing skills. The final segment will allow some ʺone-on-oneʺ time with the instructors. The course will be limited to 30 Conference attendees in order to allow for more intimate session; all educational levels can benefit. The course is open to people who want tips on resume writing and interviewing for industry. The instructors are human resource managers with considerable experience in recruiting technical personnel. The course will be repeated on Tuesday morning. Monday, PM 1:30 - 4:30 Tuesday, AM 9:00 - 11:50

Professional Development Workshop 1 b) “Preclinical Research and Development Workshop”

56

Del Lago 3 & 4


FORUM AND WORKSHOP ABSTRACTS DRUG DISCOVERY ʺThe Design and Synthesis of PEPCK Inhibitors, An Overview of the Different Types of Scientists Who Work Together to Discover Medicinesʺ Dr. Sherrie Pietranico and Ms. Nicole Jackson Hoffmann-La Roche Pharmaceuticals, Discovery Chemistry, Nutley, NJ This seminar will be an overview of the Drug Discovery Process from Target Identification to Lead Identification through Lead Optimization. The different types of scientists who work together as an interdisciplinary team to discover medicines will be presented. This process will be explained using the PEPCK Inhibitor Project for Diabetes as an example. The goals of the seminar are to educate students about drug discovery, to inspire students, and to expose students to the different types of scientific careers that can be pursued.

Monday, PM

ACS Distinguished Scientists Symposium 4:45 - 6:00

Mediterranean 1 & 2

Sponsored by American Chemical Society

Speaker Professor Levi T. Thompson, Professor and Associate Dean University of Michigan, Department of Chemical Engineering, Ann Arbor, MI Towards the Hydrogen Economy: Nanostructured Materials for Hydrogen Production Hydrogen is seen by many as the energy carrier for the future, and development of the science and technology needed to produce, store and utilize hydrogen has emerged as a national research priority. Hydrogen has the highest energy density of any non-nuclear fuel and can be easily converted to electrical and thermal energy via highly efficient, nonpolluting processes. Hydrogen is also the most abundant element on the planet but it does not exist naturally in pure form. Fossil fuels like natural gas and crude oil are obvious sources for the large quantities of hydrogen needed to initiate the transition to a “Hydrogen Economy.” Primarily due to limitations of the materials (e.g. catalysts) and reactors, the processing of hydrocarbons into syngas (H2-rich gas) is fairly inefficient. Our research focuses on the design and discovery of better performing catalysts and reactors for hydrogen production, and less expensive fuel cells. The talk will review issues related to the use of hydrogen including the Hydrogen Economy, and highlight our work in the development of new, nanostructured catalysts and adsorbents for hydrogen production.

57


FORUM AND WORKSHOP ABSTRACTS Tuesday, AM Teachers Workshop Wednesday, AM 8:00 - 4:30 Del Lago 1 & 2 “Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, Abbott Laboratories, NOBCChE Midland Chapter, Ross Products, and Roche Pharmaceuticals This year’s science teacher’s workshop will assist science educators at the elementary, secondary, and high school levels using various teaching strategies and techniques. The workshop will also provide resources and materials that will assist in enhancing your curriculum. In addition, educators will have an opportunity to discuss various issues and concerns. The objective for this workshop is to assist educators in improving test scores of minority and underrepresented students. We hope to encourage and increase their desire to pursue careers in science and technology. Modules # 2 and 3 will be presented in the Tuesday all day session. Modules # 4 and 5 will be presented in the Wednesday all day session.

Tuesday, PM

Professional Development Workshop 2 Del Lago 3 & 4 3:30 - 5:00 “Business Essentials for Successful Innovation”

This session will cover the basics for scientists and engineers who need to understand the drivers and forces behind science and technology innovation. This session will cover innovation theory and practice, innovation finance, identification of product attributes, intellectual property and organizational dynamics as they relate to innovation. Specific attention to the chemicals and materials industries will be given. The tools, skills and personal attributes which need to be developed for success in this arena will be discussed.

Professional Development Workshop 3 Tuesday, PM 3:30 - 5:00 Cordova 2 “Government & Academic Opportunities: Funding Opportunities and Strategies” This workshop will enumerate several federal agencies that provide potential funding opportunities in addition to the national Science Foundation and the National Institutes of Health where scientist first look for research support. In addition, potential federal employment opportunities will be suggested.

58


FORUM AND WORKSHOP ABSTRACTS

Tuesday, PM

GEM Fellowship Process Graduate School 6:30 - 7:30

Mediterranean 1-3

This session will provide an opportunity for students to get answers to questions regarding graduate school - everything from searching for the right graduate school to fellowship and funding opportunities. Students will also receive in-depth information on the GEM Fellowship Process - how the programs work, funding possibilities, stipends, tips regarding the application process, and much more. This is a must attend workshop for students interested in graduate school!

Wednesday, AM

Forensic Workshop 7:00 - 8:30 ʺDisciplines of Forensic Chemistryʺ

Cordova 2

The objective of this workshop is to provide updated information on the many different disciplines and career choices in the field of forensic chemistry. The presenters in this workshop will be representatives from federal, state, and local crime laboratories. This workshop will cover the latest technology used in the field of forensics including DNA analysis, Toxicology, Serology, Drug chemistry, and Fingerprint examination. At the end of the workshop, the attendees will have a better understanding of the different disciplines in the forensics sciences and the career options for interested scientists. The session will conclude with a 30-minute discussion hosted by the invited Forensic panelists. Participants will be invited to ask questions, comment on the information presented, and suggest solutions for problem solving techniques.

Wednesday, AM

NOBCChE Health Forum

Mediterranean 1 & 2

6:00 – 7:30 ʺHealth Issues/ Concerns Focus: - Blood Diseasesʺ Sponsored by Eli Lilly And Company Sickle Cell Disease is the most common genetic disease in the United States. Daily, over 70,000 Americans struggle with this disease. In the U.S., 1 out of 10 African-Americans has the Sickle Cell trait and 1 out of 625 newborns have the disease. This symposium will focus on Sickle Cell Disease and related blood diseases.

Thursday, AM

Professional Development Workshop 4 9:00 - 10:50

Del Lago 1 & 2

“Strategies for Job and Career Transitioning” 59


FORUM AND WORKSHOP ABSTRACTS Thursday, PM

Thursday, PM

Professional Development Workshop 5 3:30 - 5:00 “Voices of NOBCChE Women”

Plenary Session 1:00 - 3:00

Del Lago 1 & 2

Mediterranean 2&3

Dr. Sylvester J. Gates, John S. Toll Professor of Physics, University of Maryland, College Park, MD ʺSuperstring/M-theory: The DNA of Existence?ʺ ABSTRACT The importance of DNA, the genetic code of life, is widely recognized. The information encoded in its strands gives a blueprint for all life. Since the 1970ʹs, theoretical physicists have been studying the mathematics of an idea that the information for all of physical reality might be encoded in the strands of superstrings, objects a billion, billion, billion times smaller than DNA. They provide a model for what Einstein called a ``unified field theoryʹʹ when he first suggested such a possibility. During a thirty-year long quest, he was unable to find a logically-consistent mathematical support for this idea. This talk provides an accessible introduction for non-scientists to this frontier conversation about the deepest level of our universe and a possible basis of physical reality.

60


CONFERENCE SPEAKERS Monday, AM

Opening Session 8:30– 10:00

Mediterranean 1 & 2

Dr. Shirley Weber, Professor of African Studies, Chair of Black Studies Department San Diego State University San Diego, CA Shirley Nash was born in Hope, Arkansas to sharecroppers. She is the sixth of eight children born to the late Mildred and David Nash. By age 26, Shirley Nash was Dr. Shirley N. Weber, with a BA, MA, and Ph.D. in the area of speech communication from UCLA. Her specialization is movement studies and Black nationalism. Success began early and dramatically continues for Dr. Shirley Weber. In 1970, Dr. Weber became one of seventeen Woodrow Wilson fellows out of a class of over 6,000 from UCLA. In 1972, by age 23, she became a professor at San Diego State University. As one of the original faculty members, she has been responsible for the development of the Africana departmentʹs curriculum and recruitment of faculty and students. During her administration of the department from 1979-1985 and 1988-91, the department grew in its national reputation as one of the strongest undergraduate Africana Studies department in the country Shirley Weber was selected Outstanding Young Woman in America twice, 1976 and 1981. Three times she received the SDSU Outstanding Faculty Award, 1981, 1988, 1990. Dr. Weberʹs success continued. In fact, in 1988, Dr.Weber was elected to the San Diego Unified School Board where she served two consecutive four year terms until she retired in 1996. During her terms, singular progress was made in a number of areas, including: • An unprecedented number of new schools were built in the inner city--six new schools served low income neighborhoods • Class size was reduced to 25 students by relocating dollars from administration • First nationally mandated parent involvement policy was approved • Lowest drop out rate of any urban school district • Increase in graduation requirements • Core curriculum qualifying all students for university • Increase in SAT scores * Schools receiving national chapter one achieving school awards • Increase in minority and women owned businesses doing business with the district • Grade-level standards adopted ahead of the state and many more. For her service, Shirley Weber has received numerous awards from a host of organizations including the NAACP, Urban League, Negro Business and Professional Women, California Women in Government, National Council of Black Studies, National Womenʹs Political Caucus and many more too numerous to note. An internationally recognized lecturer and writer, Dr. Weber also hosted her own talk show. She is married to a judge and is the mother of two childrena college freshman and a sophomore in high school.

61


CONFERENCE SPEAKERS Dr. Shirley Nash Weber recently addressed the NOBCChE conference at San Diego 1999, in Los Angeles 1995, and in San Diego 1990. We are proud to welcome her back to our family.

Monday, AM

Henry Hill Lecture 10:30 - 11:45

Mediterranean 1 & 2

Dr. Willie E. May, Director Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899

Dr. Willie E. May is Director of the Chemical Science and Technology Laboratory at the National Institute of Standards and Technology. He received his B.S. degree in chemistry from Knoxville College, Knoxville,TN in 1968 and his Ph.D. in analytical chemistry from the University of Maryland at College Park, MD in 1977. He joined the National Bureau of Standards, as a Research Chemist, in 1971 and became Group Leader for Liquid Chromatography, Organic Analytical Research Division in 1976. He was promoted to Chief of the Organic Analytical Research Division in 1983 and Chief of the Analytical Chemistry Division in 1994. In December 2004, Dr. May was selected to become Director of the NIST Chemical Science and Technology Laboratory. CSTL is one of the seven technical Operational Units within the National Institute of Standards and Technology and has ~325 technical staff of and an annual Budget of approximately $70M. CSTL is entrusted with the responsibility of developing, maintaining, advancing, and enabling the chemical measurement system for the US in order to enhance American industry聞s productivity and competitiveness, assure equity in trade, and provide quality assurance for the chemical measurements and data used for assessing and improving public health, safety, and quality of life. Dr. May has several leadership responsibilities in addition to those at NIST. Currently he is Chair, Organic Analysis Working Group, Consultative Committee on the Quantity of Material, International Committee for Weights and Measures; Chair, Chemical Metrology Working Group, Inter-American System for Metrology; Co-Chair, Working Group on Reference Materials and Reference Measurement Procedures, Joint Committee on Traceability in Laboratory Medicine; Member, Board of Directors, National Conference on Clinical Laboratory Standards, and Member of the Advisory Boards for the Chemistry Departments at the University of Maryland and Howard University.

62


CONFERENCE SPEAKERS Honors and awards presented to Dr. May include: Department of Commerce Bronze, Silver and Gold Medals; National Institute of Standards and Technology Equal Employment Opportunity Award (1982 and 1993); Arthur S. Flemming Award for Outstanding Individual Performance in the Federal Government before the age of 40; Presidential Award for Senior Executive Service to the Federal Government; the NOBCChE Percy L. Julian Award for Outstanding Research in Organic Analytical Chemistry; and the 2001 Distinguished Service in the Advancement of Analytical Chemistry Award given by the Analytical Division of the American Chemical Society; and Keynote Speaker for the 2002 Winter Commencement Ceremonies, University of Maryland, College of Life Sciences.

Monday, PM

ACS Luncheon 12:00 – 1:15

Palazzo A-C

Dr. William F. Carroll, Jr. President, American Chemical Society Vice-President, Occidental Chemical Corporation Dr. William F. Carroll, Jr. holds a B.A. in Chemistry and Physics from DePauw University, Greencastle, IN, an M.S. from Tulane University in New Orleans, and a Ph.D. from Indiana University, Bloomington, IN, both in Organic Chemistry. Bill started his industry career in 1978 and after a year with Rohm and Haas Company, Bristol, PA, moved to what is now known as Occidental Chemical Corporation. He is currently Vice President, Chlorovinyl Issues for OxyChem and works on public policy issues and communications related to chlorine and PVC. He is also Adjunct Professor of Chemistry at Indiana University, Bloomington, Indiana and teaches polymer chemistry there. Bill is President (2005) of the American Chemical Society, a member of the ACS Budget and Finance Committee, and past chair of its International Activities Committee. He is a Fellow of the Royal Society of Chemistry, a member of the US National Committee for the International Union of Pure and Applied Chemistry, and a member of the Science Advisory Board for DePauw University. He has been an active member of and chaired various committees for a number of chemistry, plastics, fire protection and recycling organizations. He has served on expert groups commissioned by the United Nations Environmental Program, the State of Florida, and the Oregon Department of Environmental Quality. He received the Vinyl Institute’s Roy T. Gottesman Leadership Award for lifetime achievement in 2000. He holds two patents, and has over forty publications in the fields of organic electrochemistry, polymer chemistry, combustion chemistry and physics, incineration, plastics recycling and chlorine issues.

63


CONFERENCE SPEAKERS Monday, PM

Teachers Workshop 1:30 - 4:30

Del Lago 1 & 2

“Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, NASA, Committee for Action Program Services

Mrs. Linda Davis, Committee Action Program Services Linda Davis is founder and executive director of the Committee for Action Program Services (CAPS). CAPS is a non-profit organization specializing in teachers professional development in science. Ms. Davis is presently an Administrator at A+ Academy in Dallas, Texas. Her responsibilities include, special projects coordinator for science curriculum and programs; senior advisor for SAT/ACT programs; grant writer for the science department; and coordinator/facilitator for staff development for science and math teachers. Ms. Davis is currently pursuing a Bachelor of Arts Degree in Organizational Management from Paul Quinn College in Dallas, Texas.

Mr. James Kesseler, American Chemical Society James Kessler’s science education career started as a classroom teacher for 9th and 10th grade biology and physical science. I have spent the last 14 years developing and publishing science activities for elementary and middle school students and teachers through the Education Division of the American Chemical Society. Over the last few years, I have been involved in creating and conducting in-person and online teacher professional development workshops to help teachers incorporate more inquiry-based physical science into their teaching.

Monday, PM

Professional Development Workshop 1 1:30 - 4:30 a) “Resume Writing Workshop”

Del Lago 3 & 4

Dr. Ron Webb Senior Manager of Doctoral Recruiting Procter & Gamble Cincinnati, OH Ron Webb received his B.Ed. in Biological Sciences from Miami University in 1971. Following eight years of biological research at Procter & Gamble (P&G) on insecticides, herbicides, plant growth regulators, and antimicrobials, he entered graduate school and

64


CONFERENCE SPEAKERS obtained a Ph.D. in toxicology from The University of Arizona in 1984. He returned to P&G at that time and assumed positions of increasing responsibility as a toxicologist, product development scientist, and Section Head in Regulatory & Clinical Development. From 1988 to 1998, Dr. Webb had primary responsibility for obtaining national and international regulatory approval for the use of new food additives and food ingredients. During this time period, he also served as a scientific outreach representative for academic institutions, professional societies, the media, and state and local government affairs. In 1999, Dr. Webb was appointed Senior Manager of Doctoral Recruiting, with direct responsibility for recruiting Ph.D., Pharm.D., D.D.S., D.V.M, and M.D. candidates for all of Procter & Gambleʹs U.S. R&D organizations, and coordination responsibilities for doctoral recruiting worldwide. In 2001 he was appointed Manager, Doctoral Recruiting and University Relations, in recognition of his increasing level of responsibility in P&G’s external relations organization. Dr. Webb also serves as a Company representative for national industry associations, and as a Procter & Gamble spokesperson with a number of professional societies.

Dr. John MacKinnon Dow Chemical Company Freeport, TX Dr. John MacKinnon received is Bachelors of Science degree, with honors, from Heriot-Watt University in Edinburgh, Scotland in 1989. He worked for approximately two years as a Mineral Process Chemist and Mineral Analysis Specialist for the Genmin Corporation in Houghton, South Africa. In 1991, he returned to academia at the University of Saskatchewan, Canada. He was awarded the doctorate degree in Organic Chemistry in 1995; whereupon, he undertook a two year post - doctoral appointment with Sir Derek HR Barton at Teaxas A&M University. Dr. MacKinnon joined the Dow Chemicalʹs Pharmaceuticals division as a Research Design Specialist in 1997. In 2000, he became Dow Chemicalʹs Human Resources Manager responsible for Technical Staffing for US BS/MS/PhD levels. His duties also involve selection process design for new college graduates; Strategic Workforce Planning, including succession planning and minority programs. He is Dowʹs Mergers and Acquisitions Leader.

65


CONFERENCE SPEAKERS Monday, PM b)

Professional Development Workshop 1 Del Lago 3 & 4 1:30 - 4:30 “Pre-Clinical Research & Development, An Overview of the Different Types of Scientists Who Work Together to Discover Medicines”

Dr. Sherrie Lynn Pietranico-Cole, Research Leader Hoffmann-La Roche Pharmaceuticals Discovery Chemistry Nutley, NJ Sherrie Pietranico received her B.A. in Chemistry from Douglass College at Rutgers University in 1986. She continued her graduate studies at the University of Pennsylvania under the supervision of Professor Ralph Hirschmann and Professor K.C. Nicolaou. Sherrie was the first African American woman to graduate with a Ph.D. in Organic Chemistry from the University of Pennsylvania in 1992. She then joined the Medicinal Chemistry Department at Hoffmann-La Roche Pharmaceuticals in Nutley, NJ as a Senior Scientist. Sherrie has worked in Medicinal Chemistry at Hoffmann-La Roche for the past 13 years discovering medicines for Metabolic Diseases, Inflammatory Diseases and Bronchopulmonary Diseases. She is currently a Research Leader pursuing medicines for Diabetes and Obesity.

Nicole S. Jackson, Scientist Hoffmann-LaRoche Pharmaceuticals Discovery Chemistry Nutley, NJ Nicole Jackson received her B.S. in Chemistry from Austin Peay State University, Clarksville, TN, in 1996. In 1998, she received her M.A. in Chemistry from Fisk University, under the supervision of Dr. I.W. Elliott. She was one of the last two students to work in Dr. Elliott’s group. After graduating from Fisk, she taught school for two years. In 2000, she joined the Discovery Chemistry Department at Hoffmann-LaRoche Pharmaceuticals as a Scientist. At Roche, she participates in the design and synthesis of small molecules for medicinal chemistry projects. Some of the projects that she has worked on are those dealing with GPCR modulation in obesity research. Currently, she is working on a project concerning kinase inhibition in oncology.

66


CONFERENCE SPEAKERS Monday, PM

ACS Distinguished Scientists Symposium 4:45 - 6:00

Mediterranean 1 & 2

Professor Levi T. Thompson Chemical Engineering Department Associate Dean, College of Engineering University of Michigan Ann Arbor, MI Professor Thompson earned his B.ChE. from the University of Delaware, and M.S.E. degrees in Chemical Engineering and Nuclear Engineering, and a Ph.D. in Chemical Engineering from the University of Michigan. After working for two years at KMS Fusion, he joined the faculty of the Department of Chemical Engineering. Since September 2001, he has been Associate Dean for Undergraduate Education. In that capacity, Professor Thompson provides leadership in achieving the College of Engineering’s mission to provide students with a high quality educational experience and environment. Professor Thompson has distinguished himself in research in the areas of nanostructured nitrides and carbides, micro-reactor and fuel cell systems, and fuel processing catalysts. He has authored or co-authored nearly 200 papers and presentations including an invited contribution on batteries for the World Book Encyclopedia, and has been awarded 8 patents. He has given more than 80 seminars and invited lectures. Among these were the keynote lecture at the National Meeting of the Catalysis Society of South Africa and an invited lecture for the UOP Research and Development/Honeywell Technology Invitational Lecture Series. His honors include the National Science Foundation Presidential Young Investigator Award, Union Carbide Innovation Recognition Award, Dow Chemical Good Teaching Award, 2001 College of Engineering Service Excellence Award, and Harold Johnson Diversity Award. He is also co-founder, with his wife Maria, of T/J Technologies. Professor Thompson has established a strong record of service at all levels. At the national level, he is Consulting Editor for the AIChE Journal, a member of the Advisory Committee for the NSF Engineering Directorate, serves on the External Advisory Committee of the NSF STC for Advanced Materials for Water Purification at the University of Illinois, and has regularly organized sessions and symposia at national meetings of the American Institute of Chemical Engineers, Materials Research Society and Catalysis Society. He also served as President, Vice President and SecretaryTreasurer of the Michigan Catalysis Society. His service at the University of Michigan includes chairing several College of Engineering committees, advising the University of Michigan chapter of the National Organization of Black Chemists and Chemical Engineers and mentoring scholarathletes on the football and basketball teams. Levi is married to Maria Thompson, who is the President and CEO of T/J Technologies, Inc.

Teachers Workshop Tuesday, AM 8:00 - 4:30 Del Lago 1 & 2 “Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, NASA, Committee for Action Program Services

67


CONFERENCE SPEAKERS Dr. Howard Adams, President/Founder, H. G. Adams & Associates Howard G. Adams is president and founder of H.G. Adams & Associates, Inc. a consulting company that provides a full range of career, personal and professional development services to educational, governmental and industrial organizations. Prior to incorporating H.G. Adams & Associates, Inc., Dr. Adams served as Executive Director of the National Consortium for Graduate Degrees for Minorities in Engineering and Science, Inc. (The GEM Program) headquartered at the University of Notre Dame, Notre Dame, Indiana (1978-1996). Here he specialized in designing strategies and implementing programs to enhance the participation and success of ethnic minorities and women in engineering, science and other technical areas. Before joining GEM, Dr. Adams was Vice President for Student Affairs at Norfolk State University. Dr. Adams holds a B.S. from Norfolk State University; an M.S. from Virginia State University; and a Ph.D. from Syracuse University. Dr. Adams is a highly sought after seminar facilitator and keynote speaker, who has delivered numerous papers before professional, scientific, and educational associations and has spoken at more that 500 colleges and universities. He has written extensively in the areas of mentorship programs, human resource development, and student academic success. His latest book, entitled “Get Up With Something On Your Mind,” offers 25 lessons for leading a meaningful and successful life. Dr. Adams has received numerous awards and citations recognizing his work. In 1989, President Ronald Reagan named Dr. Adams to the U.S. Congressional Task Force on Women, Minorities and the Handicapped in Science and Technology. In 1993, the American Society of Engineering Education awarded him its Centennial Medallion; in 1995 President William Clinton awarded him the U.S. Presidential Award for Excellence in Science, Mathematics and Engineering Mentoring. He was named a “Virginia Hero” by the Virginia Heroes, Inc. in 1996; he was named a “20th Century Outstanding Educator” by Black Issues in Higher Education in 1999; and the National Society of Black Engineers awarded Dr. Adams its Golden Torch Award “Lifetime Achievement in Academia” in 2002.

Ms. Yolanda George, American Association for the Advancement of Science Yolanda S. George is Deputy Director and Program Director for the Directorate for Education and Human Resources Programs (EHR) at the American Association for the Advancement of Science (AAAS). Her responsibilities include conceptualizing, developing, implementing, planning, and directing multi-year intervention and research projects related to increasing the participation of minorities, women, and disabled persons in science and engineering. Her recent K-12 mathematics and science reform work includes contributing to the development of materials for infusing equity into systemic reforms and conducting research on how state departments of education and school districts are aligning equity and science and math initiatives. Also, she has conducted equity reviews for textbooks and software publishers and test developers, including New Standards Science. She serves as a consultant to numerous federal and state agencies, foundations and corporations, and colleges and universities including the National Science Foundation, the U.S. Department of Education, Carnegie Corporation of New York, the New Jersey State Department of Education, and the Louisiana State Department of Education, and serves on several advisory

68


CONFERENCE SPEAKERS boards including the National Academy of Engineering Committee on Women in Engineering, California State University, Los Angeles Access Project, and WGBH Instructional Television Science Project and others.

Tuesday, Noon

Luncheon Speaker 12:00 – 1:30

Palazzo A - C

Dr. Pamela McCauley - Bell, Associate Professor Industrial Engineering and Management Systems University of Central Florida Dr. Pamela McCauley-Bell is an associate Professor of Industrial Engineering and Management Systems at the University of Central Florida. From January 1997 to June 1999 she held the position of Martin Luther King, Jr. Visiting Associate Professor of Aeronautics and Astronautics at the Massachusetts Institute of Technology (MIT). Dr. McCauley-Bell is also President and co-owner of Tech-Solutions.net, Inc., a small business that provides technical consulting and research services. Tech-Solutions specializes in the areas of artificial intelligence, human factors and simulation. A native of Oklahoma, Dr. McCauley-Bell obtained Bachelors, Masters, and Doctor of Philosophy degrees Industrial Engineering from the University of Oklahoma. In fact, in 1993 Dr. McCauley-Bell became the first known African-American female to be granted a Ph.D. in the field of Engineering in the state of Oklahoma. Her engineering related research focus includes evaluation of development of human factors, expert systems development, fuzzy set theory, and the human impact in information security. She has received federal and state funding to conduct. She is the author of over 40 technical papers, book chapters and conference proceedings. Dr. McCauley - Bell serves a member of the editorial board for the journal of Theoretical Issues in Ergonomics Sciences (TIES), Associate Editor of the Industrial Engineering Encyclopedia and regularly referees technical research papers such as IEEE Transactions on Systems, Man and Cybernetics, International Journal of Industrial Hygienist, the North American Fuzzy Information Processing Conference Proceedings and Kluwer Academic Publishers. In 1999 Dr. McCauley-Bell was honored with the Woman of color in Technology Award for Educational Leadership. Dr. McCauley-Bell has been described as an outstanding teacher. Her teaching efforts have also resulted in the receipt of both the College of engineering Award for Excellence in Undergraduate Teaching and the Teaching Incentive Program Award (TIP) in the 1996-97 academic year. She is also involved in numerous campus and community service serving as the co-advisor to the National Society of Black Engineers (NSBE) as well as Students for the Exploration and Development of Space (SEDS). In 1999 she was elected to the Board of Directors

69


CONFERENCE SPEAKERS for the Women in Engineering Programs & Advocates Network (WEPAN), a national organization that seeks to increase the presence of women in engineering. In addition to her campus activities Dr. McCauley-Bell is frequently invited to universities and communities to deliver technical lectures that share her enthusiasm about science and technology. One of her passions is to help young people, particularly minorities and women, understand the excitement, opportunities and enjoyment in pursuing a technical career. Dr. McCauley-Bell is also a motivational speaker traveling around the country to give inspirational lectures to conferences, universities, churches, community organizations and professional societies. She shares her story of determination, faith in God, and diligence to achieve her goals despite financial difficulties, disappointments, and being a teen mother. Her activities have led to recognition in national publications including Career Engineer, Ebony, Essence, Jet, Lears Magazine and U.S. Black Engineer. Dr. McCauley-Bell was the Student Leadership category winner in the 1989 Black Engineer of the Year Awards Conference. Dr. McCauley-Bell has a daughter, Annette, whom is a student at the University of Oklahoma, and she is the wife of Michael Bell, a Manager at Kennedy Space Center, NASA. She is the daughter of Maurice Sr., and La France McCauley, of Oklahoma City, OK.

Tuesday, PM

Professional Development Workshop 2 3:30 - 5:00

Del Lago 3 & 4

“Business Essentials for Successful Innovation” Instructors: Dr. Chris Hollinsed, Manager, Academic Programs DuPont Company, DuPont Center for Collaborative Research & Education Wilmington, DE Dr. Christopher Hollinsed is Manager, Academic Programs, at the DuPont Center for Collaborative Research and Education. He has worked in a wide variety of science and technologyrelated roles in his career -- from hands-on research to technology planning to Ph.D. recruiting. The two companies for which he has worked, Polaroid and DuPont, have each been historically grounded in technological innovation. It is his experience in trying to make sense of the industryʹs response to a rapidly changing economic and business climate that Dr. Hollinsed brings to this work. He has lectured at ACS meetings and at several universities on the topic and is currently immediate past Chair of the ACS Division of Business Development and Management. He is the current Chair of the ACS Committee on Science. He was most recently symposium chair for an ACS Presidential event titled ʺDesigning Materials for Product Successʺ at the Philadelphia ACS meeting.

70


CONFERENCE SPEAKERS Dr. Edward Yokley, Executive Vice President and Founder Spherical Dynamics, Inc.

Dr. Edward M. Yokley has worked for Dow Chemical, Polaroid Corportion, Hoechst Celanese and Security Plastics, Inc. before becoming a founder of psiloQuest, Inc. and Spherical Dynamics, Inc. He has held positions in product and process research and development, technology management, marketing, and senior management. Dr. Yokleyʹs patents have covered applications from antidepressant pharmaceuticals, to holography, to semiconductor technology. He is currently Executive Vice-President of Spherical Dynamics, Inc. an Internet based, individual assessment consulting firm, for human resources and personal growth applications. Dr. Yokley received his B.S. in Chemistry from Xavier University in 1969, a Ph.D. in Organic Chemistry from Indiana University in 1973, and a M.S. in Management from the Sloan School at MIT in 1983.

Tuesday, PM

Wednesday, AM

GEM Fellowship Process Graduate School 6:30 - 7:30

Forensic Workshop 7:00 - 8:30

Mediterranean 1-3

Cordova 2

Mr. Thomas J. Janovsky, Deputy Assistant Administrator Office of Forensic Sciences, US Drug Enforcement Administration Washington, DC . Mr. Thomas J. Janovsky earned his baccalaureate degree in chemistry from St. Norbert College in De Pere, Wisconsin in 1971. In addition, Mr. Janovsky earned the Justice Management Certificate in Public Management from the University of Southern California Washington Public Affairs Center in Washington D.C. in 1993. Mr. Janovsky began his 29 years of federal service as a Forensic Chemist at the Drug Enforcement Administration (DEA) North Central Laboratory in Chicago, Illinois, where he served for 11 years. From 1985 to 1987, he served as a Supervisory Chemist at the DEA Northeast Laboratory in New York, New York. In 1987, he was promoted to a Supervisory Chemist at the DEA Special Testing and Research Laboratory in McLean, Virginia, where he served for four years. In January 1992, he was reassigned to DEA Headquarters where he served for a period of four years, working as a Program Manager in both the Laboratory Operations Section and Laboratory Support Section. Mr. Janovsky’s Headquarters’ tour included,

71


CONFERENCE SPEAKERS among many assignments, a one year detail to the Office of Inspections, and a six month assignment as the editor of Microgram. In 1995, Mr. Janovsky was promoted to Laboratory Director of the DEA Southeast Laboratory in Miami, Florida, where he served for three years. Mr. Janovsky was promoted and assigned to DEA Headquarters in July 1998, as the Associate Deputy Assistant Administrator for the Office of Forensic Sciences. In September 1999, Mr. Janovsky was promoted and assigned to his current position as the Deputy Assistant Administrator for the Office of Forensic Sciences. Mr. Janovsky served on the Board of Directors for the American Society of Crime Laboratory Directors (ASCLD) 1997-2001. He is a trained inspector for the ASCLD Laboratory Accreditation Board and has participated in the accreditation of three state laboratory systems in the United States. Mr. Janovsky is currently serving on the Organizing Committee for the 15th Interpol Forensic Sciences Symposium (2004), the Organizing Committee for the 2005 International Association of Forensic Sciences (IAFS) meeting and serves on the Editorial Board for the Journal of Forensic Sciences. Mr. Janovsky has served as a member at large of the SWG-DRUG core committee since 1998. In 2000, Mr. Janovsky initiated and currently serves as the Chairman of the International Drug Profiling Committee.

Dr. Douglas H. Posey Forensic Pathology Consultant National Forensic Science Consultants Dr. Douglas H. Posey is a board certified Forensic, Anatomic and Clinical Pathologist. He is also board certified in Blood Banking and Transfusion Medicine. Dr. Posey is a graduate of Alcorn State University with a Bachelor of Science degree in Biology and a graduate of Wayne State University with a Medical Doctorate degree. Dr. Posey is a Forensic Pathology Consultants with National Forensic Science Consultants. Prior to this position he was an Assistant Medical Examiner at the Joseph A. Jachimczyk Forensic Center in Houston, Texas. He is also a Clinical Assistant Professor in the Departments of Pathology at the Baylor College of Medicine, and at the University of Texas in Houston, Texas. Prior to his current position he was a Pathologist and Medical Laboratory Director at Bolivar Medical Center, Cleveland, Mississippi, and an Assistant Professor of Pathology at Howard University College of Medicine, Washington, D.C. and Meharry Medical College, Nashville, Tennessee. Dr. Posey has published and presented numerous articles related to forensic and general pathology. He is an active member of the American Academy of Forensic Sciences, and a fellow of the College of American Pathologist. Mr. Darrell L. Davis, South Central Laboratory Director US Drug Enforcement Administration Dallas, TX Mr. Darrell L. Davis is the Laboratory Director of The Drug Enforcement Administration’s, (DEA) South Central Laboratory. Mr. Davis career began in 1979, as a graduate from Prairie View A & M University where he received a Bachelor of Science Degree in Chemistry. He accepted a position as a forensic chemist with DEA’s Southwest Laboratory in San Diego, California. As a forensic chemist, Davis was responsible for analyzing seized evidence for the presence of

72


CONFERENCE SPEAKERS controlled substances. Mr. Davis was also qualified as an expert witness in over 10 states. After leaving the Southwest Laboratory in 1988, Mr. Davis transferred to the South Central Laboratory in Dallas, Texas where he was promoted to Senior Forensic Chemist. Davis was a leader in the laboratory as an expert in the seizure of clandestine laboratories. Additionally, he trained law enforcement personnel and state and local chemists in the manufacture of control substances. After two years in Dallas, Mr. Davis was promoted to Supervisory Chemist at the Northeast Laboratory in New York City, New York. There he was responsible for supervising over 10 employees. He later transferred to the Office of Forensic Sciences in Arlington, Virginia, and served as a Program Manager until he accepted his current position. Mr. Davis has received numerous awards which includes; 2 Outstanding Contributions, 3 Sustained Superior Performance, 2 Special Act or Service, 1 Outstanding performance, and a host of other recognition awards from DEA and other organizations. Mr. Davis was recently honored by the Black Engineers of the Year for Professional Achievement. The DEA’s laboratory system is recognized worldwide as the premier forensic drug laboratory. Mr. Davis takes great pride in being Laboratory Director of the DEA’s South Central Laboratory.

Wednesday, AM

Teachers Workshop 8:00 - 4:30

Del Lago 1 & 2

“Educators Emphasizing Success through Science and Technology” Sponsored by AAAS, NASA, Committee for Action Program Services

Dr. Saundra Y McGuire, Associate Dean of University College, Louisiana State University Saundra Yancy McGuire is the Director of the Center for Academic Success, Adjunct Professor of Chemistry, and Associate Dean of University College at Louisiana State University. She received her B.S. degree, magna cum laude, from Southern University, Baton Rouge, LA in 1970; her M.A. from Cornell University, Ithaca, NY, in 1971, and her Ph.D. in Chemical Education in 1983 from the University of Tennessee at Knoxville, where she received the Chancellorʹs Citation for Exceptional Professional Promise. Prior to joining LSU in August 1999, Dr. McGuire spent eleven years at Comell University, where she served as Acting Director of the Center for Learning and Teaching and Senior Lecturer in the Department of Chemistry. While at Comell she received the highly coveted 1991 Clark Distinguished Teaching Award. Dr. McGuire has been teaching chemistry for the past 30 years, and has previously held academic appointments at The State University of New York, Brockport; The University of Tennessee, Knoxville; and Alabama A & M University, Huntsville. She is actively involved in university curriculum reform efforts, and has written the Student Study Guide, Problem Solving Guide and Workbook, and Instructors Teaching Guide that accompanies the 2002 edition of the Russo Silver Introductory Chemistry textbook published by Benjamin Cummings.

73


CONFERENCE SPEAKERS Ms. Sherri Klug, Arizona State University/Mars Education Program Sheri Klug is the Director of the ASU Mars Education Program within the Mars Space Flight Facility, Department of Geological Sciences at Arizona State University. Ms. Klug is the formal education lead for the Mars Public Engagement Team at Jet Propulsion Laboratory in Pasadena, CA. She is the Education and Public Outreach representative on the Solar System Exploration Subcommittee for NASA Headquarters and a member of the Lunar and Planetary Institute Science Council for the Universities Space Research Association. She has a Bachelors and Masters Degree in Earth Science Education and is a certified teacher with K-12 science teaching experience. Ms. Klug has been involved in the Mars Exploration Program since 1995. Ms. Klug is a member of the NASA National Girl Scout Leadership training team and participates in Mars-related public outreach events. The ASU Mars Education Program provides hands-on, inquiry-based Mars workshops for K-16 educators, creates and coordinates Earth/Marsrelated national field trips. The ASU Mars Education Program was established over 13 years ago and emphasizes classroom and educator connectivity with Mars scientists and engineers. The ASU Mars Education Program is the facilitator of the Mars Student Imaging Project, which allows 5th grade through community college student teams across the US to participate in authentic Mars research using a spacecraft camera currently in orbit around Mars.

Wednesday, AM

Percy L. Julian Lecture 10:30 - 11:45

Mediterranean 1 & 2

Dr. James H. Wyche Professor of Biology, College of Arts and Sciences, and Molecular Pharmacology, School of Medicine University of Miami, Coral Gables, FL Professor James H. Wyche received his undergraduate degree from Cornell University in 1965 with a B.S. degree in microbiology. From 1965-66, he worked at Brookhaven National Laboratory as a research assistant in microbial genetics. He received his Ph.D. at Johns Hopkins in Biology in 1972. His thesis problem was in the area of histidine amino acid biosynthesis and genetic analyses using the microbe, Salmonella typhimurium. Upon receiving his Ph.D., he went to the University of California at Berkeley as a postdoctoral fellow in the Biochemistry Department working on the regulation of histidine biochemistry. In 1973, he moved to the University of California, San Diego to work on problems related to cellular endocrinology in animal cells. His first academic position (1974) at the University of Missouri - Columbia was a joint appointment in the Departments of Biological Sciences (Arts & Sciences) and Biochemistry (Medical School). He moved to Hunter College, City University of New York to take a position in the Department of Biology in 1981. During the course of a sabbatical leave in 1987 at Stanford Medical School, he decided to take the 74


CONFERENCE SPEAKERS position of Associate Dean of Biology and Medicine and Associate Professor of Medical Science at Brown University. In 1991 he was appointed Associate Provost and created with President Vartan Gregorian the Leadership Alliance (www.theleadershipalliance.org) based at Brown University with 28 member institutions to advance the number of underrepresented students going into academe and private industry. From 1991 to 2001 he served as Executive Director of the Alliance and its national and international initiatives in sixteen countries and as Professor of Medical Science. In addition, other pre-college, undergraduate and faculty programs were developed in the office when he served as executive director. In 2001 he served as interim-president at Tougaloo College, Jackson, MS and subsequently Vice-Provost and Dean, College of Arts & Science (CAS, from 2002-04) at the University of Miami where he currently (2002 to present) is Professor of Biology (CAS) and Pharmacology (Medicine). He has received grants from, consulted and served on panels for the National Institutes of Health, the National Science Foundation and private foundations. He is an active member of the American Society for Cell Biology and the American Society for Biochemistry and Molecular Biology, having also served on their national and international scientific committees. His current research area is investigating basic mechanisms regulating cell death or apoptosis in human cells and animals as a model system for studying the effect of natural products on cancer cells.

Wednesday Noon

12:00 – 1:30 Percy L. Julian Luncheon

Palazzo A - C

Dr. James M. Turner Assistant Deputy Administrator For Nuclear Risk Reduction National Nuclear Security Administration US Department of Energy Washington, DC Dr. James M. Turner was appointed Assistant Deputy Administrator for the office of Nuclear Risk Reduction (formerly International Nuclear Safety and Cooperation) in the National Nuclear Security Administration in May, 2002. Dr. Turner manages the work with Russia to stop production of weapons-grade plutonium at production reactor sites, and the transparency and monitoring work associated with the agreement with Russia to purchase Highly Enriched Uranium (HEU) derived from dismantled nuclear weapons. The office also provides technical and policy guidance to international organizations such as the International Atomic Energy Agency (IAEA), Nuclear Energy Agency (NEA), and others regarding programs to improve the safe use of nuclear power, as well as nuclear emergency situations. Previously, Dr. Turner was the Manager of the U.S. Department of Energy’s (DOE) Oakland Operations Office (OAK) in Oakland, California. As Manager of DOE/OAK, Dr. Turner was 75


CONFERENCE SPEAKERS responsible for 340 Federal employees in an office with an annual budget exceeding $2 billion. The principal mission of DOE/OAK was the management of the Federal research and development contracts for the Lawrence Livermore National Laboratory, the Lawrence Berkeley National Laboratory, and the Stanford Linear Accelerator Center. Prior to joining the Department, Dr. Turner was an Associate Professor of Physics and Engineering at Morehouse College in Atlanta, Georgia, and an Assistant Professor of Physics at Southern University, Baton Rouge, Louisiana. He was awarded a Bachelor of Science degree, with honors, from Johns Hopkins University, Baltimore, Maryland, in 1966, and a Ph. D. in Physics from the Massachusetts Institute of Technology in 1971. He is a member of Phi Beta Kappa, Sigma Xi, the American Physical Society, the American Nuclear Society, and the Council on Foreign Relations and has been a member of the Federal Government’s Senior Executive Service since 1988. Dr. Turner was a 1998 winner of the Presidential Rank Award of Meritorious Executive. He also received three Exceptional Service Awards including two for his contributions to the safety of the U.S. nuclear weapons stockpile and for his work to assist the Former Soviet Union. Dr. Turner was also recognized by the National Performance Review for his efforts with the DOE Safety Standards Committee. He is also a member of several prestigious Black professional and social organizations. Foreign Languages with varying proficiency include Chinese (Mandarin), German, French, Russian, and Japanese.

Wednesday, PM

NOBCChE Health Forum

Mediterranean 1 & 2

6:00 – 7:30

Betty S. Pace, MD Co-Chair, 2005 NOBCChE Health Symposium Associate Professor University of Texas at Dallas Department of Molecular and Cell Biology Dr. Betty S. Pace is currently an Associate Professor in the Department of Molecular and Cell Biology and Director of the Sickle Cell Disease Research Center at the University of Texas at Dallas. Dr. Pace provides leadership for a large basic research and teaching laboratory focused on gene regulation and drug discovery for sickle cell disease. Dr. Pace received her M.D. degree from the Medical College of Wisconsin and completed a Pediatric Hematology/Oncology fellowship at the University of Colorado Health Sciences Center in 1990. After completing post doctoral training in Medical Genetics at the University of Washington she joined the faculty at the University of South Alabama in 1994. Most recently Dr. Pace was recruited to the University of Texas at Dallas in 76


CONFERENCE SPEAKERS January 2003 where she currently serves as a valuable member of the faculty performing biomedical research, teaching and training undergraduate and graduate students. For the past 10 years the Pace laboratory has studied the developmental regulation of hemoglobin gene expression. The goal of Dr. Pace’s research is to design novel treatment strategies for sickle cell disease. The approach chosen involves fetal hemoglobin induction, which blocks sickle hemoglobin polymerization and improves symptoms in the disease. Major contributions have been made to the field by the Pace lab towards drug discovery using computer modeling. Studies to understand the molecular mechanisms and transcription factors involved gamma gene regulation is the main strategy used in the Pace laboratory. They have demonstrated an important role for cell signaling pathways in transmitting the effects of drugs used clinically to induce fetal hemoglobin. The p38 and ERK mitogen activated protein kinase pathways are the target of intense study to determine their ability to activate or repress gamma globin expression respectively. Other approaches being pursued in the Pace laboratory include analyzing the efficacy of antisense oligodeoxynucleotides in blocking the expression of the abnormal sickle beta globin gene. Promising gene-therapy vectors have been identified which are effective sickle beta globin gene blockers. Dr. Pace and her research team will expand this work to other more effective forms of blocking molecules such as siRNA and others as they become available.

Kwaku Ohene-Frempong, MD, Director, Children’s Hospital of Philadelphia, Comprehensive Sickle Cell Center

Born in Ghana, Kwaku Ohene-Frempong, M.D., came to the United States in 1966 to attend Yale University. He received his Bachelor of Science degree in Biology in 1970 together with the William Mallory Award for the Best Student Athlete at Yale. He went on to Yale School of Medicine from where he graduated in 1975. After graduation from Yale, he moved on to New York City for a residency in Pediatrics at the New York Hospital – Cornell Medical Center. In 1977, he came to The Children’s Hospital of Philadelphia for a three-year fellowship in Pediatric Hematology-Oncology. Upon completion of this subspecialty training, Dr. OheneFrempong went to Tulane University where he established the Sickle Cell Center of Southern Louisiana and served as its first Medical Director. He also became the Director of the Section of Pediatric Hematology-Oncology and Associate Professor of Pediatrics at Tulane University School of Medicine. Dr. Ohene-Frempong returned to The Children’s Hospital of Philadelphia in 1986, becoming the Director of the Sickle Cell Program under the Division of Hematology. In 1988, this Division won a grant from the National Institutes of Health to become one of the nation’s ten, National Institutes of Health-funded Comprehensive Sickle Cell Centers. Dr. Ohene-Frempong was named

77


CONFERENCE SPEAKERS the Center’s Director in 1990. The Center grant was successfully renewed for 1993-1998, 1998-2003, and again for 2003-2008. Dr. Ohene-Frempong served as a member of the Sickle Cell Disease Advisory Committee of the National Institutes of Health (1986-1990), chairing the Committee his final two years. In 1991, he was elected President of the Sickle Cell Disease Association of America (SCDAA), a position that was later renamed the Chief Medical Officer and in September 2003, he was elected Chairman of the National Board of Directors of SCDAA. Currently, Dr. Ohene-Frempong is a full-time member of the faculty of the University of Pennsylvania School of Medicine where he is Professor of Pediatrics. He is Board certified in Pediatrics and Pediatric Hematology-Oncology and is an Attending Hematologist and Director of the Sickle Cell Center at The Children’s Hospital of Philadelphia.

Vence Bonham, Jr. JD, Associate Investigator National Human Genome Research Institute, Social and Behavioral Research Branch, Chief, Education and Community Involvement Branch

Vence L. Bonham, J.D. Senior Advisor to the Director on Societal Implications of Genomics and Chief of the Education and Community Involvement Branch at the National Human Genome Research Institute (NHGRI), National Institutes of Health, in Bethesda, Maryland. In his role as Senior Advisor to the Director, Mr. Bonham co-chairs the NHGRI Working Group on Race, Ethnicity, and Genetics that provides the Institute and NIH guidance as genomics research uncovers the relationships between genomics, race and ethnicity. Mr. Bonham also heads the Education and Community Involvement Branch, which leads NHGRI’s public education and community involvement and outreach initiatives. He is responsible for leading public education initiatives and structuring how the Institute reaches out and engages various types of communities, such as those that are underserved, in biomedical research participation. Prior to his appointment at the National Institutes of Health, Mr. Bonham was an associate professor in the Department of Medicine, Division of Health Services Research at Michigan State University. Mr. Bonham was an investigator on an NIH funded project, Communities of Color Genetics Policy Project, and was Principal Investigator on the Michigan Demonstration GENE Project (Genetics Education Needs Evaluation) which was funded by a cooperative agreement between the Health Resources and Services Administration and the March of Dimes. Mr. Bonham is an Associate Investigator in the Social and Behavioral Research Branch of the Division of Intramural Research at NHGRI. Mr. Bonham’s research focuses on, ethical, social, and policy issues related to the impact of genomics in medical and non-medical settings. His research

78


CONFERENCE SPEAKERS includes the study of socio-economic status, racial and ethnic health disparities; the use of community engagement strategies in the development of health policy; the study of health professionals and the public’s understanding of race, ethnicity, and genetics; and the role of race and genetics in medical decision-making.

Thursday, AM

Instructor

Professional Development Workshop 4 9:00 - 10:50 Del Lago 1 & 2 “Strategies for Job and Career Transitioning” Dorothy Rodmann, Career Consultant American Chemical Society, Washington, DC

Dorothy Rodmann is a Career Consultant for the American Chemical Society Department of Career Services and the former Administrator of the Scholars’ Program. In her career consultant role, Dorothy’s major focus is the development and presentation of career programs for ACS members. Dorothy is also one of the authors of an ACS publication entitled Career Transitions for Chemists. She helped develop the first workshop on job searching for the Society in 1987 and has been presenting this workshop since its introduction. Dorothy is active in career counseling for the Washington community and is a member of the International Outplacement Association. Dorothy is a prime example of the ability to transition. She has an undergraduate degree from George Washington University in economics with minor in psychology and has completed graduate work in economics. For over 25 years, Dorothy has worked in the human resources management field where she rose to a senior management position. She was formerly the Director of Human Resources for the American Chemical Society’s Washington Office. The broad experience in human resources has given Dorothy expert knowledge of the workplace and individual career management techniques needed for survival in today’s workplace environment.

Thursday, PM

Plenary Session 1:00 - 3:00

Mediterranean 2&3

Dr. Sylvester James Gates, Jr. John S. Toll Professor of Physics University of Maryland College Park, MD At the Massachusetts Institute of Technology, Professor Gates completed his undergraduate education (1969-1973) and received two B.Sc. degrees (Mathematics & Physics). His Ph.D. (1977, 79


CONFERENCE SPEAKERS physics) was conferred for studies of elementary particle physics and quantum field theory. Thus, began his research into the topic known as ``supersymmetryʹʹ with his thesis being the first devoted to this subject at M.I.T. His postgraduate studies started as a Junior Fellow of the Harvard Society of Fellows (1977-1980) and ended with an appointment at Caltech (1980-1982). Faculty appointments began at MIT (1982-1984) and later continued at the University of Maryland at College Park (1984-present). From 1991-1993, he was on leave of absence and served as Physics Professor and Departmental Chair at Howard University. In July, 1998 he was named the first John S. Toll Professor of Physics and thus the first African-American to hold an endowed chair in physics at a major research university in the U.S. Prof. Gates has authored or co-authored over 120 research papers published in scientific journals, co-authored one book and contributed numerous articles in others. His research, in the areas of the mathematical and theoretical physics of supersymmetric particles, fields and strings, covers topics such as the physics of quarks, leptons, gravity, super and heterotic strings and unified field theories of the type first envisioned by Albert Einstein. Dr. Gates travels widely speaking at national and international scientific meetings. To date he has supervised 14 Ph.D. students, including two African-Americans, to graduation. He began teaching, at first college undergraduates, in 1972 as a summer calculus instructor at MIT and has since taught mathematics or physics without interruption. The Washington Academy of Sciences named him as its 1999 College Science Teacher of the Year. He addresses issues of general education through lectures to groups interested in science and mathematics. Other lectures and writings discuss the challenge of technical education for African-Americans and the issues of affirmative action, diversity and equity. A member of the American Physical Society (APS), Sigma Xi and the National Society of Black Physicists (NSBP) (http://www.nsbp.org/), he is a past president of the NSBP. Dr. Gates has served as a consultant for the National Science Foundation, Department of Energy, Department of Defense, the Educational Testing Service and Time-Life Books. He was chosen as the first recipient of the APS Bouchet Award and is a Fellow of the APS and NSBP. From MIT in 1997, he was bestowed with the Martin L. King, Jr. Leadership Award. He also has served on the executive board of the APS and was a member of the 62nd College of Distinguished Lecturers of Sigma Xi. He is also a member of the board of directors of the Quality Education for Minorities Network (QEM). His works and that of others were highlighted on a program ``The Path of Most Resistance,ʹʹ as part of the PBS television series ʺBreakthrough: The Changing Face of Science in Americaʹʹ with an initial broadcast in April of 1996. As well, he was a featured subject in the Horizon section of the Dec. 11 edition of the Washington Post. In January, 1998 he made a second television appearance in ``Mysteries of the Universeʹʹ as part of the PBS series ``A Science Odyssey.ʹʹ In March of 1998, he appeared on the simultaneous C-Span television broadcast and Internet cybercast of the second Millennium Lecture by Prof. Stephen Hawking from the White House. Prof. Gates was asked to provide comments on the topic of supersymmetry for the broadcasts and live audiences including In Feb. 2001, he participated in the first annual Isaac Asimov Panel Debate held at the Hayden Planetarium with Brian Greene, Sheldon Glashow, Lawrence Krauss, Lisa Randall and Neil Tyson. The title of the debate was ``The Theory of Everythingʹʹ and it hosted a live audience in excess of one thousand people. In May 2001, Prof. Gates received the degree of Doctor of Humane Letters, honoris causa before giving a commencement address to the Georgetown University Graduate 80


CONFERENCE SPEAKERS College of Arts and Sciences. U.S. President, William J. Clinton. A cybercast ʺSuperstrings: Einsteinʹs Dream at the New Millenniumʺ is available via high speed connection and Real Player software from the U.S. Library of Congress at http://www.loc.gov/loc/cyberlc/ or at the U.S. National Science Foundation at http://www.n sf.gov/od/lpa/lecture/stringtheory.htm as an alternate. Finally, an account of some of his professional experiences during his time from of being an undergraduate at MIT to becoming an assistant professor of applied mathematics can be found in a book entitled, ``Technology and the Dream: Reflections on the Black Experience at MIT, 19411999.ʹʹ by C. G. WIlliams (MIT Press). Prof. Gates is married to a pediatrician, Dr. Dianna Abney, and they have a set of twins, a son and daughter. The family resides in Mitchellville, MD.

Thursday, PM

Professional Development Workshop 5 3:30 - 5:00 “Voices of NOBCChE Women”

Del Lago 1 & 2

Moderator Dr. Jeanette Brown, Société Fellow, Chemical Heritage Foundation, Philadelphia, PA 19106 Jeannette E. Brown graduated from high school in 1952 and entered New York Cityʹs Hunter College, where she majored in chemistry. She was one of two African Americans in Hunterʹs first class in a new chemistry major program. After college graduation, Brown went to the University of Minnesota, where in 1958 she received an M.S. in organic chemistry. Her research focus at Minnesota was in organic chemistry. After graduation, she became a research chemist at Ciba Pharmaceutical (now Novartis) and worked there for 11 years. In 1969, she moved to Merck & Co. For the next 26 years, until she took early retirement in 1995, she synthesized compounds for testing as potential new drugs. Brown served on Merckʹs Black University Liaison Commission and was an adviser to faculty and students at Grambling State University. Miss. Brown received Merckʹs Management Award for her work in mentoring HBCU students. Her outreach efforts extended beyond the university level. As part of the National Science Foundation Visiting Women in Science Program, Brown visited high schools in Philadelphia, acting as a role model for students and faculty. She also served for six years on NSFʹs Committee on Equal Opportunities in Science & Engineering and was able to influence policy on programs for minorities nationwide.

81


CONFERENCE SPEAKERS After retirement, she joined New Jersey Institute of Technology, Newark, and became director of the Regional Center for the New Jersey Statewide Systemic Initiative. The center focuses entirely on precollege minority students and their science and math teachers. She recently retired from NJIT and is now the 2004 Société de Chimie Industrielle (American Section) Fellow of the Chemical Heritage Foundation, studying the history of African American women chemists. Brown has been active in ACS as a councilor, focusing on diversity in elected governance. She also chaired Project SEED at the national level and remains active in this social action program in the North Jersey Section. In 1990, the Metropolitan N.Y. Chapter of the Association of Women in Science named Brown an ʺOutstanding Woman in Science.ʺ A year later, she was elected to the Hunter College Hall of Fame. In 2002, she received the ACS Women Chemists Committee Regional Award for Contributions to Diversity. Miss Brown will receive an ACS Award for ʺEncouraging Disadvantaged Students into Careers in the Chemical Sciencesʺ at the ACS national meeting in San Diego. Her award address will be presented before the Division of the History of Chemistry at the fall ACS national meeting in Washington, D.C. The award is sponsored by the Camille & Henry Dreyfus Foundation Inc.

Friday Noon

12:00 – 2:30 Students Awards Luncheon

Mediterranean 4

Dr. Calvin Mackie Tulane University Mechanical Engineering Department Calvin Mackie earned a Bachelor of Mechanical Engineering from Georgia Tech and a Bachelor of Science in Mathematics from Morehouse College in 1990. He earned a Master of Science in 1992 and the Doctor of Philosophy in 1996 in Mechanical Engineering from Georgia Tech. He joined the faculty at Tulane University in 1996 where he continues to pursue research related to heat transfer and fluid dynamics of phase change systems, energy efficiency and renewable energy. Mackie received the 2002 Black Engineer of the Year Award for College Level Educator, the Pi Tau Sigma/ASME Excellence in Teaching Award in Mechanical Engineering for 1999-2000 and 2001-2002, received a patent on a device to retrofit luggage stowbins on 737 and 757 Boeing commercial airliners in 1996 and authors a motivational column entitled, “Think About It!” for the Black Collegian Magazine. Mackie is a nationally sought after motivational and educational speaker and has presented to numerous civic, educational and private institutions and Fortune 500 corporations. 82


Improving the world’s food, water, shelter, and transportation. It’s not a UN conference. It’s a company’s mission. Visit Dow’s website and you’ll see that our mission is, literally, to

Health

constantly improve what is essential to human progress by mastering science and technology. Visit any of the over 60 countries where Dow is working and you’ll see the fruits of our labors: hardier, healthier

Lifestyle Communication

crops; cleaner water; stronger building and transportation materials; more resilient and versatile fabrics; and smaller, energy-efficient electronics. Which isn’t meant to say “mission accomplished” as much

Transportation Building

as “mission well worth accomplishing.”

www.dow.com

TM

Trademark of The Dow Chemical Company


TECHNICAL ABSTRACTS Monday, PM Session Chair Monday, PM

Atmospheric Chemistry I 1:30 - 3:00

Cordova 2

Dr. Vernon Morris, Department of Chemistry, Howard University Cordova 2

1:30 - 2:00

ʺThe Reflections of Forty Years in Astrochemistryʺ William M. Jackson University of California at Davis, Department of Chemistry, Davis, CA 95616. Abstract Over the last forty years their have been dramatic changes in our understanding of the role of chemistry in astronomy, particularly in the chemistry of comets. The author will describe these changes and point out his involvement in them. A description will be given of some of the future observations of comets from the ground and space that are in process or being planned. The laboratory work that is needed to support these observations will be described. The authors gratefully acknowledge the support of this work by the National Science Foundation (NSF) (Grant No. CHE-0100965) and NASA (Grant No. NAG 5-12124).

Monday, PM

Cordova 2

2:00 - 2:15

ʺThe Airy Truth About Washington, DC: Spatio-Temporal Distribution of Particulate Matter Exposures In Washington, DCʺ Natasha A. Greene*1 and Vernon R. Morris, Ph.D.1, 2 Howard University, 1Program in Atmospheric Sciences, 2Department of Chemistry, Washington, DC 20059 Abstract The District of Columbia ranks seventh highest as one of the unhealthiest places to live due to poor air quality (EPA Report, 1999). Particulate matter is one of the major contributors to pollution in the Washington, DC environment. Quite often ambient airborne toxics are closely associated with particulate matter. Fine aerosols are characterized as particles with diameters smaller than 1 µm and are easily deposited into the alveolar regions of the human lungs, which can impose severe health risks. In this study, highresolution aerosol measurements of PM2.5 and heavy metals like chromium, lead, cadmium and arsenic, in four wards of Washington, DC have been performed. Spatial distributions of both aerosols and heavy metals are characterized as a function of size and mass properties.

84


TECHNICAL ABSTRACTS Monday, PM

Cordova 2

2:15 - 2:45

ʺAerosol Measurements During the NCAS Trans-Atlantic Saharan Dust AERosol and Oceanographic Science Expedition (AEROSE)ʺ Vernon Morris Howard University, Department of Chemistry and Graduate Program in Atmospheric Sciences, Washington, DC 20059 Abstract The NOAA Center for Atmospheric Sciences (NCAS) at Howard University recently conducted a 27-day mission to characterize the evolution of chemical and physical properties of Saharan Dust during its spring time trans-Atlantic transport. The mission was designed to perform integrated atmospheric, oceanographic and satellite-based science in support of a large-scale study a single scientific phenomenon - Saharan Dust. A large suite of aerosol and chemical measurements were performed. The primary aerosol measurements were total black carbon aerosol, total condensation nuclei, PM10, size-fractionated aerosol mass distributions, and size-fractionated number distributions. Aerosol filter sampling for chemical, mycological, biological, and microphysical analysis was also performed. An overview of the preliminary results from the study will be presented.

Monday, PM

2:45 - 3:00

Cordova 2

ʺ Ion Mobility Spectroscopy Measurements Of Atmospheric Ammoniaʺ Latoya Myles and 1Larry Robinson National Oceanic & Atmospheric Administration, Atmospheric Turbulence & Diffusion Division, Oak Ridge, TN, 37830 Florida A&M University, Environmental Sciences Institute, Tallahassee, FL

1

Abstract Ion mobility spectrometry is a novel technique that can quantify atmospheric ammonia (NH3) on a real-time basis. A dual-cell AirSentry ion mobility spectrometer (ASIMS) measured ambient ammonia in suburban Hillsborough County, FL from October 1, 2003 to October 16, 2003. The concentration distribution was bimodal with two means determined from the data set. The first half of the data set had a mean and standard error of 1.4 ± 0.1 ppb, which was ascribed to background levels of ammonia while the second mean concentration, 3.5 ± 0.1 ppb, represented the contribution from emission sources. Joint frequency distributions of wind direction and ammonia concentration were used to develop pollution roses. Higher ammonia concentrations occurred in winds from the north, north-northeast, and southwest sectors, where known ammonia emitters were located.

85


TECHNICAL ABSTRACTS

Organometallic, Heterocyclic, and Polymer Organic Chemistry Cordova 3 1:30 - 3:00 Dr. Lamont Terrell, GlaxoSmithKline, King of Prussia, PA

Monday, PM Session Chair

Presenters Monday, PM 1:30-1:45 Cordova 3 ʺDivergence of Carbonyl Ylide Reactions as a Function of Diazocarbonyl Compound and Aldehyde Substituent – Dioxolanes, Dioxolenes, and Epoxides,ʺ Albert E. Russell,1 Jonathan Brekan,2 Luisa Gronenberg,2 and Michael P. Doyle*1,2 1

Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland, 20742; 2Department of Chemistry, University of Arizona, Tuscon, Arizona 85721

Abstract The products from dirhodium(II) acetate-catalyzed reactions between diazocarbonyl compounds and a series of benzaldehydes demonstrate the extent of competition between intramolecular and intermolecular trapping of carbonyl ylide intermediates and the electronic effects that govern these transformations.

R=

O

CO2Me CO2Me O

Ar O

MeO

Ar +

CO2Me

H O CO2Me

Ar

O R

OMe + ArCHO N2

Rh2(OAc)4

R= Me

O

Me

O Ar

MeO2C

DCM, reflux

TBDMSO R=

O

TBDMSO CO2Me O H

Ar

With dimethyl diazomalonate, competition exists between dioxolane and epoxide formation so that with panisaldehyde only epoxide formation is observed, and with p-nitrobenzaldehyde only 1,3-dioxolane products are formed. With methyl diazoacetoacetate, intramolecular trapping of the intermediate carbonyl ylide results in the sole production of dioxolenes. However, the vinyldiazoacetate analogue of methyl diazoacetoacetate, as its tert-butyldimethlsilyloxy derivative, only produces epoxides in its reactions with substituted benzaldehydes.

86


TECHNICAL ABSTRACTS Monday, PM Cordova 3 1:45-2:00 ʺThe First General Enantioselective Catalytic Biginelli Reactionʺ John Mabry and Bruce Ganem* Cornell University, Department of Chemistry and Chemical Biology, Ithaca, NY 14853 Abstract The Biginelli reaction is an acid catalyzed three component condensation reaction between a β-ketoester, an aldehyde, and urea that yields dihydropyrimidinones (DHPMs) in modest yields.i DHMPs have been shown to have a broad range of biological effects. In recent years, improved protocols have led to increased yields using a variety of substituents.ii However, these conditions yield racemic mixtures of DHPMs at the C4 position which have profound effects on its pharmacological activity.iii We report the first general applicable asymmetric synthesis of DHPMs (Scheme 1). We have developed a catalytic enantioselective method using the proline structural motif. This paper will discuss: (1) the synthetic design of proline hydrochloride salts and its stereochemical effects leading to the absolute configuration of DHPMs, (2) our proposed mechanism leading to enantiomeric enhancement of DHPMs, and (3) the scope and limitations of a variety of substituents on each of the three reactants using our method.

O EtO2C H3C

+ O

L -Proline Ester HCl salts

H

EtOH, ∆

*

5 4 3 61 2

N

H

N O H modest to excellent yields and ee's H3C

NH2 H2 N

EtO2C

O

Scheme 1

(a) Biginelli, P. Ber. 1891, 24, 1317. (b) Biginelli, P. Ber. 1893, 26, 447. (c) Biginelli, P. Gazz. Chim. Ital. 1893, 23, 360. For a recent review see: Kappe, C. O. Acc. Chem. Res. 2000, 33, 879. 1 Rovnyak, G. C.; Kimball, S. D.; Beyer, B.; Cucinotta, G.; DiMarco, J. D.; Gougoutas, J.; Hedberg, A.; Malley, M.; McCarthy, J. P.; Zhang, R.; Moreland, S. J. Med. Chem. 1995, 38, 119-129. 1 1

Monday, PM Cordova 3 2:00-2:15 ʺTransition Metal Catalyzed Oxidation Of Secondary And Benzylic Alcohols Using Nitrous Oxide,ʺ Salena R. Whitfield, Melanie S. Sanford* University of Michigan, Department of Chemistry, Ann Arbor, MI 48109 Abstract Nitrous oxide is an attractive oxidant for use in synthetic chemistry because of its potent oxidation strength, production of only benign molecular nitrogen as a byproduct, and chemical inertness towards substrate functional groups. However, despite these benefits, the use of nitrous oxide as a terminal oxidant remains rare. This presentation will describe the use of N2O as a terminal oxidant in palladium and ruthenium catalyzed oxidation of alcohols. These reactions are dramatically affected by a variety of variables including

87


TECHNICAL ABSTRACTS solvent, pressure, base, time, and additives. These effects will be described in detail with respect to theoxidation of both secondary and benzylic alcohols. Preliminary insights into optimal catalyst design will be discussed based on current results. Preliminary mechanistic insights into these N2O oxidations will also be described.

Monday, PM Cordova 3 2:15-2:30 ʺSynthesis And Characterization Of A Library Of Amide Derivatives Of Podocarpic Acid For Cytotoxicity Studiesʺ Nicole John, Raymond J. Butcher and Oladapo Bakare* Department of Chemistry, Howard University, Washington DC 20059 Abstract Our studies are focused on the development of novel anti-carcinogenic agents based on natural product scaffolds. Previous studies have suggested podocarpic acid as an attractive scaffold for conversion into compounds with interesting biological activities. Podocarpic acid possesses the ring system common to most tricyclic diterpenoids and it is readily available from the New Zealand conifer Dacrydium cupressinum. Some podocarpic acid analogs have recently been reported as novel cytokine release inhibitors and consequently as leads to the discovery of novel anti-inflammatory drugs. In this paper, we describe the design, synthesis and characterization of a small library of N-alkyl, benzyl and heterocyclic amide derivatives of podocarpic acid as potential anticancer agents. The reaction of podocarpic acid with dimethyl sulfate furnished 12-methoxy podocarpic acid, which was subsequently converted to the acid chloride. In-situ reaction of the acid chloride with several aliphatic amines, benzylamine derivatives and some heterocyclic amines furnished the corresponding amide derivatives. These compounds were characterized by infrared spectroscopy (IR), 1Hand 13C-NMR spectroscopy, and x-ray diffraction studies.

Monday, PM

Cordova 3 2:30-2:45 ʺPentafluorophenylation Of Arenes And Heteroarenesʺ Happy Kinyili_, Yesol Huh, Joshua D. Lawrence and John F. Hartwig*

Department of Chemistry, Yale University, New Haven, CT 06520-8107 Abstract. Fluorinated organic molecules make up approximately 40-45% of agrochemicals and 20-25% of pharmaceuticals. We aimed to discover or improve methods for C-H bond activation and subsequent formation of pentafluorophenyl-biaryls. We have found several new ruthenium catalysts for the pentafluorophenylation of arenes and heteroarenes. In addition to the desired biphenyls, we observed pentafluorophenyl thioethers in several reaction mixtures. These products most likely arise from the thermally - initiated radical reaction between the cyclohexane solvent or arene substrate and C6F5SCl, produced in situ. Thermal reaction of C6F5SCl with cyclohexane gave C6F5S-C6H11 in a 35% yield; reaction with n-decane gave four of the five possible products.

88


TECHNICAL ABSTRACTS Monday, PM Cordova 3 2:45-3:00 ʺSelective Photochemical Reactions Of Tetrahydro-1,4-Naphtho-quinones In NaY Zeolitesʺ Alvah Tyson Wickboldt*1, Thomas Poon2 Claremont McKenna College, Claremont, CA 91711 Joint Science Department, Claremont McKenna, Scripps, and Pitzer Colleges, Claremont, CA 91711 1

2

Abstract Previously, Scheffer and coworkers have shown that various tricyclic sesquiterpenes (2-4) can be synthesized photochemically from butadiene-p-benzoquinone Diels-Alder adduct (1). We report a new approach for selectively generating the tricyclic product 4 using zeolites to exert supramolecular control over the photorearrangement. Selectivity is achieved through a combination of excitation wavelength and solvent. The latter represents a previously unreported solvatocontrol of product selectivity within zeolites.

> 350 nm hνν λ →

1

2

3

4

Monday, PM

Environmental Chemistry Cordova 2 3:00 - 4:30 Session Chair Dr. Gloria Thomas, Chemistry Department, Mississippi State University, Mississippi State, MS Monday, PM Cordova 2 3:00-3:15 ʺA Bathymetric Study Of Agricultural Surface Impoundments Along The Abrams Creek Watershed Within The Flint River Basinʺ Warren V. Carmichael Jr., 1Carol Forthman, 2Gary Mahon, 2Richard Marella

1

Florida A&M University, Environmental Sciences Institute, Tallahassee, FL USA 2USGS-FISC Florida Integrated Science Center, Tallahassee, FL USA

1

Abstract Surface water impoundments used for agricultural irrigation have affected the available water in the Apalachicola, Chattahoochee, and Flint River basin. Thousands of relatively small impoundments have retained water that would otherwise flow directly into creeks and tributaries of the Flint and Chattahoochee

89


TECHNICAL ABSTRACTS Rivers in southwest Georgia. In addition, many impoundments are augmented with ground water. Geographic Information System coverages of these impoundments have been developed, but the volumes of water retained have not been established. Through analyzing topographic maps, aerial photos, and ground truthing, the surface impoundments will be located and verified. Land elevations will be compared to the water table, and depth measurements will be taken in accordance with land owners. This research within the Abrams Creek watershed will help quantify volumes retained in a small watershed and help define a methodology to use for future studies.

Monday, PM Cordova 2 3:15-3:30 ʺAnalysis Of Arsenic And Other Trace Metals In Drinking Water Through The Utilization Of ICP-MSʺ D’Vesharronne Moore¹, Aref M. El-Demerdash2, and Bobby Wilson3 ¹ NASA University Research Center, Texas Southern University, Houston, Texas 77004 ² Assistant Professor, Department of Chemistry , Texas Southern University, Houston, TX 77004 3Environmental Research Technology and Transfer Center, Director, Texas Southern University, Houston, TX 77004

Abstract Arsenic is a silver-gray or white metallic element that occurs naturally in the earth’s crust. Arsenic is introduced into water through natural processes or as a result of industrial activity. Arsenic is released into the environment from natural processes such as the weathering and dissolution of arsenic-containing minerals and ores.iv Arsenic is also released from a variety of anthropogenic sources including the manufacturing of metals and alloys, petroleum refining, chemical manufacturing, the burning of fossil fuels, and waste incineration.1 Arsenic is a known poison, it is also a human carcinogen shown to cause skin, lung, bladder, liver, kidney and prostate cancer. Due to the human health risks associated with arsenic, the United States Environmental Protection Agency regulates the levels of arsenic in drinking water.1 The current standard of 50 ppb was set by the EPA, based on a public health service standard.1 The research methodology used in this analysis will adhere to EPA Method 200.8. EPA Method 200.8 is used for the determination of trace metals in water and wastewater by Inductively Coupled Plasma-Mass Spectrometry.v EPA Method 200.8 describes the multi-element determination of trace elements in waters and wastewater by ICP-MS.vi ICP-MS is a powerful tool for detecting and analyzing trace and ultra-trace elements. Selective ion monitoring can be used to obtain a method detection limit as low as 0.4 µg/L which is precise enough to detect the amount required for the EPA. ICP-MS is an excellent instrument for the determination of trace level metals in water and wastewater samples, combining speed with excellent sensitivity. The objective of this study is to analyze drinking water for the presence of trace metals, primarily arsenic, through the utilization of ICP-MS.

90


TECHNICAL ABSTRACTS Monday, PM Cordova 2 3:30-3:45 ʺColorimetric Determination Of Lead In Water At Howard Universityʺ Satara Brown, Neil Gibson, J. Patrick Rogers & Charles M. Hosten* Howard University, Department of Chemistry, Washington, DC 20059 Abstract In January 2004, tap water tests were conducted and thousands of homes in the District of Columbia tested higher than the federal limit of 15 ppb. Beginning in June 2004, preliminary tests for lead were conducted in various buildings around the campus of Howard University. Eleven buildings on campus were sampled, along with one dormitory. Two to four samples of water were taken from various outlets in each building, including kitchen faucets, restroom or bathroom faucets, laboratory faucets, and water fountains. Approximately, one liter of water was taken from each outlet. Initial and 1st follow-up samples were “first draw”. The samples consisted of the first plug of water from an outlet after the outlet has been unused for 8 hours or more. “First draw” water, which is a measure of the lead content of the water in the outlet, contains the highest concentration of lead. All analyses were performed using the EPA approved LeadTrak Fast Column Extraction Method of analysis with the use of the Pocket Colorimeter II, which is distributed by the Hach Company. Each day prior to testing the samples collected, the colorimeter was calibrated to ensure accuracy in our results. In charting the results, the accepted normal values of lead are lower than 15 ppb. Samples that resulted in lead levels above 15 ppb, which is the EPA action level, were retested using newly collected samples. While examining the mean values for initial testing of each sample, there were four samples that needed extensive examination. These four samples had concentrations that exceeded the allowable limit of 15 ppb. These samples were from three different buildings on the campus of Howard University. One sample was from the water fountain on the ground floor of the Blackburn University Center. The second sample came from the water fountain on the first floor of the Human Ecology Building. The remaining two samples were from the water fountains on the first and second floors of Alain Locke Hall. The mean concentrations for these fountains were 47 ppb, 40 ppb, 22 ppb, and 26 ppb, respectively. In follow-up testing, these four outlets yielded results of 60 ppb, 36 ppb, 21 ppb, and 25 ppb, respectively. This is a preliminary study that collected water samples from various buildings on the campus of Howard University. From these results, it is recommended that a more thorough investigation be conducted. The buildings that continually yielded high results should undergo further study to determine the precise point of contamination.

Monday, PM Cordova 2 3:45-4:00 ʺPreliminary Analysis Of Vocs Present In Brazoria County Public Drinking Water,ʺ Lindsey Scott1*, Jeremy Ross1, Camisha Ruffins1, Andrea Oyewole2, Dr. Renard Thomas3, Dr. Bobby Wilson

1

Texas Southern University, Houston, Texas 77004 NASA Summer Research Interns 2004, 2Graduate Assistant in NASA Summer Research Internship 3Research Coordinator and Mentor in NASA Summer Research Internship Abstract

This project assessed the presence and nature of volatile organic compounds (VOCs) in water samples taken from eight cities in Brazoria County, Texas (Angleton City Hall, Brazoria C. H, West Columbia C. H, Manvel C. H., Alvin C. H., Pearland C. H., Sweeney C. H., and Freeport Fire Department). EPA method 524.2 (Purge and Trap and GC-MS) was employed in order to analyze all VOCs present in these samples. The data collected will be used to make an assessment of any potential adverse health effects which may arise from long term exposure from concentrations of VOCs which exceeded the maximum contaminant levels (MCL) recommended by the EPA for VOCs in water.

91


TECHNICAL ABSTRACTS Monday, PM Cordova 2 4:00-4:15 ʺA Field Study On Identification And Quantification Of Volatile Organic Compounds (VOCs) In Public Indoor Parking Facilities At Houston, Texas,ʺ Gabriel.A.Kristanto, Renard Thomas, Felicia Conley, and Bobby Wilson Texas Southern University, Chemistry Department, Houston-Texas 77004 Abstract The air quality in public indoor parking facilities is a major concern to many people since it can impact human health due to vehicular emissions such as CO, CO2, NOx, SO2, and VOCs. In this study, two different types of public indoor parking facilities were analyzed for VOCs concentration: above ground parking and underground parking. Sixteen samples of air from underground locations and eighteen samples of aboveground locations were analyzed. Samples were taken using Entech Silonite canisters and analyzed for VOCs by an Aglient 6890 GC with a 5973 MS detector using EPA method TO15. A calibration standard containing 34 VOCs were used and eight of these VOCs were identified in every public indoor parking location with the highest concentration being toluene for both types of public indoor parking facilities. Results showed that underground parking facilities had higher concentrations of total VOCs compared to aboveground. This appears to be due to limited interaction with the ambient environment in underground parking. The primary objective of this study is to develop an understanding of human daily exposure to indoor VOCs in public facilities and increase awareness of the occupant to vehicle emissions.

Monday, PM Cordova 2 4:15-4:30 ʺAntioxidant Vs TNT Phytoremediation Potential Of Edible Plantsʺ Lovell Agwarambgo1*, Steven Larson2, Protiti Khan3 1Dillard University, Department of Chemistry; New Orleans, La 70122 2U.S. Army Corps of Engineers, Waterways Experiment Station, Environmental Chemistry Branch, Vicksburg, MS. 3University of Miami, Coral Gables, Florida Abstract Phytoremediation is a viable, effective, and economically attractive technology that uses plants to remove chemical contaminants from soil and groundwater. A major munitions contaminant, TNT, can be remediated by several plants such as Myriophyllum aquaticum (Parrot Feather), and Catharanthus roseus (1). This study focuses on screening plants that have natural antioxidant phytochemicals for their ability to remediate TNT from groundwater and soil. Three kinds of bell peppers, Capsicum frutescens, (green, red, and yellow), which contain both the antioxidant phytochemicals (carotene and vitamin C) and tomato, which also contains vitamin C, were tested to confirm their antioxidizing and remediation abilities respectively. Results for remediation abilities were analyzed by high performance liquid chromatography (HPLC). Results also suggested that plants which had antioxidant properties were also able to remediate TNT effectively, thereby suggesting a possible correlation between antioxidant and phytoremediation abilities of the plants studied.

92


TECHNICAL ABSTRACTS

ANTI-OXIDATION & PHYTOREMEDIATION OF EXPLOSIVES BY PLANTS

Monday, PM

Polymer Chemistry I Cordova 3 3:00 - 4:30 Session Chair Dr. Malika Jeffries-El, Chemistry Department, CarnegieMellon University, Pittsburgh, PA Presenters Monday, PM Cordova 3 3:00-3:15 ĘşPatterning of DNA Microarrays on UV Photo-Activated PMMA for the Detection of Low Abundant Point Mutations in K-ras GenesĘş Catherine Situma [Presenter], Mateusz Hupert and Steven A. Soper Louisiana State University, Chemistry Department, Baton Rouge, LA Abstract We will describe a simple UV-photomodification protocol of poly (methyl methacrylate) (PMMA) to produce functional scaffolds consisting of carboxylic groups that allow covalent attachment of amineterminated oligonucleotide probes to these surfaces through carbodiimide coupling. The method reported herein involves the use of polydimethylsiloxane (PDMS) microchannels reversibly sealed to the photofunctionalized PMMA surfaces to serve as substrates for patterning the oligonucleotide probes. After array construction, the PDMS is rotated 90o to allow interrogation of the array using microfluidics. We will demonstrate the use of this procedure for screening multiple K-ras mutations possessing high diagnostic value for colorectal cancers.

93


TECHNICAL ABSTRACTS Monday, PM Cordova 3 3:15-3:30 ʺIntegrating Polymer Based Microchip Electrophoresis To Online MALDI MSʺ Harrison K. Musyimi [Presenter], Jason Guy, Kermit K. Murray and Steven A. Soper Louisiana State University, Chemistry Department, Baton Rouge, LA Abstract We will report on the coupling of a polymer-based microfluidic chip to MALDI MS using a rotating ball interface. The chips are microfabricated by micromilling a mold insert into a brass plate, which is then used for replicating polymer microparts via hot embossing. Assembly of the chip is accomplished by thermally annealing a cover slip to the embossed substrate to enclose the channels. The separation channel is 50 µm wide, 100 µm deep and 8 cm effective length. The exit of the separation channel is machined for direct contact deposition of effluent onto a specially constructed ball inlet. Matrix addition is accomplished off-chip on the surface of the ball inlet. The coupler utilizes the ball as the cathode transfer electrode to transport sample deposit into the vacuum. The TOF mass spectrometer has 1 m linear flight tube, inlet interface consisting of a 0.75ʺ diameter stainless steel ball, a gasket sandwiched between the ball and the flange. A 0.25ʺ shaft attached to the ball on one end and a motor on the other facilitates sample transport on the ball past the polymer gasket into the vacuum for desorption with 355 nm Nd: YAG laser. The ball is cleaned online after every rotation. The interface has great promise to couple microchip electrophoresis for the separation of peptides and protein digests with subsequent online MALDI MS detection.

Monday, PM

Cordova 3 3:30-3:45 ʺCarboxylate Functionalized Polythiophenes: as Biogenic Diamine Sensorsʺ Toby L. Nelson, Caroline O’Sullivan, John J. Lavigne* University of South Carolina Department of Chemistry and Biochemistry, Columbia, SC 29208

Abstract Progress towards the generation of a conjugated polymer-based sensor array for the differential detection and quantification of biogenic diamines is presented. Initial efforts have focused on carboxylated poly(thiophene)s, in particular poly(3-propionic acid thiophene). The properties of the polythiophenes are known to be sensitive to interactions at the side-chain functionality as well as how the polymer main-chains are oriented with respect to one another. The diamines interact with the carboxylated side-chains and can cross-link polymer chains via electrostatic and/or hydrogen-bonding interactions. These structural contacts are the forces that dictate the optical properties in these assemblies. The biogenic amines of interest are those generated from the spoilage of foods. Poly(3-propionic acid thiophene) has been used to signal the presence of different biogenic amines, with a different chromic response for each amine. Pattern recognition motifs are then employed to sort and simplify the data. Classification accuracies greater than 90% have been achieved as well as concentration information. Several new poly(thiophene)s with carboxylate handles are being created to add to the utility of this design. Varying the distance between the carboxylic acid and polymer backone, the density of carboxylates on each polymer chain, and the incorporation of other recognition motifs are approaches being investigated.

94


TECHNICAL ABSTRACTS Monday, PM Cordova 3 3:45-4:00 ʺPreparation And Investigation Of Polymeric Photovoltaic Cellsʺ Kizzy Winston*, Carl E Bonner Jr., Sam-Shajing Sun, and Cheng Zhang Norfolk State University, Center for Materials Research, Norfolk, VA., 23504 Abstract Recent measurements of the photocurrent and mobility of conjugated polymer-based photovoltaic cells has been performed. Two types of PV cells were prepared and compared, one with the active layer containing electron donating and electron withdrawing derivatized PPV polymers blended together and one with the active layer composed of these covalently bonded PPV block co-polymers in a arrangement DBAB. The DBAB block has been shown to increase the exciton dissociation rate, and an increase in the mobility, photocurrent, and efficiency in these polymer-based photovoltaics in comparison with the devices constructed with the acceptor/donor blend.

Monday, PM Cordova 3 4:00-4:15 ʺSynthesis Of Water-Soluble N-Acyl Derivatives For Characterization As Bactericidal Agents,ʺ Lakia M. Champagne*, William H. Daly Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803 Abstract Currently, natural polysaccharides are being utilized increasingly in the markets because they exhibit versatility, biodegradability, biocompatibility, and are found abundant in nature. The diversity of natural polysaccharides provides the chemist with a broad spectrum of raw materials that can be used in many different applications. Chitosan is a polysaccharide that displays excellent versatility and is recognized for it’s bactericidal properties, in that it is destructive towards the bacterium Escherichia coli and Staphylococcus aureaus. Innovative procedures to modify chitosan are proposed to optimize the polymer’s bactericidal properties. Optimization is achieved by substituting the backbone of chitosan with distinctive anhydrides, lactones, and acyl halides, and by introducing an epoxide derivative of Quat-188 (N-3-chloro-2hydroxyl propyl trimethyl ammonium chloride), to the polymer to render it water-soluble over an entire range of pH’s and enhance it’s bactericidal properties. Substituting the backbone of chitosan proceeds through a nucleophilic bimolecular substitution (SN2) mechanism. The products of the reaction are classified as N-acyl derivatives. The anti-bacterial activity of these water-soluble N-acyl derivatives was studied using the Minimum Inhibitory Concentration (MIC) Test. This test indicates the minimum concentration necessary to inhibit the growth of a population of microorganisms. When MIC values obtained are lower than or equal to 32ug/mL, materials are classified as good inhibitory growth agents. Results obtained for some of these chitosanlactone derivatives include MIC values as low as 16ug/mL. Therefore, these materials are promising as antibacterial agents for rendering Home-Care, Personal-Care, and other Surface-Care products more effective.

95


TECHNICAL ABSTRACTS Monday, PM Cordova 3 4:15-4:30 "Polyurethane with Soft Segments Made from Replenishable Sources" George H. Armstrong*, Scharri J Ezell and Cedric L. Purnell Tougaloo College, Chemistry Department, Tougaloo, MS 39260 Abstract Polyurethanes were synthesized based on 4,4-diisocyanato-diphenylmethane (MDI), butanediol and soft segments made from oleic acid dimers. Oleic acid dimers were made from replenishable resources such fatty acids and plant fats (for example soybean oil). Polyurethanes were optimized to get high modulus low, Tg and good toughness. Tg and modulus were determined using a dynamic mechanical analyzer (DMA). Water absorption studies showed that the soft segment reduced the absorption of water into these polymers.

Monday, PM

Cordova 3 4:30-4:45 ʺSwelling Kinetics of Biocompatible HPMA Hydrogelsʺ Tedric D. Campbell and Oliver Steinbock*

Florida State University, Department of Chemistry and Biochemistry, Tallahassee, FL 32306 Abstract The synthesis of biocompatible hydrogels is described. Under an electric field, the N- (2-hydroxypropyl) methacrylamide (HPMA) hydrogels are produced using 6%T, 13%C, and 5 mM immobiline pK 3.6, 5.0, and 7.0. Atomic force and scanning electron micrographs give insight to the effect of different concentrations of immobliline, polyethylene glycol and electric field strength with regard to the morphology of the hydrogel. Moreover, we present swelling kinetics of these materials based on their response to external stimuli.

Tuesday, AM Session Chair

Tuesday, AM

Polymer Chemistry II Cordova 3 9:00 - 10:20 Dr. Malika Jeffries-El, Chemistry Department, CarnegieMellon University, Pittsburgh, PA Presenters Cordova 3 9:00-9:15 ʺEffects Of Temperature And Salinity On Films Prepared From Polyurethane Dispersionsʺ Felicia C. Thadison*, Douglas A. Wicks

The University of Southern Mississippi, School of Polymers and High Performance Materials Hattiesburg, MS 39406. Abstract Hydrolytic stability of polyurethane dispersions is important for many applications. The vast majority of 96


TECHNICAL ABSTRACTS studies on hydrolytic stability focus on the retention of properties in humid environments as a performance measure for film integrity or corrosion resistance and do not address the presence of dissolved minerals and salts that would be found in a disposal environment such as the ocean or estuaries. Initial studies of the biodegradability of polyester polyurethanes are detailed. As a key measure of biodegradability weevaluated the hydrolysis and property degradation of polyurethane films prepared from waterborne dispersions in salt water.

Tuesday, AM Cordova 3 9:15-9:30 ĘşHyperbranched Fluoropolymer (HBFP), Poly (Pentafluorostyrene) (PPFS), And Linear Fluorinated Poly (Benzyl Ether)S: A Comparison Study Of Compositionally-Equivalent And Non-Equivalent Isomers For Elucidation Of The Roles Of Topology And Composition Kenya T. Powell, Chakravarthy S. Gudipati, Jeremiah A. Johnson, Gerald O. Brown, and Karen L. Wooley* Washington University, Center for Materials Innovation and Department of Chemistry Saint Louis, MO 63130 Abstract The dependence of the unique solution and surface properties of a hyperbranched fluoropolymer (HBFP) and copolymer networks of HBFP and poly(ethylene glycol) (PEG) on variations of macromolecular architecture and composition were evaluated by comparing these systems with those involving compositionally equivalent linear fluorinated poly(benzyl ether)s (LFPB) and non-equivalent poly(2,3,4,5,6pentafluorostyrene) (PPFS). HBFP and LFPB were prepared by one-pot condensation polymerizations of their respective monomeric precursors, whereas PPFS was synthesized via atom transfer radical polymerization of 2,3,4,5,6-pentafluorostyrene. The compositions and molecular weights of each polymer were characterized by 1H, 13C, 19F NMR spectroscopies. Molecular weights and molecular weight distributions were also determined by size exclusion chromatography (SEC). Thermal analysis was performed using differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). To further elucidate the effect of topology, 19F spin-echo diffusion ordered spectroscopy (DOSY) and solubility studies were performed on the HBFP and LFPB systems. By crosslinking the multi-functional, hydrophobic components (HBFP, LFPB, PPFS) with linear, di-functional, hydrophilic PEG, minimally-adhesive surfaces, containing nanoscopically-resolved morphological and topological domains, capable of limiting adhesion of marine organisms were prepared on 3-aminopropyltriethoxysilane functionalized glass microscope slides. The surface morphologies of the pure and amphiphilic films were analyzed by atomic force microscopy (AFM). The behavior of these surfaces towards adsorption of various proteins was evaluated by fluorescence microscopy. In this presentation, the syntheses of each of the materials will be described, results from the thorough characterization studies will be presented and the detailed differences in structures and properties will be highlighted.

97


TECHNICAL ABSTRACTS Tuesday, AM Cordova 3 9:30-9:45 ĘşSynthesis and Solution Folding Characterization of ortho-Phenylene Ethynylene OligomersĘş Ticora V. Jones and Gregory N. Tew* University of Massachusetts, Amherst, Department of Polymer Science & Engineering, Amherst, MA 01003 Abstract The study of foldamers, which mimic the folding patterns and behavior of biological molecules using abiotic backbones, has been of recent interest.1-3 In order to expand the possibilities for characterization and application, a wide variety of structural motifs are necessary. To this end, we have synthesized the first reported substituted orthoPhenylene Ethynylene (o-PE) oligomers.4 Phenylene Ethynylene (PE) oligomers represent an important class of scaffolding backbones due to their ease of synthesis and the ability to incorporate multiple functionalities as substituents. Additionally, the PE scaffold, in the meta or ortho configuration, can adopt extended or helical conformations as shown with an ortho series in Figure 1. Numerous compounds with meta derivatives have been designed and synthesized including some that form helices in the solid state5,6 and in solution.7-10 The o-PE scaffolds offered here represent a new class of molecules that have been shown, through computational studies,11 1D, and 2D NMR experiments, to adopt low energy helical conformations. By patterning these scaffolds with ether and ester moieties tagged with polar chains, we explore the folding of the o-PE scaffold through Fluorescence, 1D, and 2D NMR spectroscopy.

References (1) Gellman, S. H. Acc. Chem. Res. 1998, 31, 173-180. (2) Cubberley, M. S.; Iverson, B. L. Curr. Opin. Chem. Biol. 2001, 5, 650-653. (3) Hill, D. J.; Mio, M. J.; Prince, R. B.; Hughes, T. S.; Moore, J. S. Chem. Rev. 2001, 101, 3893-4011. (4) Jones, T. V.; Blatchly, R. A.; Tew, G. N. Org. Lett. 2003, 5, 3297-3299. (5) Mio, M. J.; Prince, R. B.; Moore, J. S.; Kuebel, C.; Martin, D. C. J. Am. Chem. Soc 2000, 122, 6134-6135. (6) Prest, P. J.; Prince, R. B.; Moore, J. S. J. Am. Chem. Soc 1999, 121, 5933-5939. (7) Prince, R. B.; Moore, J. S.; Brunsveld, L.; Meijer, E. W. Chem.-Eur. J. 2001, 7, 4150-4154. (8) Prince, R. B.; Brunsveld, L.; Meijer, E. W.; Moore, J. S. Angew. Chem., Int. Ed. 2000, 39, 228-230. (9) Yang, X. W.; Brown, A. L.; Furukawa, M.; Li, S. J.; Gardinier, W. E.; Bukowski, E. J.; Bright, F. V.; Zheng, C.; Zeng, X. C.; Gong, B. Chem. Commun. 2003, 56-57. (10) Yang, X. W.; Yuan, L. H.; Yamamoto, K.; Brown, A. L.; Feng, W.; Furukawa, M.; Zeng, X. C.; Gong, B. J. Am. Chem. Soc. 2004, 126, 3148-3162.

98


TECHNICAL ABSTRACTS (11) Blatchly, R. A.; Tew, G. N. J. Org. Chem. 2003, 68, 8780-8785.

Tuesday, AM

9:45-10:00

Cordova 3

ʺControlled Graft Copolymerization Of Guar Gum Utilizing Nitroxide Mediatorsʺ Veronica K. Holmes*, William H. Daly Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803 Abstract Guar is a naturally occurring polysaccharide; it is widely used in the oil and gas industry as a hydraulic fracturing fluid to improve production of oil and gas wells. A novel method of modifying guar gum is proposed to optimize its performance as a proppant and to control viscoelastic properties. This optimization is achieved by introducing hydrophobic attachment, a polystyrene and n-polybutylacrylate graft, to the polymer backbone of guar. The increased hydrophobicity should dramatically improve the fluid loss control and increase viscosities of the fluid. The graft copolymerization of the hydrophobic monomers onto guar gum is facilitated by ceric ammonium nitrate and various nitroxides. The nitroxide mediating groups behave as chain transfer agents in this system, which makes it suitable for controlling the molecular weight of the grafts. Grafting efficiency is dependent on initiator concentration. An average grafting efficiency of 89.7% was obtained.

Tuesday, AM Cordova 3 10:00-10:15 ʺSurface Structures And Properties Of Polystyrene/Poly (Methyl Methacrylate) Blends And Copolymersʺ William C. Johnson*, Jie Wang, and Zhan Chen University of Michigan, Department of Chemistry, Ann Arbor, MI 48103 Abstract Sum frequency generation (SFG) vibrational spectroscopy has been applied to study the molecular surface structures of polystyrene (PS)/poly (methyl methacrylate) (PMMA) blends and the copolymer between PS and PMMA (PS-co-PMMA) in air, supplemented by atomic force microscopy (AFM) and contact angle goniometer. Both the blend and the copolymer have equal weight amounts of the two components. SFG results show that both components, PS and PMMA, can segregate to the surface of the blend and the copolymer before annealing, although PMMA has a slightly higher surface tension. Upon annealing both SFG results and contact angle measurements indicate that the PS segregates to the surface of the PS/PMMA blend more but no change occurs on the PS-co-PMMA surface. AFM images show that the copolymer surface is flat but the 1:1 PS/PMMA blend has a rougher surface with island like domains present. The annealing effect on the blend surface morphology has also been investigated. We collected amide SFG signals from interfacial fibrinogen molecules at the copolymer or blend/protein solution interfaces as a function of time. Different time-dependent SFG signal changes have been observed, showing that different surfaces of the blend and the copolymer mediate fibrinogen adsorption behavior differently.

99


TECHNICAL ABSTRACTS Tuesday, AM Cordova 3 10:15-10:30 ʺEffect Of Stoichiometry On The Epoxy-Amine Polymerization Reaction Investigated With Dielectric Spectroscopy, Fluorescence Spectroscopy, Dsc And GPCʺ Janine Nunes*, Alvin P. Kennedy, Solomon Tadesse Department of Chemistry, Morgan State University, Baltimore, MD 21251 Abstract The isothermal polymerization reaction of diglycidyl ether of bisphenol A (DGEBA) and 4,4′diaminodiphenyl sulfone (DDS) was studied at five different reactant ratios, including the optimal mixing molar ratio of 2:1. Dynamic dielectric measurements were obtained and characteristic loss peaks resulted for each of the ratios for a range of frequencies from 0.1 kHz – 100 kHz. Fluorescence emission and excitation spectra were also obtained at various points during the reaction for the five ratios, and spectral red shifts were observed that are reportedly1 due to substituents on the amine functional group. Differential scanning calorimetry (DSC) was used to determine the glass transition temperature (Tg) at different times during the reaction as well as the extent of reaction. Also, gel permeation chromatography (GPC) provided information on the molecular weights and molecular weight distribution; the GPC results indicated the transient presence of distinct low molecular weight oligomers during the reaction. Tentative correlations have been suggested between the change in Tg and dielectric loss peaks, as well as between molecular weight distribution and dielectric loss peaks. These results support the proposal for a real-time cure monitoring technique that utilizes simultaneous dielectric and fluorescence spectroscopy techniques. This combined technique can be instrumental in the manufacture of nanocomposite structures, especially in the area of space exploration and colonization. Continued investigations include obtaining these simultaneous measurements, and exploring in greater detail the correlations mentioned. 1. Song, J.C., Sung, C.S.P. Macromolecules, 1993, 26, 4818-4824

Tuesday, AM

Modeling and Simulation Methods Cordova 2 9:00 - 10:20 Session Chair Dr. Jesse Edwards, Department of Chemistry, Florida A&M University Tallahassee, FL Tuesday, AM Cordova 2 9:00-9:12 ʺComputational Study Of Rhodopsin’s Photo Absorption Upon Site Directed Mutagenesis And Rhodopsin Counterion Switch Studyʺ Grace T. Kalisha, Devon M. M. Philip, Jose Gascon, Victor S. Batista* Yale University, Department of Chemistry, New Haven, CT 06520 Abstract Previous theoretical studies of the 11-cis/all-trans photo-isomerization reaction in rhodopsin have revealed that 50% of the photon energy absorbed by S0 Æ S1 vertical excitation of the retinal chromophore is stored in

100


TECHNICAL ABSTRACTS the form of electrostatic or strain energy due to conformational changes in the binding pocket. The stored energy is subsequently used to promote thermal reactions in the protein photo-bleaching sequence and in the subsequent transducin cycle. This project investigated the influence of specific amino acids in the rhodopsin photo-isomerization energetics. Quantum Mechanics/Molecular Mechanics (QM/MM) simulations of photo-absorption are reported in terms of S0 Æ S1 electronic excitation energies. Photo-absorption changes due to site directed mutagenesis are analyzed and computational methods of predicting these changes for mutants prior to experimentation are developed. In addition, a recently proposed counter ion switch mechanism is investigated. Proton translocation from Glu181 to Glu113, along a structurally stable hydrogen bond network, next to the retinyl-chromophore, is analyzed in terms of ground state energy calculations of intermediate protonation states. In particular, the feasibility of sequential and concerted proton translocation mechanisms is analyzed. The relative stabilities of various protonation states associated with the boundwater molecules and polar amino acids that constitute the hydrogen-bond network around the Schiff-base linkage are investigated for both rhodopsin and bathorhodopsin. Research is further proposed to build on the candidate previous work accomplished during the Science and Technology Research Scholars 2004 program. Using a computational model of Rhodopsin, it was found that rhodopsin photo-absorption is highly altered by mutating specific amino acids. It was found that mutations that involved adding or subtracting charge had the largest effect on the calculated absorption shift. There was a moderate agreement with experimental data. Further study will be directed at assessing the probable causes of the variations that did exist. The counter-ion switch study revealed that the reaction coordinate must include previous reorganization of the hydrogen bond network for proton translocation to occur. This is because energy calculations did not support the hypothesis that there is a H3O+ ion formed as an intermediate state. Other ways of reorganizing the hydrogen bond network for proton transfer to occur will be investigated.

Tuesday, AM Cordova 2 9:12-9:24 "A Theoretical Study To Predict The Optical Properties Of Rhodamine 6G" AlTrev C. Sykes, , Vladimir I. Gavrilenko, and Suely M. Black*1,2 Norfolk State University, 1Center for Materials Research, 2Department of Chemistry Norfolk, VA 23504 Abstract The widespread use of dyes in dye lasers, in various photosensitized reactions, as well as in nanocomposite materials has generated renewed interest in the excited state properties of Rhodamine 6G (Rh6G). Equilibrium atomic geometry, electron energy structure, and optical properties of Rh6G dye molecules have been studied by electronic structure methods. The solution provides the initial understanding to model the complex system formed by solvate Rh6G in the presence of silver metal nanoclusters. Calculations of the optimal geometry of Rh6G cation, C28H31N2O3H+, and model silver clusters were carried out using the Jaguar suite of programs. The structures were obtained using the density functional theory with the B3LYP exchange-correlation functional, 3-21G* basis set, and the dielectric continuum model for methanol solvent. The first excitation energies for the separate and combined systems were obtained using the 3-21G* and 6-31G* basis set. Gaussian 98 implementation of the ZINDO semiemperical model was applied to same structures, and optical transitions energies and intensities were obtained. The theoretically obtained excitation energies are compared to experimental values, and the discrepancies, discussed.

101


TECHNICAL ABSTRACTS Tuesday, AM Cordova 2 9:24-9:36 ʺStructural And Theoretical Study Of Berberine Hemisulfate By NMR And Computational Chemistry,ʺ Sharon Hurley*, Ming-Ju Huang, Ken S. Lee Jackson State University, Jackson, MS 39217 Abstract The structure of berberine hemisulfate was analyzed by NMR Spectroscopy. A series of spectra of 1D and 2D NMR including long-range coupling were taken for the analysis. Every carbon and hydrogen was assigned based on the spectra taken and their chemical shifts were compared with other report. The structure of berberine has been fully optimized by ab initio methods. The 1H and 13C NMR chemical shifts of berberine hemisulfate were calculated by means of GIAO and other methods. The results from theoretical calculations were compared with experimental data for chemical shifts. The structure of berberine in the solid state was compared with our theoretical molecular properties.

Tuesday, AM

Cordova 2 9:36-9:48 ʺMolecular Boxes As Storage Containers For H2ʺ Bryant P. Suitte*, Stephen D. Belair and Joseph S. Francisco

Purdue University, Department of Chemistry and Department of Earth and Atmospheric Science West Lafayette, IN 47906 Abstract All possible conformations of an H2 molecule inside the cubic water octamer (H2O)8 have been examined using ab initio molecular theory. Starting structures were based on the 14 geometries of the cubic water octamer. In all, optimizations were performed on 39 different (H2O)8•H2 structures in order to determine which conformers could contain H2 and which ones would release it. Of the 39 optimizations performed, 7 resulted in structures with the H2 contained within the molecular water box. Vibrational frequency analyses were used to determine that 5 of these 7 were minima of the (H2O)8•H2 potential energy surface. An analysis of these structures from the perspective of relative and order of stability, and hydrogen bonding was performed. From this analysis, we find a set of hydrogen bonding topologies that contribute to stabilizing and destabilization of H2 cage.

Tuesday, AM

9:48-10:00

Cordova 2

ʺDimethyl Ether Oxidation At Elevated Temperaturesʺ Claudette M. Rosado-Reyes*1, and Joseph S. Francisco1, Joseph J. Szente2, M. Matti Maricq2, and Lars Froesig Oestergaard2 1

Purdue University, Department of Chemistry and Department of Earth and Atmospheric Science West Lafayette, IN 47906 Research Laboratory, Ford Motor Company, Dearborn, MI 48121

2

102


TECHNICAL ABSTRACTS Abstract Dimethyl ether (DME) has been proposed for use as an alternative fuel or additive in diesel engines and as a potential fuel in solid oxide fuel cells. The oxidation chemistry of DME is a key element in understanding its role in these applications. The reaction between methoxymethyl radicals and O2 has been examined over the temperature range of 295-700K and at pressures of 20-200 Torr. This reaction has two product pathways. The first produces methoxymethyl peroxy radicals while the second produces OH radicals and formaldehyde molecules. Real time kinetic measurements are made by Transient Infrared Spectroscopy to monitor the yield of three main by-products, Formaldehyde, Methyl formate, and Formic Acid, to determine the branching ratio for the CH3OCH2 + O2 reaction pathways. The temperature and pressure dependence of this reaction will be described by Lindemann and Arrhenius analysis.

Tuesday, AM Cordova 2 10:00-10:12 ʺThe Ionization Potentials and Electron Affinities of the 3d-Block Transition Metals using Quantum Monte Carlo Methods,ʺ Ainsley A. Gibson, Gordon J. P. Taylor and John A.W. Harkless Howard University, Department of Chemistry, Washington, DC 20059 Abstract The determination of the electronic structure of metals, transition metals in particular, have proven to be difficult for many widely used computational techniques. In this study, the ionization potentials (IPʹs) and electron affinities (EAʹs) of the 3d-block transition metals obtained from variational Monte Carlo (VMC) and fixed-node diffusion Monte Carlo (DMC) methods are presented. The accuracy and efficiency of the Monte Carlo simulation is dependent upon the nodes of the orbitals of the many-body wavefunction. In this study, orbitals from different wavefunctions are used: restricted Hartree-Fock, configuration interaction natural orbitals, multi-reference natural orbitals, and multi-reference wavefunctions. The Monte Carlo values are compared with the IPʹs and EAʹs obtained from Hartree-Fock (HF), post HF, Density Functional Theory (DFT), and experimental data.

Tuesday, AM Cordova 2 10:12-10:24 ʺTheoretical Investigation Of Band Gaps Of Alkyloxy Derivatized Polyphenylenevinylene (PPV) For Organic Photovoltaic Applications,ʺ Anuoluwa Bamgbelu and Suely M. Black*1,2 Norfolk State University, 1Center for Materials Research, 2Department of Chemistry Norfolk, VA 23504 Abstract Geometries and band gaps of Poly-[phenylvinylene] (PPV) oligomers up to trimer have been systematically calculated and analyzed using both semiempirical and ab-initio methods. On the basis of the fully optimized geometries of neutral forms of PPV oligomers, excitation energies are calculated at the semiempirical ZINDO level and extrapolated to the band gap value of the infinite chain. Band gaps are also approximated by extrapolating the HOMO/LUMO difference calculated at the density functional level (B3LYP/3-21G*, B3LYP/6-31G*). The ZINDO//B3LYP/6-31G* band gap (2.7eV) is in good agreement with experimental value 103


TECHNICAL ABSTRACTS (2.5eV). The DFT B3LYP/6-31G* band gap (2.1eV) from an extrapolation of the monomer, dimer and trimer is also in good agreement with experimental value (2.5eV).The influence of solvation, substituent, optimization approach and the theoretical method on the band gap are also discussed.

Tuesday, AM

Modeling and Simulation Methods 10:30 - 11:50

Cordova 2

Session Chair

Dr. John Harkless, Howard University, Department of Chemistry, Washington, DC Presenters Tuesday, AM 10:30-10:45 Cordova 2 ĘşComputational Fluid Dynamics Simulation of Pulsatile Blood Flow Through Left Coronary ArteryĘş Sahid Smith1, Shawn Austin1 and G. Dale Wesson*1,2 Florida A&M University, 1 Department of Chemical Engineering and Biomedical Engineering, 2 Biological and Agricultural Systems Engineering Program, Tallahassee, FL 32307 ABSTRACT The onset of coronary heart disease may be governed by distribution and magnitude of hemodynamic shear stress in the coronary arteries. This study numerically examines pulsatile blood flow through the left coronary artery system. A triphasic waveform similar to the waveform presented by He and Ku (1996) is employed to simulate pulsating flow. Five non-Newtonian models, as well as the usual Newtonian model, are used to describe the viscous shear-thinning behavior of blood. It was found that the blood viscosity model selected greatly affects the and magnitude of the wall shear stress (WSS) and velocity profile prediction. The most realistic prediction was found to be that of the Generalized Power Law model put forth by Ballyk et al. (1994). This model agreed best with the apparent viscosity vs. sheer rate profile for data presented by Chien (1966). The Newtonian viscosity model performed poorly. Conversely, wall stress displayed little affect by the blood viscosity model selection. It is concluded that when using computational fluid dynamics (CFD) to numerically investigate blood velocity profiles within small arteries, such the coronary artery system examined in this work, great care should be taken in choosing a blood viscosity model. It is suggested hat the Generalized Power Law model be the viscous shear thinning model of choice. When using CFD to investigate only patterns of WSS, the model selection is not as crucial and the simple Newtonian model will suffice but when the magnitude of WSS is of great importance, as in the case of the determining the development of coronary artery disease, the model selection is key. This work was funded by the NIH/MBRS program through Florida A&M University.

104


TECHNICAL ABSTRACTS Tuesday, AM 10:45-11:00 Cordova 2 ʺQSAR of The Anticonvulsant Enaminones; Molecular Modeling Aspects and Other Assessmentsʺ Tiffany L. Wilson1, Patrice L. Jackson1 Clive D. Hanson1 Z. Xue2, Natalie D. Eddington3, and Kenneth R. Scott*1 Howard University, School of Pharmacy, 1Department of Pharmaceutical Sciences, 2Center of Minority Health Services Research, Washington, DC 20059 3University ofMaryland, School of Pharmacy, Pharmacokinetics- Biopharmaceutics Laboratory, Department of Pharmaceutical Sciences, Baltimore, MD 21202 Abstract Epilepsy is currently the most prevalent neurological disorder worldwide. Many patients with epilepsy fail to experience adequate control of their seizures, despite the optimal use of available antiepileptic agents.Other patients do so only at the expense of significant toxic side effects. There is thus a need for new drugs with a greater benefit as related to side effects and tolerability, even at the expense of efficacy, when compared to the existing antiepileptic agents. The enaminones represent potentially useful agents for the clinical treatment in generalized tonic-clonic seizures (Epilepsia, 1993,34(6), 1141-1145, Biopharm. Drug Disp. 2003,397-407). In this current study, we have reported the synthesis and anti-epileptic activities of several enaminones. A regression analysis was performed to provide a quantitative structure-activity relationship (QSAR) correlation model for prediction of activity for the anticonvulsant enaminones. Molecular modeling was performed to determine the molecular confluence of the Unverferth model (J. Med. Chem. 1998,41,63-73) to the enaminones. Our study indicates that this series of enaminones fit the Unverferth model. These data suggest sodium channel blockage as a mechanism of action and therefore the potential of enaminones as new anti-epileptic agents.

Tuesday, AM

Cordova 2 11:00-11:15 ʺSolvation Studies of Anti-tumor Prodrugsʺ Michael A. Cato*, 1Jesse Edwards, 2Henry J. Lee, 2Zhengqing You

1

Florida A&M University, 1Department of Chemistry/ AHPCRC, College of Pharmacy and Pharmaceutical Sciences, Tallahassee, FL, USA 32307

2

Abstract Newly synthesized prodrugs aimed at delivering a derivative of a naturally occurring anit-breast cancer agent, indole-3-carbinoic acid, been developed by Dr. J. Copperwood et al. Following the prodrug scheme, the intact compound will deliver the lethal acid portion after undergoing a metabolic reaction. In order to proceed with this mechanism the drug must first be made available to the active site by passing through the membrane of the host cell. The lipophilicity of the acid is increased by forming an ester linkage with various alkyl groups at the hydroxyl position of the acid (methyl, ethyl, n-propyl, isopropyl, and t-butyl). Therefore, structure of the intact drug becomes crucial. Molecular mechanics conformational searches were conducted using the Tripos forcefield. This work will examine the lowest energy conformation at various dielectric constants. The change (from 0 to 10) in dielectric constant will mimic the solvation on the flexibility of the compounds will be discussed.

105


TECHNICAL ABSTRACTS Tuesday, AM Cordova 2 11:15-11:30 ʺActive-Site Inhibitor Modeling Using A Customized Hiv-Protease Peptide,ʺ Deborah J. Bryan* (I), John West (I), Jesse Edwards (I), Ben M. Dunn (II) (I) Florida A&M University , Department of Chemistry/AHPCRC, Tallahassee, FL II. University of Florida, Department of Molecular Biology and Biochemistry, Gainesville, FL Abstract In an effort to develop unique HIV protease inhibitors Dunn et. al. have synthesized a series of customized peptide inhibitors potentially capable of adapting to mutations in the HIV protease through the introduction of flexibility and bulky side chain groups. Flexibility was introduced to the candidate inhibitor, XI5, through the reduction of the carbonyl group at the core of the peptide. To determine the presence and degree of flexibility molecular dynamic simulations of both XI5 and a non-reduced version of the peptide, XI5co2, were carried out in vacuum and in water at 300K for 400 ps to 1 ns for NVT and NPT ensembles. A reduction of the carbonyl group in the middle of the XI5 peptide chain was found to have introduced flexibility as evidenced by the fluctuation of the Omega torsion angle of residue four (Omega four) in both the vacuum and water-solvated system. In the vacuum system, the Omega four angle of XI5 exhibited a wide fluctuation centering around –140 degrees, while the normal amide bond angles exhibited an average torsion of 180 degrees. In the water-solvated system, Omega four had two distinct angles present throughout the simulation, either +140 degrees or –140 degrees, while the Omega four angle of the nonreduced XI5co2 exhibited the 180 degree torsion expected of a normal amide bond. The Phi-Psi plot of XI5 revealed little fluctuation along the main chain in the vacuum system; however, greater fluctuation existed in the water system. The Chi plots of XI5 in the water system indicated that the transition of the smaller, Ethyl, side chain was both more abrupt and frequent when compared to that of the larger, Methylnaphthalene, side chain. The end-to-end distance fluctuated in a similar range for both peptides. The most notable difference in flexibility between the two peptides was observed in the Omega angle of residue four.

Tuesday, AM 11:30-11:45 Cordova 2 ʺIdentification And Investigation Of Small Molecules That Bind Stem Loop 3 Of The Ψ-Rna Recognition Element Of HIV-1 Virusʺ Douglas M. Warui and Anne M. Baranger* Wesleyan University, Department of Chemistry, Middletown, CT, 06459. Abstract The Ψ-RNA packaging region of HIV-1 virus plays a critical role in the reverse transcription process that is required for viral replication. The Ψ-site has ~120 nucleotides and is comprised of four stem-loops called stem loop 1-4, that are highly conserved among retroviruses. Of the four stem loops, stem loops 2-4 have apical tetra-loops and are important in the viral replication process through their interactions with nucleocapsid (NC) protein. Among the four stem loops, stem loop 3 has been identified as the principal determinant for viral packaging and for specificity. Studies of HIV-1 RNA with stem loop 3 deleted have shown that packaging is reduced to 10% the efficiency of the wild type.

106


TECHNICAL ABSTRACTS We have targeted stem loop 3 for studies that will lead to the discovery of ligands with the potential to inhibit Ψ-RNA – NC protein interactions that are critical to viral replication. We have employed computeraided drug discovery methodologies to identify 40 potential inhibitors with estimated inhibition constants in the nanomolar to femtomolar range. This set of potential inhibitors has been derived from NCI diversity set of 1990 compounds. We used the MOE software program to prefilter the library and retain drug-like molecules with molecular weights less than 500, log P values less than or equal to 4, formal charges greater than or equal to 0, and 10 or fewer rotatable bonds. The prefiltered library was first docked to three different sites on SL3 RNA using the program DOCK, which estimates van der Waals and electrostatic interactions. The best 100-scoring ligands were then docked using the more stringent AutoDock program, which estimates van der Waals, electrostatic, hydrogen bonding, ligand torsion, and desolvation interactions. We have selected the best 40-scoring molecules from the AutoDock results and will investigate experimentally their binding affinities and selectivities.

Tuesday, AM 11:45-12:00 Cordova 2 ʺDensity Functional Study of the Structural Properties of Ascorbic Acid (Vitamin C)ʺ R.N. Allen*, M.K. Shukla, Demarcio Reed and Jerzy Leszczynski Jackson State University, Computational Center for Molecular Structure and Interactions, Department of Chemistry, Jackson, 39217 MS, USA Abstract The radical electronic structure is of great interest since herein lies the inherit information relevant to the protective capacity of the ascorbic acid (AA). The geometries of the neutral tautomeric and anionic species of AA were optimized at the Density Functional Theory level using the B3LYP method. The radical species were evaluated using the unrestricted B3LYP method. Single point energy calculations were also performed using the MP2 and UMP2 method for all species. All calculations utilized the 6-311++G(d,p) basis set. Nature of stationary points on the potential energy surfaces (PESs) were ascertained by harmonic vibrational frequency analysis; all structures were found minima. The Tomasi’s polarized continuum model was used to examine the effects of aqueous solvation on the relative stability of interested species. The species obtained by the deprotonation of the O3 site is the most stable monoanion of AA in gas and aqueous medium. For the radical species, it appears that the dehydrogenation of the O3 and the deprotonation of the O2 is the most stable in gas phase and aqueous medium which is conclusive with the spin density population which lies between the O2 and O3 sites. The electronic charge distribution, molecular electrostatic potential, ionization potential and electron affinity are reported.

Tuesday, AM

Atmospheric Chemistry II Cordova 3 10:30 - 11:50 Session Chair Dr. Joseph Francisco, Purdue University, Department of Chemistry, West Lafayette, IN Presenters Tuesday, AM Cordova 3 10:30-11:00 ʺStudies Of The Uptake Of An Organic Compound Onto Atmospheric Aerosolsʺ Kyana D. Stewart and Jean M. Andino*, University of Florida Department of Environmental Engineering Sciences, Gainesville, FL 32611 107


TECHNICAL ABSTRACTS Abstract Understanding the heterogeneous (gas-particle) interactions that occur in the troposphere is of seminal importance for modelers that assess the atmospheric fates and transport of gases. One means of understanding these interactions is to determine the mass uptake coefficients of a gaseous species onto common anthropogenic aerosols. The effective uptake behavior of gaseous Ethyl –3-Ethoxy Propionate (E3EP) onto fine mode aerosols of varied composition was studied using a custom manufactured flow system. E3EP is an organic species that is commonly found in paint and paint products, and is a species that is of interest to the Air Force (the agency funding this work). Aerosol size distribution analyses and gas-phase concentrations were determined using a Scanning Mobility Particle Sizer and a gas chromatograph (with either a flame ionization or mass spectral detector), respectively. These studies show that aerosol composition as well as concentration are important factors when considering the uptake behavior of E3EP onto aerosol particles. The results that have been obtained serve to further elucidate the atmospheric loss mechanisms of E3EP, and will be discussed in relation to the major homogeneous gas-phase loss mechanism for E3EP (i.e. reaction with the hydroxyl radical).

Tuesday, AM Cordova 3 11:00-11:15 ʺOzone And Co Observations During The NCAS Trans-Atlantic Saharan Dust Aerosol And Ocean Science Expeditionʺ Michelle D. Strachan* and Vernon R. Morris1, Howard University, Program in Atmospheric Sciences, 1Department of Chemistry, Washington, DC 20059 Abstract The NOAA Center for Atmospheric Sciences (NCAS) conducted a combined atmospheric and oceanographic experiment aboard the NOAA Ronald H. Brown ship to characterize the physico-chemical evolution of the Saharan Aerosol Layer during its long-range transport into the eastern seaboard of the United States and the Caribbean and to quantify its effects on the regional environment and climate. The NCAS Trans-Atlantic Aerosol and Oceanographic Science Expedition (AEROSE-04) departed on its 27-day voyage February 29, 2004 from Bridgetown, Barbados and concluded in San Juan, Puerto Rico on March 26, 2004. During AEROSE-04, CO and O3 concentrations were measured to study the effects of Saharan dust on the chemistry of the atmospheric environment. Tropospheric O3 and CO were measured in-situ and on a continual basis during several dust storms that occurred during the month of March. This presentation will provide an overview of the O3 and CO measurements and introduce some preliminary analysis of these datasets.

Tuesday, AM Cordova 3 11:15-11:45 ʺInteraction Between Atmospheric Radicals and Cloud Droplets: A Molecular Picture of the Interfaceʺ J. S. Francisco, Q. Shi, S. D. Belair, S. Kais Department of Chemistry, Purdue University, West Lafayette, IN 47907

108


TECHNICAL ABSTRACTS Abstract How gas phase materials become incorporated with cloud droplets has been an intriguing subject for decades, and considerable work has been done to understand the interactions between closed shell molecules and liquid water. Currently, atmospheric chemists are developing an understanding of the importance of radical chemistry in the atmosphere, and an understanding of the interactions between openshelled radical species and liquid phase cloud droplets is now necessary for this field. To probe these interactions, we have used quantum chemistry optimizations to predict the energetics of the hydroperoxy radical in the presence of a spherical water cage. Optimizations were initialized by placing the radical both on the inside and outside of the cage. Our calculations show that it is energetically favorable for the radical to bind to the outside of the cage. The fact that the energy difference between the internal and external configurations is small, however, suggests that there may be a partitioning of radicals between the two states. This may have important ramifications for our understanding of radical chemistry and may lend new insight into the role that clouds and aerosols play in atmospheric chemical processes.

Wednesday, PM

Moderator

NOBCChE - Rohm and Haas Cordova 2 Undergraduate Research Competition 2:00 – 4:00 Mr. Vere O. Archibald, Rohm and Haas Company

ʺCharacterization and Kinetic Study of the Molybdenum Trioxide (MoO3) Species Using FT-IR and FT-NMR Spectroscopy,ʺ Olivia M. Penrose and Kenneth W. Hicks* Norfolk State University, Department of Chemistry, Norfolk, VA 23504 Abstract The overall motivation of the research group is to prepare a series of Mo(VI)-Ligand complexes to examine whether vacant sites on the [Mo(V)]2 species lead to increased activity with an oxidizing agent. The main objective of the research at had is to understand the mechanism of chemical reduction of the Mo(VI)-Ligand complexes. The ligands used are Nitrilotriacetic acid (NTA), 2,6-Pyridinedicarboxylic acid (PYDCA), and 4hydroxy-2,6-Pyridinedicarboxylic acid (CLDA). This investigation involved a speciation study and kinetic study using Fourier Transform Infrared (FT-IR) Spectrophotometer and a 60 MHz Nuclear Magnetic Resonance (FT-NMR) Spectrophotometer. The speciation study was performed using FT-IR to determine whether the MoO22+ or the MoO3 species is dominant in a Mo(VI)-Ligand solution. Using deuterium oxide (D2O) as solvent, a 0.05M Mo(VI)-Ligand solution in D2O was prepared obtaining FT-IR spectra at various increments. The results showed the MoO3-Ligand species to be dominant at a pH of above 6.0. A kinetic study using FT-IR spectroscopy involved deoxygenated 0.05M Mo(VI)-Ligand solutions using D2O as the solvent. The deoxygenated Mo(VI)-Ligand solution was reduced using sodium dithionite (Na2S2O4) and FTIR spectra were obtained at various time intervals. The disappearance of MoO3 is a first order reaction of MoO3-Ligand as shown by the following equation: Rate=k[MoO3]m [S2O42-]n where m = 1. The results showed that the MoO3-Ligand complex disappears when dithionite is added to the Mo(VI)-Ligand solution and Mo(VI)-CLDA reacts faster than Mo(VI)-PYDCA and Mo(VI)-NTA: Mo(VI)CLDA kobs = 0.0854 min-1, Mo(VI)-PYDCA kobs = 0.0723 min-1, and Mo(VI)-NTA kobs = 0.0216 min-1. The purpose of the experiment using FT-NMR was to determine if the acetate arm of the NTA ligand is bound or

109


TECHNICAL ABSTRACTS unbound to the Mo(VI) species. A deoxygenated 0.025M Mo(VI)-NTA solution in D2O with pH adjusted to 6.2 was quenched to 0 C. FT-NMR spectra were obtained prior to and after the addition of dithionite. Due to excess background noise in the NMR spectra, adequate interpretation of the results were obscured.

ʺControlled Delivery of CNTF Using Biodegradable Polymeric Nanospheresʺ Michael Nkansah, Sara Royce, and Erin Lavik* Yale University, Department of Biomedical Engineering, New Haven, CT 06520 ABSTRACT Ciliary Neurotrophic Factor (CNTF) has been shown to promote oligodendrocyte maturation and neural axon remyelination in spinal cord tissue (Whittemore et al. 1999). Recent research speculations have strongly suggested the possibility of its therapeutic significance in the treatment of neurodegenerative disorders like amyotrophic lateral sclerosis (ALS) and Huntington’s disease (ALS-CNTF-Treatment Study Group 1996, Bachoud-Levi et al. 2000, Kordower et al. 1999). The challenge certain to beset any such future exploitation of its therapeutic value, however, will undoubtedly lie in the development and use of a controlled delivery system—one capable of sustained, target-specific protein release. To this end, the possibility of using biodegradable PLGA (poly-lactic-coglycolic acid) nanospheres in rhCNTF (recombinant human CNTF) delivery was explored extensively. Compared with earlier techniques like double and single emulsion, spontaneous emulsification (SE) was found to greatly enhance the homogeneity of drug distribution within the polymer matrix and hence strongly improve the predictability of drug release. Better particle size uniformity was achieved by doubling the cosolvent-organic solvent ratio. In vitro study showed improved protein loading and a largely diminished burst in nanospheres made using the SE technique.

ʺSelf-Assembled Nanotubes of Cyclic Ureas and Their Host/Guest Properties,ʺ Stevan Samuel University of South Carolina, Department of Chemistry and Biochemistry, Columbia, SC and Benedict College, Department of Chemistry, School of Biological and Physical Sciences Columbia, SC 29204 Abstract This report focuses on the synthesis and study of bis-urea macrocylces with the ability to form supramolecular structures which self-assemble into nanotubular columns. These structures contain channel shaped cavities which demonstrate the ability to host guest molecules within the nanotubular structures. These guest molecules can be removed from the channel shaped cavity, within the nanotubular structure, leaving the entire macrocyclic framework intact.

110


TECHNICAL ABSTRACTS macrocyclic monomer self-assembly

cylindrical assembly

n

ʺThe Essential Ingredients For A Potential Cancer Busterʺ Philip O. Ecka, Abby Marandab, Anja C. Gemperlib, Alanna Schepartz*b a

Department of Chemistry & Biochemistry, Oberlin College, Oberlin, OH 44074 bDepartment of Chemistry, Yale University, New Haven, CT 06520 Abstract

Chemical biologists have, in recent years, been faced with the challenge of creating molecules that bind with nanomolar affinity and high specificity to the myriad protein surfaces encoded by the human genome. The Schepartz laboratory focuses on the anti-apoptotic Bcl-2 (B-cell lymphocyte/leukemia-2) protein and its paralogue, Bcl-XL, both found in humans. Recently, our laboratory developed a strategy called protein grafting for the identification of small -miniature- proteins that bind protein surfaces with these properties. This approach was used to develop a miniature protein (PPBH3-1) that binds well to Bcl-XL, and has potential as a research tool and also, perhaps, a means of restoring apoptosis in cancer tissues with overexpressed Bcl-2. My project investigated the abilities of single-site alanine variants of PPBH3-1 to bind Bcl-XL, using fluorescence polarization analysis. Our results confirm the importance of specific residues for binding to the target Bcl-XL, shedding light on ways to improve the development of such ligand peptides for this very target and for other protein surfaces associated with interesting human conditions.

Thursday, AM

Engineering and Materials 9:00 - 11:00

Cordova 2

Session Chair

Dr. Adrian Minnerick, Department of Chemical Engineering, Mississippi State University , Mississippi State, MS Thursday, AM Cordova 2 9:00-9:15 ʺMagnetism And Electronic Structure Of Triplet Binuclear Niobium Complexes In Inorganic Glasses, Organic Ligand Environment And Polymersʺ Sabrina A. Arrington-Peet and Rakhim R. Rakhimov Norfolk State University, Center for Materials Research and Department of Chemistry Norfolk, Virginia 23504

111


TECHNICAL ABSTRACTS Abstract We investigated paramagnetic properties of binuclear niobium complexes Nb-O-Nb with two nonequivalent Nb4+ ions in lithium-niobium phosphate glasses (LNPG), in the environment of catechol/ortho-quinone ligands and in polyethylene. Experimental electron paramagnetic resonance spectrum analysis revealed nonequivalent distribution of the charge and electron spin density between two Nb atoms. Mechanochemical interaction of LNPG with an organic donor-acceptor mixture catechol/ortho-quinone followed by organic solvent extraction leads to the formation of a new binuclear complex with catechol/ortho-quinone ligands. This complex can be further incorporated into polyethylene matrix to form the complex with properties close to the complex in LNPG.

Thursday, AM Cordova 2 9:15-9:30 ʺNon-Brownian Particle Migration In Viscous Cellular Flowsʺ Adetola A. Abatan* and Joseph J. McCarthy University of Pittsburgh, Department of Chemical and Petroleum Engineering Pittsburgh PA 15261 Abstract We computationally examine a dilute suspension of non-Brownian particles in a cellular, low-Reynolds number viscous flow. We simulate particle migration across the curved fluid streamlines by incorporating single particle fluid interactions into a continuum-based Lagrangian advection model, based on the BassetBoussinesq-Oseen (BBO) equation. We observe comparable behavior for non-neutrally buoyant particles- i.e., an inward migration within the cell flow structure for particles both heavier and lighter than the continuous phase. This is in contrast to previous models, which may be due to the omission of gradient and wall-related lateral migration forces in the previous work. We also examine the force distribution on a single particle migrating in the multi-directional flow.

Thursday, AM Cordova 2 9:30-9:45 ʺContinuous-Time Dynamic Exogenous Modeling from Plant Dataʺ Derrick K. Rollins*1, 2, Nidhi Bhandari1, Steven W. Mohn3, Natalie M. Matos1, Swee-Teng Chin1, 2 Iowa State University, Department of Chemical Engineering, Ames, IA 50010 2 Iowa State University, Department of Statistics, Ames, IA 50010 33M Corporate Research Process Laboratory, St. Paul, MN 55144

1

Abstract Technological progress in on-line sampling and computer technology has contributed to the enormity of plant data bases. However, the characteristics of small signal to noise ratios, limited operational range, and multi-co linearity make it difficult to extract the necessary information from plant data bases to build dynamic models that provide strong physical understanding between inputs (i.e., exogenous variables) and outputs. Although empirical modeling methods such as multiple linear regression (MLR), principal component regression (PCR), projection to latent structures (PLS), and artificial neural networks (AAN), can “curve fit” the data well within the range of the data set, they provide limited understanding of physical exogenous relationships, are highly dependent on the correlation structure of the data set, and are extremely limited in extrapolation. Continuous-time block-oriented modeling can help to overcome empiricism limitations by providing dynamic forms with phenomenological understanding that depend on only a few 112


TECHNICAL ABSTRACTS model parameters that have physical understanding. This talk discusses the application of a recently developed method by Rollins, et al. (2003) for Hammerstein block-oriented modeling to plant data provided by the 3M Corporation. (The Hammerstein system consists of a nonlinear static block followed by a linear dynamic block.) The proprietary data set consists of thirteen inputs and one output. The data were collected after the process was allowed to stabilize at an equally spaced sampling rate of 1 hertz over a period of about 125 seconds. Thus, no deliberate changes were made to the inputs during this period. Nonetheless, the eleven noisy inputs have a wide range of characteristic variation over this period which makes this a very challenging exogenous modeling problem. To develop a continuous-time Hammerstein model for this process, it was necessary to obtain a closed-form solution for high order dynamic systems with rapid input changes. This work presents this solution and discusses its application for modeling building from plant data. Without the use of past or present outputs, this method was able to obtain a continuous-time Hammerstein exogenous model with a R2 above 0.9. The dynamic form was a second order over damped plus lead model.

Thursday, AM Cordova 2 9:45-10:00 ʺIn-Situ Ellipsometric Study of PEG/Cl Co-Adsorption on Cu, Ag and Auʺ M. L. Walker1, L. J. Richter1, and T. P. Moffat2 National Institiute of Standards and Technology, Chemical Science and Technology Laboratory1 Materials Science and Engineering Laboratory2, Gaithersburg, MD 20899 Abstract Spectroscopic ellipsometry was used to examine the adsorption of polyethylene glycol (PEG) and Cl- on polycrystalline Cu, Ag and Au electrodes in sulfuric acid. In halide-free sulfuric acid, PEG adsorption on Cu and Ag is minimal at potentials positive of the estimated potential of zero charge (pzc). PEG adsorption on Au was also negligible in halide-free environments positive of the pzc, but slight adsorption was evident near the pzc. In contrast, in the presence of adsorbed halide, PEG co-adsorption is clearly evident at potentials near or positive of the pzc for all metal samples studied. The implications of these observations are discussed with respect to the role of Cu+ ions in the PEG induced inhibition of Cu electrodeposition and the relevance of this research to the microelectronics industry.

Thursday, AM Cordova 2 10:00-10:15 ʺTransient And Dynamic Viscoelastic Behavior Of Polyproylene/ Layered Silicate Nanocompositesʺ Mohamed Abdalla, Moncy Jose, Keith Green, Derrick Dean*, and Graig Williams1 University of Alabama at Birmingham, Department of Materials Science and Engineering, Birmingham, AL 35294, 1Tuskegee University, Department of Mechanical Engineering and Center for Advanced Materials, Tuskegee, AL 36088 Abstract Polypropylene is a commodity polymer that has found a myriad of uses, ranging from dinnerware to automotive to household applications. Nanocomposites based on polypropylene dispersed with layered silicates offer a promising approach for enhancing the properties of this polymer. In this research, the linear 113


TECHNICAL ABSTRACTS viscoelastic behavior of a polypropylene and polypropylene nanocomposite has been examined to understand the effect of nanodispersed particles on the viscoelastic relaxation of these materials. Both dynamic (using dynamic mechanical analysis) and transient (creep) experiments have been conducted to study this behavior. The nanocomposites exhibit longer relaxation times and hence less creep than the pure polypropylene samples. This can be explained in terms of a confinement of segmental mobility by the nanoparticles. The creep rate for the nanocomposite sample would be expected to be less than that of the pure polypropylene. The effect of varying the crystallinity on these properties was also examined using DSC and XRD. Extruded samples show less degree of crystallinity compared to compression molded samples which in turn affect the relaxation time on both samples. Nanocomposite samples also have a lower degree of crystallinity compared to pure polypropylene. Flexural properties are being tested and will be presented.

Thursday, AM

Cordova 2 10: 15-10:30 ʺMonodisperse Metallic Nanoclustersʺ

Tywania Daniels, Dr. Adams*, Burjor Captain, Jack L. Smith, and Dr. Mbah University of South Carolina, Department of Chemistry and Biochemistry and the USC Nanocluster, Columbia, South Carolina 29208 Abstract Nanoclusters are used to create new compounds in chemical industries. Metallic nanoclusters have developed great challenges for chemists by controlling their size during synthesis. There are ligands that form coatings on the particles to the metal atoms that strongly influence the synthesis of the nanoclusters. Organic chemists have developed new compounds, which contain cavities. These cavities are called calixarenes and resorcinarenes, which are held together by hydrogen bonds. These compounds will encapsulate the nanoclusters. A variety of clusters such as ruthenium carbonyl cluster complexes have been used with metals platinum and palladium with tri-tert-butyl phosphine groups. The uses of these clusters were used given that they have been shown to be good precursors for bimetallic nanoparticles that serve as highly active and selective heterogeneous catalysts for hydrogenation reactions. Other clusters were platinum-rhodium carbonyl clusters, which was also used in the experiment with the selective metals platinum and palladium. Iron nitride was also used in the experiement to determine the possible catalytic hydrogenation or nitrogen with metal clusters. Calixarenes and resorcinarenes make good host for metal species with appropriate modifications it could lead to successful entrapment of neutral metal clusters and exhibit size selectivity.

Thursday, AM Cordova 2 10:30-10:45 ʺGrowth Of 3,4,9,10 Perylene Tetracarboxylic Dianhydride(PTCDA), And 1,4,5,8 Napthalene Tetracarboxylic Dianhydride(NTCDA) Thin Films Using Organic Molecular Beam Deposition(OMBD) Systemʺ Harold Cooper, Monique Haythe, and Kang Seo Norfolk State University, Center for Materials Research, Norfolk, Virginia 23504 Abstract We have investigated the fundamental growth behavior of 3, 4, 9, 10 perylene tetracarboxylic dianhydride(PTCDA), and 1, 4, 5, 8 napthalene tetracarboxylic dianhydride (NTCDA) under high vacuum. These organic materials were deposited on SiO2/Si(100) and Indium Tin Oxide (ITO) substrates. The ultra 114


TECHNICAL ABSTRACTS high vacuum organic molecular beam deposition (OMBD) system provided a slow growth rate to allow the organic materials to grow in very thin layers, keeping the system contamination free. This particular design of OMBD system allowed us to use spectroscopic ellipsometry (SE) for real time monitoring of the growth rate. The ellipsometric measurements gave us the thickness of each organic layer at deposit, along with the optical constants n and k values. Next these thin films were characterized by means of low incidence X-ray diffraction (XRD). The XRD technique gave the orientation of each deposited layer on the substrate. This OMBD system will allow the growth of organic thin films useful in the construction of photonics devices such as organic light emitting diodes (OLEDs), organic field-effect transistors (OFETs), and photovoltaic solar cells.

Thursday, AM Cordova 2 10:45-11:00 ĘşProgress Towards The Microwave Synthesis Of Heptamethine Cyanine DyeĘş Dr. Angela Winstead Morgan State University, Department of Chemistry, Baltimore, MD 21251

Abstract Current studies in the department have indicated that commercially available near-infrared heptamethine cyanine fluorescent laser dyes exhibit characteristics that satisfy the qualifications as an acceptor in a FRET system (Figure 4). Near-IR dyes posses strong spectral properties in the longer wavelength region with minimal background from biomolecules and high sensitivity.1 These dyes have been used as fluorescence dyes in DNA sequencing, laser tags, LC displays, and immunoassays.1 The dye of interest has been identified as heptamethine cyanine near-IR dye 1. Although, heptamethine cyanine dye 1 is commercially available, it is quite expensive at $35 per gram. This cost has significantly limited the ability to adequately investigate derivatives of 1.

H3CO

Me2 C

Cl2 +

N I+ CH2CH3 Quarternary Salt

Cl OH

O

N R

N R 1

Bisaldehyde

In an attempt to overcome this obstacle, the synthesis of dye 1 was undertaken. One of the components of interest is a quarternary salt, which is formed from a 5:1 ratio of iodoethane and 2,3,3-trimethylindolenine in 15 hours. This reaction was successfully transferred to the Explorer Microwave System in the absence of solvent at 130oC for 4 min with a 1:2 ratio with a 70% yield. Dye 1 was effectively synthesized in the conventional microwave with a reaction time of 90 sec using half the amount of solvent (80% yield). Investigation of novel pyridine based dyes is also currently under study.

115


TECHNICAL ABSTRACTS Thursday, AM Cordova 2 11:00-11:15 ʺSynthesis and Characterization of Magnesium (II) and Zinc (II) β-Ketoiminate Complexes for use as MOCVD Precursorsʺ Tantiboro S. Ouattara and Jason S. Matthews Howard University, Department of Chemistry, Washington DC 20059 Abstract ZnO and MgO thin films have been extensively studied due their potential applications in the microelectronics industry. Toward this end, a series of β-ketoimines have been synthesized via the direct combination of acetyl acetone with various primary amines in a 1:1 molar ratio. The isolated products were purified and characterized via GC/MS, 1H -NMR, 13C-NMR and FT-IR spectroscopy. The β-ketoimines were converted to their corresponding magnesium (II) and zinc (II) complexes. The complexes were characterized via 1H-NMR, 13C -NMR AND FT-IR spectroscopy and their structures determined by single crystal X-ray diffraction methods. The volatility and thermal stability of the zinc and magnesium compounds are currently being assessed in preparation for their use as precursors in the growth of MgO and ZnO thin films via chemical vapor deposition. In addition the compounds are being investigated as potential catalysts for the copolymerization of CO2 with epoxides.

Thursday, AM Session Chair

Thursday, AM

Pharmacological Chemistry 9:00 - 11:00

Cordova 3

Dr. Alan Anderson, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA

Cordova 3 9:00-9:15 ʺLiquid Crystals For Antibody Immobilization: A Novel Approch To Immunosensor Designʺ Dwight A. Williams and Suzanne Ruder*

Virginia Commonwealth University, Department of Chemistry, Richmond, VA 23284 Abstract There is an increasing need for fast, accurate, repeatable, and economical methods for the analysis of biohazards and environmental pollutants in air and water. In the past enzyme-linked immunosorbant assay (ELISA) has been used to detect such hazards. ELISA can provide high sensitivity and selectivity for the target pollutant however this method provides only an indirect means of detecting the antigen (Ag) of interest. ELISA is also limited to one time use of the Ab and long analysis times. Immunosensors have recently emerged as a means of obtaining the same information gained from ELISA but with shorter analysis times and in some cases direct detection of the Ab-Ag binding event. Previous studies with surface immobilized antibodies using Electrochemical Impedance Spectroscopy (EIS) have shown consistent changes 116


TECHNICAL ABSTRACTS in surface capacitance due to Ab-Ag complex formation. This change in surface capacitance can be directly related to the concentration of Ag in solution. In order to develop a reusable immunosensor a method for the disruption of the Ab-Ag complex is needed. Typically this is done by the addition of chaotropic agents such as methanol or sodium chloride. However, denaturing of the antibody occurs over time with these methods decreasing the antibodies activity. To increase the lifetime of the Ab for immunosensor use a method for disrupting the Ab-Ag binding complex without denaturing the Ab is needed. Previous studies have shown that by changing the potential at an electrode surface the disruption of Ab-Ag complex can be achieved over a 15 minute period. The research presented here includes the synthesis of directionally polarized liquid crystalline (LC) materials that would be capable of covalently binding antibodies (Ab) to gold surfaces. The utility of directionally polarized LC materials would be in their ability to increase the sensitivity of the electrochemical measurements and enhance the disruption of the Ab-Ag complex leading to a shorter surface regeneration time.

Thursday, AM Cordova 3 9:15-9:30 ʺSynthesis And Preliminary Biological Studies Of New Carboranyltetrabenzoporphyrins For Application In Boron Neutron Capture Therapy (BNCT)ʺ Owendi Ongayi*, Vijay Gottumukkala, Vicente M. H Graça Louisiana State University , Department of Chemistry, Baton rouge, LA 70803 Abstract Boron neutron capture therapy (BNCT) is a modality of cancer treatment that involves the irradiation of 10B rich tumors with low energy (thermal) neutrons, which results in the production of highly cytotoxic particles (4He2+ and 7Li3+) and the release of kinetic energy. These in situ cytotoxic particles display only limited distance of travel in tissue (5-9µm) resulting to the toxic effect being highly localized to boron containing tissue. BNCT is particularly attractive for the treatment of high grade gliomas and malignant brain tumors, which are usually highly infiltrative of normal brain and where selective destruction of tumor cells could dramatically increase the patient’s life quality and expectancy. The advantages of such localized therapeutic approach to other cancer treatments are obvious since undesirable side effects common to other types of treatments such as radiotherapy and chemotherapy can be minimized. Porphyrins appear to be particularly promising tumor selective compounds because of their demonstrated tendency to accumulate in neoplastic tissue. Amphiphilic tetra(nido-carboranyl) porphyrin have been shown to be readily taken up in tumor cell culture, delivering therapeutic amounts of 10B to cells. Here in we report the synthesis of a new carboranyltetrabenzoporphyrin and preliminary biological results i.e. cellular uptake, cytotoxicity and sub cellular localization using T98G human glioma cells and V79 fibroblasts cells.

Thursday, AM Cordova 3 9:30-9:45 ʺIrradiative Cleavage Of DMNPE-Cage Adenosine 5’ Triphosphate (ATP)ʺ Brandon C. Parker and Dr. Michelle Claville* Southern University A&M College, Chemistry Department, Baton Rouge, LA 70812 Abstract 1-(4, 5)-dimethoxy-2-nitrophenyl diazoethane (DMNPE)-caged ATP was successfully uncaged (Figure 1) using light sources of the following wavelengths: 320nm, 365nm, Greenspot (which consists of multiple wavelengths from 390-420 nm), UVC (254nm) and UVA (350 nm). 117


TECHNICAL ABSTRACTS

Figure 1: Photolytic cleavage of DMNPE-Caged ATP Uncaging was detected using bioluminescence. Quantitative bioluminescent determination of ATP was performed using a bioluminescent assay kit which works on the principle that ATP is consumed and light is emitted when firefly luciferase catalyzes the oxidation of D-luciferin (Scheme 1). Scheme1.

ATP + Luciferin Adenyl-luciferin + O2

Firefly luciferase

Mg 2+

Adenyl-luciferin + PPi Oxyluciferin + AMP + CO2 + light

(1) (2)

Reaction (1) is reversible with the equilibrium lying to the far right. Reaction (2) is irreversible. Light emitted is proportional to the ATP present, when ATP is the limiting reagent. A luminometer was used to quantify the amount of light emitted from the ATP-bioluminescent reaction. Results from the luminometer were compared to those obtained from a UV-Vis spectrophotometer.

Thursday, AM

Cordova 3 9:45-10:00 ʺOxidative Stress: A Molecular And Mechanistic Approachʺ

Desmond Y. Adamu*1, Douglas M. Willis3, Renard Thomas2 and Bobby Wilson3 Texas Southern University, 1Environmental Research Technology Transfer Center (ERT2C) 2Environmental Research Technology Transfer Center (ERT2C), 3Department of Chemistry Houston, TX, 77004 ABSTRACT Reactive Oxygen Species (ROS), when present in the living organisms, attack deoxyribonucleic acid (DNA), oxidizing it to lesion complexes. These oxidations occur at various sites on nucleic acids thus forming a number of lesion products. Some of these adduct such as 8-hydroxy-2ʹ-deoxyguanosine (8-OHdG) could be used as precursors to established biomarkers for oxidative stress (e.g. 8-hydroxyguanosine (8OHG)). Typical ROS attacks involve initiation, propagation and termination stages as integral steps to the degradation of nucleic acids. This is due to the fact that most ROS are radicals or reactive species formed when radicals are reduced. The various pathways that lead to the formation of these radicals are biologically favorable and will occur spontaneously in the presence of biological reducing agents. These substances are found in and around the cell nucleus which stores DNA and other nucleic acids thus facilitating DNA base pair oxidation. 118


TECHNICAL ABSTRACTS Thursday, AM Thursday, AM

10:00-10:15 - BREAK

Cordova 3

Cordova 3 10:15-10:30 ʺScreening Plants For Antioxidant Potentialʺ Dr. Lovell Agwaramgbo* & Tishina C. Okegbe

Dillard University, Department of Chemistry, New Orleans, La 70122 Abstract A body of research has identified some plants to have anti-oxidant potential. Studies have linked cardiovascular diseases to lipid peroxidation which increases cholesterols and low density lipoproteins (LDL). However, no study has examined the effect of temperature on the anti-oxidant ability of edible plants. Our long range goal is to study the effect of plants on cholesterol oxidation. The first phase of the project examined the ability of edible plants to inhibit oxidation of an oxidizable substrate. To Pureed plant materials of several edible plants were respectively added oxidizable substrate followed by the addition of oxidizing agent as shown below in covered vessels.

The second phase of the investigation, examined the effect of heating the plant material before use in the experiment described above. A control experiment had had water instead of plant material. Our reactions were carried out in the presence and absence of heated and unheated plant materials. The results suggest that reactions without plant materials produced more oxidative product & heated plant materials did not inhibit oxidation as much as unheated ones. Acknowledgement: Dillard University Honors and LAMP Program sponsored this research.

Thursday, AM Cordova 3 10:30-10:45 ʺReactivity Studies of o-Benzynes Toward Nucleic Acid Components Using The Distonic Ion Approach and FT-ICRʺ Karinna Campbell*, John J. Nash and Hilkka I. Kenttämaa Purdue University, Department of Chemistry, West Lafayette, IN 47907

119


TECHNICAL ABSTRACTS Abstract σ,σ-Biradicals have been discovered to be the biologically reactive intermediates of the enediyne antitumor drugs responsible for DNA cleavage in cancer cells. Understanding the parameters that control the reactivity of these biradicals is likely to lead to the synthesis of better nonhydrolytic DNA cleaving drugs. The magnitude of the singlet-triplet (S-T) gap of a biradical, which is defined as the energy difference between the lowest-energy singlet and triplet states, depends on the extent of the interaction between the radical orbitals. A large S-T gap is indicative of strong coupling between the radical centers. The orthobenzyne has a large S-T gap (-37.5 kcal/mol) and is best thought of as an activated alkyne rather than a biradical. This is evident in the reactivity observed for o-benzyne – nucleophilic or electrophlilic addition reactions (e.g. Diels-Alder reactions). Though the o-benzyne is the most widely studied of the three simplest aryne isomers, its reactivity toward DNA components has not been explored. We employ the distonic ion approach to study the intrinsic reactivity of biradicals by using mass spectrometry. We report here a kinetic reactivity study on three charged o-benzynes, 3,4-didehydroisoquinolinium, 5,6-didehydroisoquinolinium and 7,8-didehydroisoquinolinium ions, and comparison of the results to those obtained for other isomeric biradicals. Quinoline and isoquinoline biradical precursors were synthesized according to reported methods and their structures verified by mass spectrometry and nuclear magnetic resonance spectroscopy. The charged didehydroarenes were generated in a 3-T dual cell Finnigan Model FTMS 2001 Fourier-transform ion cyclotron resonance mass spectrometer by dissociation, ion molecule reactions and isolated. Their ionic reaction products and reaction efficiencies were determined for reactions with various DNA components. Exclusive hydrogen atom abstraction was observed for phenyl monoradicals. However, no such reactivity was observed for the 5,6-didehydroisoquinolinium ion. This o-benzyne was found to yield addition/elimination products when reacted with d-ribose.

Thursday, AM Cordova 3 10:45-11:00 ʺCharacterization Of Arsenic Species By Raman-Microspectroscopyʺ Charity N. Mosley*1, Jose A. Centeno2, and Todor Todorov2 Jackson State University, Department of Chemistry, Jackson, Mississippi, 39217 2Armed Forces Institute of Pathology, Division of Biophysical Toxicology Department of Environmental and Toxicologic Pathology, Washington, DC, 20306. 1

Abstract Arsenic is a metalloid element found ubiquitously in nature. Human beings can be exposed to arsenic from either natural (i.e. contaminated drinking water, air) or anthropogenic sources (i.e., herbicides, animal feeds). Although a known system toxicant with a high degree of carcinogenicity in humans, the biochemical and molecular mechanisms by which arsenic exerts its toxic action remain to be elucidated. Because the toxicity of arsenic is strongly dependent upon its chemical species (inorganic forms are more toxic than organic forms), it is necessary to develop a methodology to speciate and characterize its molecular properties. The aims of this investigation were to determine the structural characteristics of arsenicals with biological significance using Raman microspectroscopy and to create a library of these spectra. The arsenic species being studied are inorganic arsenic (IAs3+, IAs5+), organic (arsenobetaine (AsB) and arsenocholine(AsC)), and those species known as “metabolites” (monomethylarsonic acid (MMA5+) and dimethylarsinic acid (DMA5+). The Raman spectra of other arsenicals of biological interest were also studied, including trimethylarsine oxide (TMAO) tetramethylarsonium iodide, (TMA), monomethylarsenic oxide,

120


TECHNICAL ABSTRACTS (MMA3+) and dimethylarsenious iodide (DMA3+). The Raman spectra of inorganic arsenic compounds were within the 200cm-1-1000cm-1 region. In this region, the As―O bend, stretch, and deformation modes were observed. The Raman spectra of the methylated arsenicals were presented in the 200cm-1-800cm-1 region and correspond to the presence of the As―C bend and stretch, along with the As―O stretch. Other structural features within the spectra were the presence of the C―O stretch, the C―H stretch due to the methyl group, and the O―H stretch observed in the Raman spectra at 1230cm-1, 1400cm-1, and 3200cm-1, respectively. From the spectral library, molecular information will be available which may lead to an understanding of the compound, its structure-function relationship, and eventually its activity and health effects. Acknowledgements. This research was supported by the National Science Foundation’s Louis Stokes Mississippi Alliance for Minority Participation (LSMAMP) Bridge to the Doctorate Program (Grant # HRD0115807) at Jackson State University and the Armed Forces Institute of Pathology.

Thursday, PM

Chemical Engineering 3:30 - 5:00

Cordova 2

Session Chair

Dr. Isaac Gamwo, US Department of Energy, National Energy Technology Laboratory, Pittsburgh, PA Presenters Thursday, PM 3:00-3:20 Cordova 2 ʺCatalytic Wash Coating Procedures for The Autothermal Reforming (ATR), Water Gas Shift (WGS) and Preferential Oxidation (PrOx) Catalysts for Hydrocarbon Fuel Processorsʺ Erica E. Gaston, Andrew R. Tadd, Cory B. Phillips, Levi T. Thompson University of Michigan, Department of Chemical Engineering, Ann Arbor, MI 48109 Abstract The main objective of The University of Michigan (UM)-Department of Energy (DOE) On-Board Hydrogen Generation Project is to develop processes and reactors that produce, from hydrocarbons, a very high yield of hydrogen and in turn a very low yield of carbon monoxide. These compact reactors are comprised of engineered catalyst carriers, catalytic washcoats and micromachined metal housings. FeCrAly reticulated, metal alloy foams have served as the catalyst carrier of choice for the first generation of these devices. Previous experimental runs have proven that using different wash coating techniques to deposit catalyst materials onto these foams have shown a range of results when it comes to hydrogen yields. The goal of this work is to provide a systematic approach to catalytic wash coating procedure that allows for a moderately high uptake of loaded catalyst onto the foams (>200 g/L) while using a minimal amount of time (< 30 min/loading step). The washcoat composition (water, catalyst, binder type, additives etc.) highly influences the adhesion and microstructural properties. Therefore, the final washcoated foam carriers will be characterized using X-Ray Diffraction (XRD) and BET N2 physiadsorption techniques. Additional data will be taken directly from the fuel processor runs to assist in further analysis of the active constituents within the catalystic washcoat. If the catalyst could be used in a more efficient way or if a less expensive catalyst could be used, then the feasibility of affordable fuel cells in the near future would be highly increased.

121


TECHNICAL ABSTRACTS Thursday, PM 3:20-3:40 Cordova 2 ʺA Novel Application of Catalytic Ozone Chemistry for Improved Biodieselʺ Tylisha M. Baber*, Dan Graiver, Carl T. Lira, Ramani Narayan Michigan State University, Department of Chemical Engineering & Materials Science, East Lansing, MI 48824

Abstract Renewable diesel fuels derived from monoalkyl esters of long chain fatty acids, also known as biodiesel, are gaining ever-increasing attention as alternatives to petroleum-based fuels. Unlike other alternative fuels, biodiesel is of particular interest because it is manufactured using existing industrial equipment and can be used in unmodified diesel engines with current fueling infrastructure. Furthermore, biodiesel is biodegradable, renewable, non-toxic, a reliable source of fuel, and environmentally friendly. Biodiesel is one of the most thoroughly tested alternative fuels on the market. In 2000, it became the only alternative fuel in the country to have successfully completed the rigorous EPA required Tier I and Tier II health effects testing under the Clean Air Act Section 211 (b). With all these benefits, however, one important issue (other than cost) that needs to be addressed is the thermal/oxidative stability of biodiesel as it contributes to long-term storage and engine/fuel systematic problems. The oxidative instability of biodiesel is of particular concern because the products of these reactions are particulate solids, also termed “filterable sediments”, which tend to deposit on hot surfaces and eventually cause severe damage to the engine and the fuel system. In fact, the Engine Manufacturers Association has recently issued a warning against using over 5 vol% biodiesel in petroleum-based fuel because it can cause a variety of engine performance problems, including filter plugging, injector coking, piston ring sticking and breaking, and severe degradation of engine lubrication. It has been established that the thermal/oxidative stability of biodiesel is directly related to the number of double bonds present in its molecular structure, which are the initial sites of autoxidation. The objective of this research study was to eliminate the double bonds in the structure of biodiesel by ozonolysis for enhancing its thermal/oxidative stability. Biodiesel was exposed to catalytic ozonolysis in the presence of methanol, whereby the double bonds are cleaved to yield methyl and dimethyl esters. Structural analysis, including FTIR, GC, GC-MS, showed that the total amount of double bonds in the mixture were reduced by more than 90% after two hours of ozonolysis. All of the esters predicted by this novel application of ozone reaction chemistry were successfully produced. In addition to these esters, other major unexpected components were identified by GC-MS and were perhaps produced by the reactive nature of ozone at the methylated sites. Both GC, GC-MS analytical techniques also confirmed that the amounts of methyl stearate and methyl palmitate in the mixture remain unchanged, suggesting that ozone did not react with these components during the analyzed reaction times. Thermogravimetric analysis showed that ozonolysis dramatically decreased the onset volatilization temperature from 135°C to 73°C, making ozonated biodiesel fuel much more comparable to diesel fuel (76°C) than regular biodiesel. Differential scanning calorimetric studies showed that the cooling curves for both biodiesel and ozonated biodiesel displayed two exothermic regions. Furthermore, the onset freezing temperature of ozonated biodiesel in the “colder” region was significantly reduced from -63°C to -86°C and the degree of crystallinity in the “hotter” region was also reduced.

122


TECHNICAL ABSTRACTS Thursday, PM 3:40-4:00 Cordova 2 ʺNovel Mass Transfer Characterization For Slurry-Bubble Column Reactors,ʺ Isaac K. Gamwo*1, Jonghwun Jung2, and Dimitri Gidaspow2 USDOE, National Energy Technology Laboratory, Pittsburgh, PA 15236 2 Illinois Institute of Technology, Department of Chemical and Environmental Engineering, Chicago, IL 60616

1

Abstract A hydrodynamic model for the production of methanol from synthesis gas in slurry-bubble column reactors was developed, starting from first principles (Gamwo et al., 2003). The model includes the complete granular temperature balance based on the kinetic theory of granular flow. The kinetic theory model and the computer code were extended to include the effect of the mass transfer coefficient between the liquid and the gas. In this model, the mass transfer coefficient is an input. Here, we present a novel method to theoretically estimate the mass transfer coefficient in slurry-bubble column reactors and other fluidized beds. It was estimated from a relationship between the fundamental equations of the boundary layers and the turbulent kinetic energy of particles (granular temperature) computed by the hydrodynamic model. The simulated volumetric mass transfer coefficient reasonably agrees with experimental values reported in the literature. -------------Gamwo, I.K., Halow, J.S., Gidaspow, D., Mostofi, R., “CFD Models For Methanol Synthesis Three-Phase reactors: Reactor Optimization,” Chemical Engineering Journal, 93, 2003.

Thursday, PM 4:00-4:20 Cordova 2 ʺDetermination of the Effect of Breakage on Crystal Shape Distributionʺ Sheena Reeves*, Devkant Gandhi, and Dr. Priscilla Hill Mississippi State University, Department of Chemical Engineering, Starkville, MS Abstract Crystallization is an operation that is vital to many solid processes because it is the step where particles are formed. Our work uses experiments to show the effect of operating conditions on particle properties. This work uses experiments, simulation, and theory to link the fundamental chemistry and physics to the development of the process flow sheet. The purpose of this project was to determine size and shape changes of sodium chloride crystals agitated in a stirred vessel by changing the operating conditions. The operating environment included changes in the temperature, the amount of time for the crystals to form, the stirrer speed (rpm), and the amount of crystals added into the vessel. After formation, the agitated crystals were extracted from the reactor, filtered, and counted. A digital camera attached to a microscope was used to capture images of the broken crystals, and Image-Pro® Plus software was used to measure the attributes of the crystals. All information was recorded into a spreadsheet for further examination.

123


TECHNICAL ABSTRACTS Thursday, PM 4:20-4:40 Cordova 2 ʺFabrication and Characterization of Nanostructured Magnetic Multilayers and Multilayered Nanowires for the Magnetic Data Storage Industryʺ Erick J. Lawson*1, Cindy Henk2, Monica Moldovan3, Yutong Li4, E.J. Podlaha4, D.P. Young3, and Julia Y. Chan1 Louisiana State University , 1Department of Chemistry, 2Biological Sciences Socolofsky Microscopy Center, 3Department of Physics, 4Department of Chemical Engineering, Baton Rouge, LA 70803 Abstract Since the discovery of giant magnetoresistance (GMR) in electrodeposited nanostructured magnetic multilayers and multilayered nanowires, there has been interest throughout the scientific world in the fabrication and characterization of these materials. Magnetic multilayers in the form of thin films can be used as magnetoresistive sensors in the magnetic data storage industry. Arrays of nanowires have the potential for applications in perpendicular ultra-high density data storage and biosensors. Wire - shaped magnetic multilayered nanowires have been shown to exhibit GMR in the so called “current perpendicularto plane” configuration (CPP-GMR). GMR of multilayers and multilayered nanowires have been investigated in several systems that include Co/Cu, Ni/Cu, NiFe/Cu, CoNi/Cu, and Fe/Cr. In this particular work, the Co/Cu and CoFe/Cu systems will be of primary interest. This system has produced nanometric multilayers that exhibit GMR, but it has yet to be reported that multilayered nanowires in this system exhibit GMR. Our aim is to add Fe to the Co layer of Co/Cu multilayers and produce layers in the form of nanometric wires. The magnetic CoFe layer has been chosen because of its high magnetic moment and low magnetic anisotropy, two things needed in order to optimize the GMR phenomenon. The wire-like shape of the multilayers will also serve as an easier way to measure CPP-GMR.

Thursday, PM 4:40-5:00 Cordova 2 ʺCitric Acid And Itaconic Acid Production In Solid State And Submerged Fermentation Systemsʺ Matthew A. Peters1, Omroy Farquharson2, Olufemi A. Ademolu2, and Michael Gyamerah*2 Houston Community College System, Eastside Campus Department of Chemical Engineering, Prairie View A & M University Prairie View, TX 77446 1

2

Abstract A comparative study of submerged fermentation (SmF) and solid state fermentation (SSF) for the production of citric acid and itaconic acid using Apergillus niger ATCC 11144 and Aspergillus terreus ATCC 10020 respectively has been carried out. The solid state medium was wheat bran with nutrients while the submerged medium consisted of glucose and nutrients. After 48 hours, A. niger showed significantly higher yields during SSF (20.8g acid/100g glucose supplied) than during SmF (5.9g acid/100g glucose supplied). After 96 hours, A. niger reached peak production in SSF (21.6g acid/100g glucose supplied) and decreased to

124


TECHNICAL ABSTRACTS 12.1 g acid/100g glucose supplied after 216 hours, while in SmF acid production continued to increase and reached a peak of 45.4g acid/ 100g glucose supplied after 192 hours. The use of A. terreus resulted in very low yields of acid in SSF with a peak yield of only 6.3g acid/100g glucose consumed after 96 hours. In SmF, itaconic acid yield peaked at 35.4g acid/ 100g glucose consumed after 168 hours. The high pH of the solid state medium above 6.5 observed during fermentation using A. terreus suggest that cis-aconitate decarboxylase essential for itaconic acid production, and expressed at pH below 3.0 was not expressed. The results suggest that SSF could provide a very competitive bioprocessing strategy for the production of citric acid production.

Thursday, PM 5:00-5:20 Cordova 2 ĘşNeat and In Vitro Degradation Behavior of Biodegradable 4-Star PEO-PLAĘş LaTisha E. Salaam1, Derrick Dean2, Terry L. Bray1 University of Alabama at Birmingham , 1Department of Biomedical Engineering, 2Department of Materials Science and Engineering, Birmingham, AL 35294 Abstract Drug delivery vectors for sustained release include a variety of polymeric constituents, both natural and synthetic. Among artificially synthesized polymers several linear copolymer systems have been explored for use as drug delivery vectors. These copolymer systems have hydrophobic and hydrophilic polymer portions that promote micelle and microsphere formation, which can envelop a drug construct. The Polyethylene glycol/Polyethylene oxide (PEG/PEO) based drug delivery vector, specifically the Polyethylene glycol/Polyethylene oxide Polylactide (PEG/PEO-PLA) copolymer system, is of particular interest because it is both biocompatible and biodegradable. Release of the pharmaceutical agent is affected by the degradation characteristics of the polymer and/or by swelling of the polymer. The overall goal of this study is to evaluate the degradation behavior of an unstudied branched PEO-PLA based polyether ester as a drug deliveryvector. This polyether ester may present enhanced physical properties suitable for drug delivery due to hydrophobic branches that may aggregate in aqueous and biological systems to form nanoparticles known as micelles, which act as a housing for hydrophobic drug constructs. This study investigates and characterizes the degradation behavior of three star biodegradable copolymers of PEO-PLA with differing PLA chain lengths, which were coacervated into micelles, over a time span of 21 days. The degradation of these micelles was characterized by acid assay, fluorescence, and transmission electron microscopy. In addition, thermal degradation of the neat material was examined by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). It was observed that 1) degradation time was dependent on PLA chain length 2) there was change in critical micelle concentration as degradation ensued, and 3) the size and shape of the micelles changed with degradation. There were two distinct transition peaks for each of the neat material samples obtained by DSC. All samples exhibited high thermal degradation temperatures as observed by TGA. Furthermore, the samples studied exhibited significant polydispersity in the size distribution of the micelles formed as observed by transmission electron micrographs. Similar observations of polydispersity have been made for studies of linear PEO-PLA triblock copolymer systems.

125


TECHNICAL ABSTRACTS Thursday, PM

Analytical Chemistry 3:30 - 5:00

Cordova 3

Session Chair Thursday, PM Cordova 3 3:00-3:15 ʺCharacterization of Polyelectrolyte Multilayers on Polymeric Substrates using Atomic Force Microscopyʺ Angela N. Douglas*1, Sam P. Forry2, Laurie E. Locascio2, Isiah M. Warner1 Louisiana State University, Department of Chemistry, Baton Rouge, LA 70803 National Institute of Standards and Technology, Analytical Chemistry Division, Gaithersburg, MD 20899 1

2

Abstract Polyelectrolyte multilayers (PEMs) have been used as stationary phases for various analytical separations. In this study the deposition of PEMs on several polymeric substrates [Polycarbonate (PC), poly(methylmethacrylate) (PMMA) and oxidized poly(dimethylsiloxane) (PDMS)] was investigated using atomic force microscopy (AFM). The PEMs were physically adsorbed on the surfaces in well defined patterns by flowing alternating rinses of a polycation and a polyanion through a microfluidic network. The network was defined by PDMS channels in conformal contact with the polymer surface. In this investigation, poly(diallyldimethylammonium chloride) (PDADMAC) was used as the polycation and a polymeric surfactant, poly(sodium N-undecylenyl- L-leucyl-alanate) (poly-L-SULA), was used as the polyanion. After deposition of the PEMs, the channels were allowed to dry overnight before the PDMS channel was removed. The PEM lines were then analyzed using AFM. The heights and uniformity of the PEMs on the various substrates were investigated as well as the effect of varying the salt concentration of the PDADMAC on the polymeric substrates. In conclusion, the PEMs studied here can be a useful tool for future microfluidic separations in polymeric devices.

Thursday, PM 3:15-3:30 Cordova 3 ʺTrends In Phencyclidine (Pcp): History, Synthesis, And Analysisʺ Brian J. Makela* US Drug Enforcement Administration Mid-Atlantic Laboratory, Largo, MD 20774 Abstract PCP was originally developed as an anesthetic in the 1950s, but after a wave of extreme side effects, its use in humans was discontinued in 1965. In the late 1960s, PCP became available for use as a veterinary anesthetic under the trade name of Sernylan® and was placed in Schedule III of the Controlled Substances Act (CSA). With abuse on the rise, the variety of side effects encountered was disconcerting. In 1978, it was transferred to Schedule II of the CSA and manufacture of Sernylan® was discontinued. It has been documented that peak use occurred around 1979. Consequently, the Drug Enforcement Administration’s (DEA) laboratory system saw an incredible surge in exhibits analyzed in the early to mid 1980s. In 1986, the

126


TECHNICAL ABSTRACTS laboratory system analyzed nearly 5,000 PCP exhibits. The overwhelming majority of these exhibits were collected in the Washington, D.C. area and forwarded to the Mid-Atlantic Laboratory for analysis. The MidAtlantic Laboratory continually received the majority of exhibits for the rest of the decade. They accounted for approximately 90% of the PCP exhibits submitted to DEA laboratories between 1982 and 1989. In recent years, the abuse of PCP has increased. Recent emergency room surveys indicate PCP abuse is increasing with over 6000 admissions in 2001. The DEA laboratory system has seen a steady increase of PCP submissions. There has been a 40% annual average increase in submissions from 1998 to 2003. The Washington, D.C. area still accounts for over 80% of those submissions. According to the El Paso Intelligence Center (EPIC), seizure of clandestine PCP laboratories is also on the rise. From 1998 to 2003, 54 clandestine PCP laboratory seizures were reported with the majority being in the state of California. This presentation will take a look at the history of PCP and examine recent trends to see if PCP is making a comeback to the levels that it attained in the 1980s. It will discuss synthesis routes that have been and are currently being used, i.e. Maddox method, via enamines, and analogue synthetics. Techniques being used by forensic chemists to analyze routine and non-routine samples will also be addressed. Finally, a case that made local headlines in Baltimore, Maryland will be evaluated. A very large scale clandestine PCP laboratory was seized in November 2002. The laboratory had the capacity of producing over 1000 gallons of liquid PCP. This seizure reveals that large scale production is still a distinct possibility.

Thursday, PM Cordova 3 3:30-3:45 ĘşEnantiomeric Excess Determination of MaxiPost Using Mass Spectrometry and the Kinetic Method Brandy L. Young*1, Scott A. Miller2, and R. G. Cooks1 Purdue University, Department of Chemistry, West Lafayette, IN 47906 2Bristol-Meyers Squibb Company, One Squibb Drive, New Brunswick, NJ 08903 1

Abstract Researchers are often left with outdated tools to analyze recently developed drugs. This has been a major concern within the pharmaceutical industry as high-throughput drug synthesis is actively used but the corresponding high-throughput analytical technologies lack the properties that justify their widespread adoption. Many technologies have been introduced to address the throughput problems commonly encountered in chemical analysis, but few have been integrated into routine analytical practice. One exception might be with chiral analysis. Chiral analysis is commonly achieved using; chromatography, nuclear magnetic resonance spectroscopy, circular dichroism or enzymatic techniques. Chromatography tends to be the dominant technique in many industries. While chromatography is a suitable analytical technique, methods often suffer from long analysis time and chiral columns tend to be rather delicate. The present work demonstrates the use of mass spectrometry (MS) as a tool for chiral separation and quantification. The particular example demonstrated in this work is the analysis of a novel Bristol-Meyers Squibb (BMS) drug, MaxiPost. Chiral quantification of MaxiPost, has been achieved with MS using the kinetic method formulism (a gas phase method for thermochemical determinations) developed by Cooks et. al. The kinetic method uses competitive fragmentation to infer thermochemical information and obtaining the mentioned thermodynamic information requires; (1) gas phase clustering through ion molecule reactions and (2) competitive fragmentation through collision induced dissociation (CID). This allows very specific thermodynamic values to be obtained as a result of the differences in the rates of dissociation. The obtained information can be correlated to the chirality of the species of interest. Using the kinetic method formulism, a newly developed chiral MS method was benchmarked against an existing liquid chromatography method.

127


TECHNICAL ABSTRACTS It was determined that the accuracy and precision of the MS method was comparable to that of the liquid chromatography method. Analysis time was reduced and the method was validated for the routine analysis of MaxiPost. The potential applicability of MS as a routine tool for chiral analysis has been demonstrated through the use of this method.

Thursday, PM Cordova 3 3:45-4:00 ʺDetection of Benzoyrene-Deoxyguanosine Adducts by Matrix Assisted Laser Desorption/Ionization Time of Flight Mass Spectroscopy (MALDI-TOFMS)ʺ Uche C. Udeochu1, Mellissa Fletcher, Toiya Jimmerson, Dapo A. Bakare, Charles M. Hosten.* Howard University, Department of Chemistry, Washington, DC 20059. A method for the detection of BPDE-d guanosine adducts using matrix-assisted laser desorption/ionization time of flight spectroscopy (MALDI-TOFMS) is described and illustrated. The results indicate that MALDI is capable of detecting two other DNA benzopyrene adducts, which are trace products formed during the synthesis of BPDE-d guanosine. This MALDI-TOFMS method offers the potential for the detection of DNA adducts in human tissue using very limited sample purification and preparation.

Thursday, PM Cordova 3 4:00-4:15 ʺReal Time Pilot Plant Monitoring of Novel Antibiotic Intermediates via ReactIRTMʺ Frank Dixon Jr*, Qiaogong Su and Philip C Dell’Orco GlaxoSmithkline Research and Development, Department of Chemical Development, King of Prussia, PA 19406 Abstract The first step in the manufacture of a novel potent antibiotic candidate involves the formation of an intermediate which can readily degrade in the presence of oxygen. A method to monitor completion of the desired reaction without this degradation occurring is crucial. Typical LC analysis is not possible because the plant sampling technique cannot completely exclude oxygen. This article discusses the development of an in situ ReactIR method for determining the completeness of the reaction. Combined reaction calorimetry (heat evolution) data and ReactIR spectral data were used to develop a successful in-process monitoring (IPM) method for the pilot plant.

Thursday, PM Cordova 3 4:15-4:30 ʺInvestigating The Enantiomeric Recognition Ability Of p-SULVʺ Kristin A. Fletcher1, Bertha C. Valle1, Kevin Morris2, Cynthia K. Larive3, Isiah M. Warner*1 1

Louisiana State University, Department of Chemistry, Baton Rouge LA 70803 2Carthage College, Department of Chemistry, , Kenosha, WI, 53140 3The University of Kansas, Department of Chemistry, Lawrence, KS 66045

128


TECHNICAL ABSTRACTS Abstract The enantiomeric recognition of poly sodium N-undecanoyl-L-leucylvalinate p-SULV was investigated previously by our group. Using micellar electrokinetic chromatography (MEKC), we have found the polymeric surfactant (PS) to be 77% effective in separating a group of 75 cationic, anionic, and neutral chiral analytes of different structural features. Based on this study, we were able to make reliable observations on patterns of recognition between the PS and the various moieties of the analytes. Because p-SULV containstwo centers of asymmetry, information on the major site(s) of recognition on the PS were investigated using NOESY-NMR and MECK studies. Patterns observed using the above methods, that can provide information on the different types of interactions taking place during a chiral separation mechanism, are discussed. In addition, our group has demonstrated a relationship between chiral selectivity, a chromatographic parameter determined using MEKC, and fluorescence anisotropy. The rotational correlation time and rotational diffusion coefficient of the rotating, fluorescing species, i.e., the PSenantiomer complex, can be determined using fluorescence techniques. We evaluate the relationship between chiral selectivity and fluorescence anisotropy by a consideration of rotational correlation time and rotational diffusion coefficients.

Thursday, PM Cordova 3 4:30-4:45 ʺThe Determination of the Mechanism of Electrochemical Reduction of 2-Chloro-3-Diacetylamino-1,4-Naphthoqiunone by Cyclic Voltammetry and UV/Visible Spectroscopyʺ Melissa C. Fletcher*, Satara A. Brown, Brittany Dawson, Charles M. Hosten, and Oladapo Bakare Howard University, Department of Chemistry, Washington, D.C., 20059 Abstract Mitogen-activated protein kinases (MAPK) are of interest because they have been identified as therapeutic targets for various dysfunctional bodily processes. They are activated in a three-kinase cascade. The second protein in the cascade is a MEK, a Mitogen-activated protein/ Extracellular-signal-regulated Kinase. This protein activates another protein that targets growth and differentiation of mammalian cells. Many of the proteins that participate in MAP kinase cascades are products of proto-oncogenes. Inhibiting the activation of the MAP kinases is appealing to scientists to aid in uncovering the secrets of cancer. 2-chloro-3diacetylamino-1,4-naphthoqiunone(CDNQ) has recently been identified as a MEK-1 inhibitor. This type of compound is thought to disrupt the electron-transport process integral to cellular energy production. Similarly, it is thought that the inhibition of MEK-1 may be due to 2-chloro-3-diacetylamino1,4-naphthoquinone’s ability to participate in electron- transfer. . Knowing the intermediates and products will provide more insight to the manner in which the mitogen-activated protein kinase cascades take part in carcenogenesis. The mechanism of reduction of CDNQ is experimentally determined in acetonitrile via cyclic voltammetric and differential pulse voltammetric techniques on silver electrode. UV/vis spectroscopy is used to aid in assigning the ring reductionIn preliminary experiments, two reversible peaks, one quasireversible peak, and an irreversible peak are seen which are thought to correspond to the two, one-electron quinine reduction steps, the reduction of the aromatic ring, and the reduction of the amino substituent, respectively. The study hopes to discover any pH dependency in the reductive electrochemistry of CDNQ. 129


TECHNICAL ABSTRACTS Thursday, PM Cordova 3 4:45-5:00 ʺChiral and Achiral Separations Using Polymeric Surfactants and Polyelectrolyte Multilayer Coated Capillariesʺ Mary W. Kamande*, Constantina Kapnissi, Xiaofeng Zhu and Isiah M.Warner Louisiana State University, Chemistry Department, Baton Rouge LA 70802 Abstract In this study the application of polymeric surfactants as a stationary phase coating in open-tubular capillary electrochromatography (OT-CEC) is investigated. The stationary phase coating is a polyelectrolyte multilayer (PEM) that consists of a cationic polymer and an anionic polymeric surfactant. The coating procedure is relatively simple and involves and alternate rinses of the cationic and anionic polymers across the capillary surface. A PEM that consists of cationic polymer poly (diallyldimethyl ammonium chloride) and anionic poly (sodium undecylenic sulphate) is investigated for the achiral separation of both phenols and benzodiazepines. For chiral separations, the PEM consists of the cationic poly (L-lysine hydrobromide), and the polymeric dipeptide surfactant, poly (sodium undecanoyl-L-leucyl-alaninate). The chiral separation of three binaphthyl derivatives and two β-blockers is discussed. Optimal separation conditions are obtained by varying a number of are parameters such as voltage, temperature and sodium chloride content. In addition, the number of bilayers is found to have a significant influence on the separation efficiency and resolution of enantiomers. The run-to-run and capillary-to-capillary reproducibilities are evaluated by calculating the relative standard deviation of the electroosmotic flow (EOF), and were found to be typically less than 1%. The coating is also stable, allowing more than 100 runs to be carried out in the same capillary. In addition, the coupling of chiral OT-CEC with mass spectrometry (MS) is investigated.

Friday, AM

Molecular Recognition: Host-Guest, Macroand Supra-Molecular Chemistry 9:00 - 10:20

Cordova 2

Session Chair

Dr. Carl Johnson, Southern, University at New Orleans, Department of Chemistry, New Orleans, LA Friday, AM Cordova 2 9:00-9:15 ʺStudying The Host-Guest Interaction Of Tethered Corannulene Units With Electron Deficient Metalsʺ Angela Hurst, and James Mack* University of Cincinnati , Department of Chemistry, Cincinnati OH 45221-0172 Abstract The potential use of carcerands, molecules that encapsulate other molecules, has shown promise in drug delivery nanotechnology and has demonstrated stabilization of highly reactive intermediates. We envision using fullerene fragments as templates for the development of carcerands. Along with the synthesis of 130


TECHNICAL ABSTRACTS corannulene-based carcerands a major goal of this research project is to study host-guest interaction of corannulene based molecules with electron deficient metals and non-metals. Using two corannulenes tethered by an enediyne unit will allow us to study the interactions of various guests with corannulene and study the effect of complexation on the Bergman cyclization. This information will be used to develop corannulene based molecules the easily allow guest entry and restrict guest departure.

Friday, AM

Cordova 2 9:15-9:30 ĘşMonodisperse Metallic NanoclustersĘş

Tywania Daniels, Dr. Adams*, Burjor Captain, Jack L. Smith, and Dr. Mbah University of South Carolina, Department of Chemistry and Biochemistry and the USC Nanocluster, Columbia, South Carolina 29208 Abstract Nanoclusters are used to create new compounds in chemical industries. Metallic nanoclusters have developed great challenges for chemists by controlling their size during synthesis. There are ligands that form coatings on the particles to the metal atoms that strongly influence the synthesis of the nanoclusters. Organic chemists have developed new compounds, which contain cavities. These cavities are called calixarenes and resorcinarenes, which are held together by hydrogen bonds. These compounds will encapsulate the nanoclusters. A variety of clusters such as ruthenium carbonyl cluster complexes have been used with metals platinum and palladium with tri-tert-butyl phosphine groups. The uses of these clusters were used given that they have been shown to be good precursors for bimetallic nanoparticles that serve as highly active and selective heterogeneous catalysts for hydrogenation reactions. Other clusters were platinum-rhodium carbonyl clusters, which was also used in the experiment with the selective metals platinum and palladium. Iron nitride was also used in the experiement to determine the possible catalytic hydrogenation or nitrogen with metal clusters. Calixarenes and resorcinarenes make good host for metal species with appropriate modifications it could lead to successful entrapment of neutral metal clusters and exhibit size selectivity.

Friday, AM

9:30-9:45 ĘşSynthesis of Silylated Calixarenes

Cordova 2

Paul F. Hudrlik,* Anne M. Hudrlik,* Wondwossen D. Arasho, Liping Zhang, and Jaeeock Cho Howard University , Department of Chemistry, Washington, D. C. 20059

131


TECHNICAL ABSTRACTS Abstract Calixarenes, which are macrocyclic oligomers made up of phenol units linked by methylene bridges, are receiving increasing attention in the field of molecular recognition (host-guest chemistry), because of their potential utility as molecular receptors. Host molecules containing silicon groups are of potential interest for the recognition of anions. Two methods were investigated for the synthesis of silylated calix[4]arenes from bromo- or iodocalixarenes. (1) The Wurtz-Fittig reaction with sodium and chlorosilanes. For this method, procedures which worked well on a small model compound (p-bromoanisole) gave sluggish reactions and mixtures of products when applied to a bromo propyloxycalixarene. However, treatment of a bromo benzyloxycalixarene with Na/Me3SiCl in toluene resulted in a facile reaction in which the calixarene was silylated at both the upper and lower rims with loss of the benzyl groups. (2) Halogen-metal exchange with t-butyllithium followed by silylation. For this method, yields and ease of purification were greatly improved by preparing a mixture of the chlorosilane with triethylamine, and using the clear supernatant. A number of bis- and tetrakis(triorganosilyl)calixarenes have been prepared conveniently and in good yields using this method. When bis(allyldimethylsilyl)calix[4]arenes were treated with commercial tetrabutylammonium fluoride in THF, the products were novel calixarenes containing a disiloxane bridge across the upper rim.

Supported by the W. M. Keck Foundation and the Department of Defense

Friday, AM

9:45-10:00 BREAK

Cordova 2

Friday, AM Cordova 2 10:00 -10:15 ĘşMetal(I) and Metal(II) Complexes of a New Water-Soluble PorphyrinĘş Lee Jackson, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo and George N. Williams Savannah State University , Department of Natural Sciences and Mathematics, Savannah, GA 31404 Abstract Zinc(II), cadmium(II), mercury(I), Mercury(II) and silver(I) have been successfully incorporated into a new water-soluble porphyrin, trikis(pentafluorophenyl)-4-sulfonatophenyl porphyrin at room temperature. In water, the zinc-porphyrin complex formed is independent of anions(OAc- , NO3- , I-) with absorbance 132


TECHNICAL ABSTRACTS maxima at 424, and 556 nm. Mercury(I), mercury(II), cadmium(II), and silver(I) incorporation into this porphyrin under similar conditions could not be done due to precipitation. In methanol, however, such complication was avoided. Zinc(II) porphyrin complex formed is independent of anions with absorbance maxima at 421, and 555 nm. Cadmium(II) porphyrin complex shows absorbance maxima at 430, 566 and 608 nm while mercury(I) and mercury(II) porphyrin shows absorbance maxima at 427 and 565 nm. Silver(I) porphyrin formed is independent of anions with absorbance maxima at 422 and 539 nm. This new porphyrin is capable of differentiating zinc(II), cadmium(II), mercury(II) and silver(I) as the absorbance maxima are uniquely different.

Friday, AM Cordova 2 10:15 -10:30 ʺMetal Ions Interactions with Sulfonated Meso- Tetrakis(1,4-Benzodioxanyl)Porphyrinʺ Shannon Watts, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo and George N. Williams Savannah State University, Department of Natural Sciences and Mathematics, Savannah, GA 31404 Abstract Recently, we reported the synthesis, purification, isolation and uv-visible spectral characterization of a new porphyrin derived from 1,4-benzodioxan-6-carboxaldehyde. This porphyrin has been successfully sulfonated very quickly and at room temperature. We now report uv-visible spectral characterization of Zn2+, Cd2+, Hg+1 , Hg2+, Ag+1, Ca2+, Co2+, Cu2+ and Mn2+ porphyrin complexes. Significant spectral changes were observed immediately upon addition of metal salts to water solution of this new porphyrin. Zinc, cadmium, mercury, silver ions were incorporated very fast while it took a longer time to observe any spectral changes for calcium, copper and cobalt ions.

Friday, AM

Materials Chemistry 9:00 - 10:30

Session Chair Friday, AM

Cordova 3

Cordova 3 9:00-9:15 ʺThe Chemical Vapor Deposition of Diamond and Carbon Nanotubes in Strong Magnetic Fieldʺ Ariel B.L. Bedford, 2Robert Goddard and 1Reginald B. Little, Sr.*

1

Florida A&M University, Department of Chemistry, Tallahassee, FL32307 Florida State University, Department of Chemistry, Tallahassee, FL 32307

1 2

Abstract Both academia and industry are fascinated about the potential impact of nanoscience and nanotechnology. The discovery of carbon nanotubes by S. Iijima in 1991 has resulted in these tubes being a cornerstone of the emerging nanotechnology revolution. Diamond is an extraordinary material with many potential applica-

133


TECHNICAL ABSTRACTS tions. The mass productions of diamond and carbon nanotubes are currently limiting the industrial application of these remarkable materials. This research explores the synthesis of carbon nanotube by catalytic chemical vapor deposition from methane precursor using an Fe-Mo catalyst. The synthesis and anchoring of nanosize catalysts onto a silicon substrate is explored. The chemical vapor deposition of carbon on these nanocatalysts is discussed. Diamond is observed to form in magnetic field in excess of 15T.

Friday, AM

Cordova 3 9:15-9:30 ʺModification of Carbon Nanotubes using Primary Alcoholsʺ

Jerlinda Ross1, Pamela M. Leggett-Robinson*1, Mohamed A. Abdalla2 and Derrick Dean*2 1

Department of Chemistry, Tuskegee University, Tuskegee, AL 36088; 2Department of Materials Science and Engineering, University of Alabama at Birmingham, Birmingham, AL Abstract

Polymer/carbon nanotube materials have received attention from researchers due to the versatility of their applications. One key point in improving the properties of these materials is the chemical modification of the surface of the nanotubes. Chemical modifications have been shown to enhance the interaction of the nanotubes with the polymer and serve as a polymerization site for several polymer systems. Thus far, modifications to the nanotube surface have been limited to carboxylic acids due the convenience and variety of chemical reactions that can be conducted with carboxylic acids. Primary alcohols serve as intermediates in a host of organic reactions. The incorporation of primary alcohols to the surface of the nanotubes will widen the range of polymeric systems that can utilize these nanotubes as reinforcements. In this study, a novel approach for incorporating primary alcohols will be assessed.

Friday, AM Cordova 3 9:30-9:45 ʺSelf-Assembled Nanotubes of Cyclic Ureas and Their Host/Guest Properties,ʺ Stevan Samuel University of South Carolina, Department of Chemistry and Biochemistry, Columbia, SC and Benedict College, Department of Chemistry, School of Biological and Physical Sciences Columbia, SC 29204 Abstract This report focuses on the synthesis and study of bis-urea macrocylces with the ability to form supramolecular structures which self-assemble into nanotubular columns. These structures contain channel shaped cavities which demonstrate the ability to host guest molecules within the nanotubular structures. These guest molecules can be removed from the channel shaped cavity, within the nanotubular structure, leaving the entire macrocyclic framework intact.

134


TECHNICAL ABSTRACTS macrocyclic monomer self-assembly

n

cylindrical assembly

Friday, AM Cordova 3 9:45-10:00 ʺSynthesis And Characterization Of Novel Tungsten Imido Complexes As Single-Source Precursors For Tungsten Nitride Thin Filmʺ Corey B. Wilder1, Lisa McElwee-White*1, Omar J. Bchir2, Timothy J. Anderson*2 University of Florida, Department of Chemistry, Gainesville, Fl 32608 University of Florida, Department of Chemical Engineering, Gainesville, Fl 32608 1

2

Abstract We have preciously shown that the complex W(NPh)Cl4(NCPh) (1) can serve as a single-source precursor for the metalorganic chemical vapor deposition (MOCVD) of tungsten nitride. We have also shown that fragmentation patterns obtained from mass spectrometry experiments can be used to predict how viable a precursor will be under deposition conditions. We have now derivatized 1 and related tungsten imido complexes to generate a series of tungsten imido guanidinato and amidinate complexes. Fragmentation patterns obtained from mass spectrometry experiments suggest that favorable decomposition of the guanidinato and amidinate precursors will take place during deposition.

Friday, AM Cordova 3 10:00-10:15 ʺCharacterization of Dye-Sensitized ZnO Thin Films for Solar Cell Applicationsʺ Celina S. Dozier* and Egwu E. Kalu FAMU-FSU College of Engineering, Department of Chemical Engineering, Tallahassee, FL 32310 Abstract Solar energy is a renewable energy source that innovative and cost-friendly methods are being developed for its usage. Dye-sensitized solar cell (DSC) is one type of solar cell based on dye-sensitized zinc oxide (ZnO) that is being considered for harvesting solar energy. A combination of electroless and electrolytic methods (methods amenable to producing large area solar cells at a very low cost) was used to deposit ZnO/organic dye on flexible metallized polymer films (polyimide and PET). The ZnO/dye deposits on nickel and copper substrates were characterized using SEM, AFM and XRD techniques. The results were related to the plating conditions and show that the plating conditions affect the composition, microstructure and crystallinity of the ZnO/dye thin films.

135


TECHNICAL ABSTRACTS Friday, AM Cordova 3 10:15-10:30 ʺA Comparison Of Nanoparticle Dispersion Methods On The Morphology And Properties Of Epoxy Based Nanocompositesʺ Keith Green, M. Abdalla, M. Jose and D. Dean* University of Alabama at Birmingham, Department of Materials Science and Engineering Birmingham, AL 35294 Abstract The field of polymer-clay nanocomposites has attracted considerable attention as a method of enhancing polymer properties and extending their utility, by using molecular or nanoscale reinforcements rather than conventional particulate field microcomposites. While a significant amount of work has been published on thermoplastic based nanocomposites, however, comparatively few studies of thermoset-based systems have been published. Thus, our research is centered on elucidating the structure-property relationships of thermoset-based nanocomposites. In this presentation, we will discuss recent efforts in which we have investigated the effect of various nanoparticle dispersion methods on the morphology and properties of epoxy resin based nanocomposites. Both organically modified, layered silicates (OLS) and carbon nanofibers have been dispersed in an epoxy resin matrix. For the epoxy/OLS systems, at a given OLS loading, the glass transition temperature was observed to increase by 40oC, depending on the dispersal method. While the modulus enhancements were nominal, the strain to failure, was significantly enhanced. Morphological studies using transmission electron microscopy and x-ray diffraction are being conducted in order to corroborate with the physical properties studies.

Friday, AM

Spectroscopy Cordova 2 10:30 - 11:50 Session Chair Dr. Shawn Abernathy, Chemistry department, Howard University, Washington, DC Friday, AM Cordova 2 10:30-10:50 “Exploring Intersystem Crossing in The Excited State of CS2 with Velocity Ion Imaging” William M. Jackson, Dadong Xu, and Jianhua Huang University of California - Davis, Department of Chemistry, Davis, CA 95616 Abstract The photodissociation of CS2 in the wavelength range between 189 to 220 nm is the wavelength region responsible for the photodissociation of this molecule in comets and planetary atmospheres. The excited 1B2 state that is accessed in this spectral region is bent and the 1 g ground state of the molecule is linear. The molecule dissociates into a CS(1 and either a S(3P) or a S(1D) atom. An intersystem crossing to a triplet state

136


TECHNICAL ABSTRACTS must have occurred to explain the formation of S(3P) atoms because the state that is initially excited is a singlet state. Our velocity ion imaging has the unique capability of being able to determine the state of the ion as well as the angular and translational distributions of the fragments. In the experiments that will be described in this talk a pulsed molecular beam is used to produce a beam of CS2 molecules in the interaction region of a velocity ion imaging apparatus. Once the CS2 molecules are in this region they are dissociated with a tunable laser formed by doubling the output of a dye laser with a beta barium borate doubling crystal. The triplet or singlet atoms that are formed can be selectively ionized with a tunable VUV laser and they are then separated in a time of flight mass spectrometer. Ions with the same velocity are focused onto the same radii of a multi-channel plate (MCP) detector, if the proper voltages are used in the ionizer. The electrons produced by this detector are accelerated to a phosphor screen where an image of the mass selected fragment is produced. Pulsing the voltage on the MCP detector will isolate the image of only one mass. Then the image on the screen can be recorded by a TV camera and the data stored on a computer. The translational and angular distributions for these atoms are extracted from this information. A total translational energy distribution can be determined using this same method if a VUV laser that can ionize both the singlet and triplet sulfur atoms is employed. This data can then be used to extract the triplet-singlet ratio when it is combined with the earlier measurements on the individual atoms. How this ratio varies with excitation energy is a clue about how intersystem crossing changes with the position on the excited potential surface because the excitation energy determines which part of the surface is accessed. An additional clue to dynamics of intersystem crossing is the parameter, which is calculated from the angular distribution. For linear molecules, the parameter is 2 for a parallel electronic transition and -1 for a perpendicular electronic transition whenever the dissociation is direct. The ground state of closed shell molecules is totally symmetric which can be used along with this parameter to determine the symmetry of the excited state. When the molecule is non-linear or when the dissociation is not direct these values will be less. Nevertheless the information often can still be combined with models and provide information about the electronic symmetries of the excited state. The triplet-singlet ratio and the angular distributions will be used to discuss the dynamics of intersystem crossing in this triatomic molecule. The authors gratefully acknowledge the support of this work by the National Science Foundation (NSF) (Grant No. CHE-0100965) and NASA (Grant No. NAG 5-12124).

Friday, AM Cordova 2 10:50-11:07 ʺVacuum-UV Dissociative Photoionization Dynamics of Perfluorocarbons by Ion Imaging With Synchrotron Radiationʺ Ramsey L. Smitha, Vernon R. Morrisa, Christophe Nicolasb, Musa Ahmedb, Stephen Leonebc, Howard University, Department of Chemistry, Washington, DC 20059 bErnest Orlando Lawrence Berkeley National Laboratory Chemical Dynamics Division, Advanced Light Source Laboratory, Berkeley, CA 94720 cUniversity of California, Berkeley, Berkeley CA 94720 a

Abstract Perfluorocarbons (PFCs) have become of major interest in the study of global warming due to their long atmospheric lifetimes and their infrared cross sections that are in the absorption windows of CO2 and H2O. The only plausible removal of PFCs from the Earth’s atmosphere is by reactions with radicals or photochemical processes occurring in the mesosphere and ionosphere. One of the

137


TECHNICAL ABSTRACTS most important photochemical processes is vacuum ultraviolet dissociative ionization and it is the principle decay mechanism that follows the excitation of these molecules . The dissociative ionization of the perfluorocarbons c-C4F8 and C2F6 was studied using the photofragment-imaging technique coupled with a vacuum ultraviolet synchrotron radiation on beamline 9.0.2 at the Advanced Light Source Laboratory (ALS), Ernest Orlando Lawrence Berkeley National Laboratory (LBNL). The objective of this study is to understand the dissociative photodynamics of the perfluorocarbon and their ions. A direct inversion of the raw data will yield translational energy, speed and angular distributions for the products.

Friday, AM 11:07-11:24 Cordova 2 â&#x20AC;&#x153;MALDI-TOF Mass Spectroscopy and Homeland Defense at The John Hopkins University Applied Physics Laboratory,â&#x20AC;? Miquel Antoine*, Tim Cornish, Scott Ecelberger, Plalmen Demirev, and Jason Quizon The Johns Hopkins University Applied Physics Laboratory, Laurel, MD 20723

Abstract Matrix-Assisted Laser Desorption Ionization Time-of-Flight Mass Spectrometry (MALDI-TOF MS) is emerging as a powerful technique for the rapid analysis of microorganisms. Microbial compounds have routinely been analyzed by more conventional methods, such as polymerase chain reaction techniques and enzyme-linked immunoassays, however these approaches can be time consuming and require large amounts of sample. Due to the heightened awareness of the biological threat nature of some bacterial species, increased emphasis has been placed on the detection and identification of biological warfare agents. A crucial requirement for biological agent detection systems is the time required for highly reliable and accurate identifications. MALDI-TOF MS provides a fast and efficient approach for identifying intact bacterial and viral components over a broad mass range, thus encompassing a wide variety of bio-threat compounds. Various laboratories have demonstrated the utility of this technique in the characterization of many different types of microorganisms. Here at The Johns Hopkins University Applied Physics Laboratory, a team of researchers has designed and fabricated miniaturized MALDI-TOF MS instruments as field deployable units for detection and identification of biological threat agents. By analyzing biological simulant compounds under varying experimental conditions, such as growth media, matrix selection and sample clean-up procedure, we further illustrate the usefulness of MALDI-TOF MS as a viable method for detecting and identifying bacterial organisms.

138


TECHNICAL ABSTRACTS Friday, AM Cordova 2 11:24-11:41 “Photochemical Reaction Rates of 1,3-, 1,6-, 1,8-Dinitropyrene, 1-, and 2-Nitropyrene and 6-Nitrochrysene” Gernerique Stewart*1, Jian Yian,2, Lei Wang2, and Hongtao Yu2 Jackson State University, College of Science, Engineering, and Technology, Department of Chemistry, Jackson, Mississippi, 39217

1, 2

Abstract Polycyclic Aromatic Hydrocarbons (PAHs) are a class of widely spread mutagenic and tumorigenic environmental contaminants. Nitro-polycyclic aromatic hydrocarbons (nPAHs) are derivatives of PAHs, and contain two or more fused aromatic rings made of carbon and hydrogen atoms. They are formed as a result of incomplete combustion of organic material both from natural events and human activities. N-PAHs are of primary concern because most of them are more carcinogenic than their parent PAHs, and also display a great degree of mutagenicity. They occur in the environment in the vapor phase or absorbed to particulate matter. Photochemical reaction rate of 6-nitrochrysene (6-NC), 1,3-dinitropyrene (1,3-DNP), 1,6dinitropyrene (1,6-DNP), 1,8-dinitropyrene (1,8-DNP), 1-nitropyrene (1-NP), and 2-nitropyrene (2-NP) were studied. The samples were premixed in methanol, and then diluted to a desired concentration with 80% acetonitrile (CH3CN) and 20% water (H2O). All chemical compounds were irradiated by a UVA lamp at 6 cm distance with energy of 144 J/cm2·h. The degradation of each compound was monitored on a Hewlett Packard HPLC HP 1100 Series by injecting 15µL of sample. The HPLC was equipped with a Hypersil ODS 5µm 250mm x 4.6mm column and had a flow rate of 1.00mL/min. The wavelength range used to monitor the samples was 340nm-460nm. 1,3-, 1,6-, 1,8-DNP and 1-NP and 2-NP were monitored using solvents of 80% CH3CN and 20% H2O. The retention time (RT in minutes) and the height (in mAU) of each peak for each sample were recorded and then averaged after replicating the procedure in triplicate. The results were averaged using the equation [(X1 + X2 + X3 + … XN)/N], and then plotted on a graph of concentration vs. time to show the degradation of each peak. The natural logarithm (Ln) [x]) was taken of the averaged results and plotted on a graph of concentration vs. time in order to obtain a linear graph. The linear equation

Ln [A] = Ln [A]0-kt where [A] is the height of the peat time t, [A]0 is the height of the peak at time 0, k is the rate constant and t is time was used to determined k. Once the rate constant (k) was calculated, then the half - life of each sample was calculated by using the equation t1/2=0.693/k. 1,3- 1,6-, and 1,8-DNP using 80% CH3CN and 20% H2O displayed a half-life (t1/2) of 28 minutes, 15 minutes, and 20 minutes, respectively. 1-and 2-NP in 80% CH3CN and 20% H2O displayed half-lives of 18 minutes, and 32 minutes, respectively. Photoproducts of all the above N-PAHs are being investigated.

139


TECHNICAL ABSTRACTS Friday, AM Cordova 2 11:41-12:00 “Solid-state NMR Studies of Hydroxide Induced Weathering of 2:1 layered Aluminosilicate Mineral,” Garry S. Crosson*1, Geoffrey Bowers1, Sunkyung Choi2, Jon D. Chrover2, and Karl T. Mueller1,

2

The Pennsylvania State University, Department of Chemistry, University Park, PA, University of Arizona, Department of Soil, Water and Environmental Science, Tucson, AZ.

Abstract The environmental availability of radionuclides (such as 137Cs and 90Sr) are governed by their interactions with natural soil particles in the saturated and unsaturated zones at Department of Energy waste sites (e.g. the Hanford Site). High surface area aluminosilicate clay minerals are a component of the natural soils beneath leaking waste tanks at these sites, and serve as possible radionuclide sorbents. However, due to the characteristics of the contaminant medium (high pH, high Al, and high ionic strength), clay minerals are susceptible to transformations during exposure to tank waste leachates. To gain a better understanding of fundamental processes taking place in the vadose and saturated soil environments in these affected areas, we are currently studying the transformation of clays under chemical conditions that mimic the composition of waste leachates. In these studies, specimen montmorillonite samples are reacted for varying time periods (up to one year) with simulated tank waste leachate (STWL) solutions containing fixed concentrations of (non-radioactive) Cs and Sr co-contaminants (at levels of 10–3 - 10–5 mol/kg clay). Montmorillonite dissolution and transformation is followed with solution analysis, x-ray diffraction, solid-state nuclear magnetic resonance (NMR), and a number of other analytic methods. We report here results from 27Al magic-angle spinning (MAS) NMR studies. The solid-state NMR spectra of 27Al, obtained under high-field MAS conditions, reveal four resonances from neophases. The use of solid-state NMR at multiple fields allows for superior resolution of resonances from different species. The solid-state NMR results are used to quantify the reaction kinetics.

Engineering and Materials in Biological Chemistry 10:30 - 11:50

Friday, AM

Cordova 3

Session Chair

Dr. Oladapo Bakare, Howard University, Department of Chemistry, Washington, DC Presenters Friday, AM Cordova 3 10:30-10:45 ʺChanges In Metal Ion Interactions Accompany Local And Global Conformational Changes Along The Reaction Trajectory Of The Hepatitis Delta Virus Ribozymeʺ Rebecca A. Tinsley* and Nils G. Walter University of Michigan, Department of Chemistry, Ann Arbor, MI 48109

140


TECHNICAL ABSTRACTS Abstract The HDV ribozyme is an RNA enzyme from the human pathogenic hepatitis delta virus (HDV). Comparison of the precursor and product crystal structures of the cis-cleaving HDV ribozyme show a divalent metal ion bound in the active site that is released upon catalysis due to a conformational switch. This conformational switch repositions the catalytically involved base C75 in the active site cleft, thus controlling catalysis. Crystallography thus confirms our previous data from fluorescence resonance energy transfer (FRET) and 2-aminopurine (2-AP) fluorescence assays on a trans-acting form of the HDV ribozyme that found global and local conformational changes to accompany catalysis. We now have measured the Mg2+ dependence of the global conformational change using time-resolved FRET and have observed significant differences in Mg2+ affinity of the precursor and product forms of the ribozyme. Currently, we are focusing on how certain structural elements further influence metal ion binding, local and global conformational changes and thus catalysis in the HDV ribozyme. In particular, we are examining the helical crossover J1/2 and loop L4, which act to connect the helices and thus tightly interlace its two helical stacks. Structural components such as these are present in cis-acting, but not most trans-acting ribozymes. Eliminating these elements may cause larger dynamics and further expansion of the catalytic core between the helical stacks, a possible explanation of the ~10-fold slower cleavage rates observed in trans-acting ribozymes compared their cis-acting counterparts. We show, using sensitized luminescence spectroscopy, terbium(III) footprinting and UV melting profiles as well as FRET and 2-AP fluoresescence, lifetime, and anisotropy measurements on a set of cis and trans-acting ribozymes, that J1/2 and L4 significantly modulate metal ion affinities as well as the local and global conformational changes in the HDV ribozyme. Our results therefore highlight the important interconnection between metal ions and RNA structure and function.

Friday, AM Cordova 3 10:45-11:00 ʺExpression and Purification of Alzheimer’s Afl42 Peptides from E. Coli Bacteria for Biophysical Studiesʺ Christine A. Henry, Christine Wurth, Woojin Kim, and Michael H. Hecht* Princeton University, Department of Chemistry, Princeton, NJ 08544 Abstract The primary component of amyloid plaques in the brains of Alzheimer’s patients is the 42 residue amyloidß-peptide (Aß-42). Although the amino acid residue sequence of Aß-42 is known, the molecular determinants of Aß- amyloidogenesis have not been elucidated. To facilitate the advancement of biophysical studies conducted by researchers on Aß, we developed a recombinant expression system for Aß-42 peptides by cloning Aß-42 into an expression vector in which the peptide of interest is expressed in E.coli as a fusion protein with Saccharomyces cerevisiae ubiquitin 1,2. Our method is a straightforward and convenient way to express and purify soluble variants of Aß-42, with only 3 purification steps - 2 Nickel agarose affinity columns and one polishing reversed phase HPLC run which is necessary to obtain highly pure and stable 42 residue Aß- peptides. Initial application of this system for the expression of a soluble Aß-42 variant, Aß-42F19S, L34P (“GM6”), and wild type Aß-42 enabled us to isolate pure peptide from both the soluble fraction and insoluble fractions ʺinclusion bodiesʺ. The purity of our peptide was verified by Mass Spectrometry and NMR studies.

141


TECHNICAL ABSTRACTS Friday, AM Cordova 3 11:00-11:15 ʺConformational Changes In The U1A Protein Upon Binding RNAʺ Michael E. Agumeh, Joseph L. Knee, Anne M. Baranger* Wesleyan University, Chemistry Department, Middletown, CT, 06459 Abstract The U1A protein is a component of the U1 small nuclear ribonucleo particle (snRNP) complex. The Nterminal RNA recognition motif (RRM) of U1A has been shown to bind the stem loop 2 region of the U1snRNA. The U1A-stem loop 2 complex is a well-characterized model system for the exploration of interactions that stabilize RRM: RNA complexes. The RRM is one of the most common RNA-binding domains and is involved in many essential processes involving RNA, one of which is the splicing of pre mRNA. The N-terminal RRM folds in a βαββαβ structure and sometimes a helix C is attached to the C terminus of this structure and contributes to binding. U1A undergoes a conformational change upon binding RNA. In the free U1A protein, helix C lies on the β sheet interacting with β strand 3. However, upon binding with RNA, helix C moves up and away from the β sheet in order for the RNA to bind to the β sheet. We are studying the dynamics of this movement of helix C in the U1A protein using steady state and time resolved fluorescence anisotropy. Because UA has no fluorescent amino acids, tryptophan has been substituted for alanine, lysine and glycine at positions 95, 98, and 99, respectively. The results of fluorescence anisotropy experiments with these mutant proteins and peptide models of helix C will be presented. In addition, work is in progress to create U1A proteins in which residues on the surface of the -sheet that contact helix C in the free protein are mutated. The dynamics of the wild type and mutant proteins will be compared.

Friday, AM

Cordova 3 11:15-11:30 ʺEnzyme Catalysis-SARS Protease Reaction Mechanismʺ Jelani K. Griffin1, Ben Mayer*, Jiali Gao*, and Kin-Yiu Wong*

University of Minnesota, Army High Performance Center, Minneapolis, MN 55401 1 Jackson State University, Jackson, MS 39217 Abstract Secure acute respiratory syndrome (SARS) is a respiratory illness that has a fatality rate of about 15%. The poly proteins synthesized by the host (infected) cell are cleaved by the SARS virus main protease (Mpro). The function of this protease, Mpro is critical to the life cycle of the SARS virus, and it is an attractive target for developing drugs. An understanding of the binding interactions of the polyprotein substrate and the SARS protease is important. SARS main protease in a mimeric enzyme, each subunit consisting of 306 amino acid residues arranged in three domains. Through computational calculations it was shown that the polarization effect makes large contributions to the total interaction energies between the substrate and protein in the active site of the SARS main protease. Visualization techniques helped to understand the dynamic trajectory and reaction mechanism of enzyme reactions.

142


POSTER ABSTRACTS Exhibitor Mixer/Poster Session 5:00 - 6:30

Tuesday, PM 1

Mediterranean 1 & 2

ĘşMicrowave Synthesis Of Heptamethine Cyanine DyeĘş Ashley Kennedy* and Dr. Angela Winstead Morgan State University, Department of Chemistry, Baltimore, MD, 21251

Abstract The heptamethine cyanine dye 1 synthesized in the lab can be classified as a Fluorescence Resonance Energy Transfer (FRET) biological sensor. Fluorescence Resonance Energy Transfer (FRET) biological sensors are based on new donor acceptor pairs of flurophores and luminophores. The dyes are important because they are fluorescent dyes that can be used in DNA sequencing, laser tags, and immunoassays. Commercially available near-infrared heptamethine cyanine fluorescent laser dyes exhibit characteristics of a FRET biological sensor. An important area of the FRET biological sensors is the availability of the dye. Heptamethine cyanine is expensive at $35 per gram as a result synthesis of symmetric chloro dyes has been completed in the lab. The literature method to synthesize the dye used a synthesized quarternary salt, and an unsaturated bisaldehyde subjected to reflux conditions in a mixture of 1-butanol and benzene as solvent. H3CO

Me2 C

Cl2 +

N I+ CH2CH3 Quarternary Salt

Cl OH

O

N R

N R 1

Bisaldehyde

The synthesis of the dye precursors was studied. The salt precursor was successfully synthesized without acetonitrile under microwave irradiation for 4 min instead of the 15 h time span (90% yield). The unsaturated bisaldehyde was synthesized according to the literature. Currently the synthesis of dye 1 from the precursors takes 3 to 15 h with a tedious purification process. Dye 1 was effectively synthesized in the conventional microwave with a reaction time of 90 sec using half the amount of solvent (80% yield). Current studies are now geared toward transferring the synthesis of dye 1 from the conventional microwave to the Explorer Microwave System, which allows parameters such as temperature, pressure and time to be controlled by the investigator. Dye 1 has successfully been synthesized in multi-gram quantities at a fraction of the cost at approximately $3 per gram. In addition this method has been greatly enhanced with a significant decrease in reaction time and diminished use of hazardous solvent systems. Investigation of novel pyridine based dyes is also currently under study.

144


POSTER ABSTRACTS 2

ʺA Spectroscopic Study Of Uv And Electroyte Effects On Α-Crystallin Configurationʺ Artrease L. Spann*, Lisa B. Hibbard Department of Chemistry,Spelman College, Atlanta, Georgia 30314

Abstract The primary protein component in the ocular lens, α-crystallin, is known to play a major role in maintaining lens transparency. Recent studies have shown that α-crystallin prevents the aggregation of other lens proteins by acting as a molecular chaperone. Although the mechanism of chaperone-like behavior is unknown, there is evidence that α-crystallin acts by exposing its hydrophobic regions to interact with damaged proteins. It is, therefore, of interest to study the configuration of α-crystallin under various stress conditions. This study was undertaken to determine the effect of 295nm radiation on the configuration of buffered α-crystallin samples in the presence of varying NaCl concentration (0.5M – 1.0M) at temperatures ranging from 35 - 65oC. Tryptophan residue fluorescence was monitored to determine the extent of photolysis. ANS-binding studies and acrylamide fluorescence quenching studies yielded information regarding changes in protein configuration. Circular dichroism monitored changes in protein secondary structure. It was found that UV-induced Trp photolysis decreased as the NaCl concentration increased. ANS-binding studies showed an alteration in the α-crystallin structure so that interior hydrophobic regions of the protein were more exposed as the salt concentration increased. CD spectra showed a greater change in the secondary structure of the protein as the temperature increased.

3

ʺSpectroscopic Characterization of Water-Soluble Iron-Porphyrinsʺ Marguerite Matthews, Natarajan Ravi, Ph.D., and Albert N. Thompson, Jr., Ph.D. Spelman College, Department of Chemistry, Atlanta, GA 30314

ABSTRACT The unique structure of porphyrins makes them essential components in various biological systems that rely on reduction-oxidation and electron-transfer reactions to produce chemical energy. We are currently investigating two water-soluble iron porphyrins. The two porphyrins that will be examined are Iron (III)-tetrakis(N-methyl-4-pyridyl)porphyrin (1) and Iron (III)-tetrakis(4-sulfonatophenyl)porphyrin (2). The UV-visible spectral data of these compounds indicate a π- π * soret transition at 423nm and 395 nm for porphyrins 1 and 2, respectively. In addition, the α- and β- bands are observed in the visible region between approximately 600nm and 630nm for porphyrin 1 and between approximately 530nm and 580nm for porphyrin 2. The properties and behavior of water-soluble, iron-porphyrins can be studied using 57Fe Mössbauer spectroscopy. Mössbauer spectroscopy will provide information pertaining to different environments an iron atom occupies in a solid material and other interactions.

145


POSTER ABSTRACTS 4

ʺInvestigation of Tanzanian Hugonia busseana As An Antidiabetic Agentʺ Bettina Applewhite1, Isai Urasa1, Cosam Joseph2, and M.J. Moshi*3 Hampton University, Department of Chemistry, Hampton, VA 23668 University of Dar es Salaam, Department of Chemistry, Dar es Salaam, Tanzania 3Institute of Traditional Medicine, Muhimbili College of Health Sciences, Dar es Salaam, Tanzania 1

2

Abstract It is estimated that Tanzania’s rain forests have more than 10,000 vascular plant species. Among them, more than 1,200 are endemic and have not undergone extensive scientific study for their pharmacological and chemical constituents. The large variety of tropical flora in Tanzania has been ascribed to the diversity of the topography of the country’s geological surface, with altitudes ranging from 6000 meters to sea level. It is estimated that the montane flora has more than 2000 species of vascular plants, many of which are believed to be found nowhere else in the world and are believed to have medicinal agents that can be used to cure diseases such as malaria, HIV/AIDS, hypertension, and diabetes. Traditional healers routinely use many of these materials. The aim of the research presented in this paper was to investigate Hugonia busseana, which is a member of the Linaceae family, for its antidiabitic activity. Some Hugonia species are known to have antidiabetic activity. The research involved extraction, isolation, and characterization of compounds from different parts of the plant and testing those compounds for their effects on blood glucose in mice. Compound extraction and isolation utilized column chromatography, thin layer chromatography, and vacuum chromatography. NMR and other spectroscopic techniques were used in compound characterization. Bioactivity was tested by employing the Brine Shrimp Lethality Test following guidelines and protocols that have been established by the Muhimbili University College of Health Sciences. Two of the four tests that were performed showed a substantial amount of cytotoxic activity. However, this activity does not come from anti-diabetic properties as was found out after performing an Oral Glucose Tolerance Test (OGTT) on the mice. The Hugonia busseana extract was tested against chlropropamide, a standard diabetic medicine used to lower blood glucose levels. The extract did not lower the blood glucose in the albino mice used in the test. Even though it is preliminary, this study tends to cast doubt as to the antidiabetic activity of this particular Hugonia species.

5

ʺTheoretical Design Of Organic Electron-Donor Polymer For Solar Cell Applicationʺ Brandy Langston1 and Suely M. Black*1,2 Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA, 23504

Abstract In the ever-changing world of scientific research, the conservation of natural resources has been a lingering concern. An alternative is the harvesting of solar energy through the use of polymer-based photovoltaics. Several outstanding factors favor the application of organic polymers over currently used inorganic materials in the construction of solar cells. Photovoltaic devices present two layers of materials, the hole-acceptor, which is excited by the sun light, and the electron-acceptor. Among several structural features which determine the suitability of electron-acceptor polymers are the energies of the boundary valence and excited orbitals, and the band gap they produce. High-level molecular modeling provides accurate and efficient means to probe potential acceptor polymers for their orbitals distribution. 146


POSTER ABSTRACTS This study concentrates on the oligomers (up to three repeat units) of a suitable electron-acceptor component of an organic donor-acceptor pair for the generation of electrical current in solar cells. The SFPPV-I monomer is the electron withdrawing alkyl-sulfone derivatized phenylenevinylene. This acceptor has been prepared and characterized in the Center for Materials Research, and our theoretical values are compared to the experimentally determined band gap. The calculations involved using the density Functional Theory (DFT), with the B3LYP hybrid function, and gaussian basis sets, 3-21g* and 6-31g* to obtain the optimized geometric conformation and orbital energies for the systems under investigation. The band gaps of the given oligomers are obtained from the HOMO-LUMO energy differences of geometrically optimized molecules, which are then extrapolated to yield the polymer’s value. The band gaps are also calculated at the semi-empirical ZINDO level, which is parametrized to yield accurate excitation energies of organic molecules, and the extrapolated value is also obtained. The DFT result agrees well with the experiment, while ZINDO produced too large value.

6

ʺPatterning of DNA Microarrays on UV Photo-Activated PMMA for the Detection of Low Abundant Point Mutations in K-ras Genesʺ Catherine Situma, Mateusz Hupert and Steven A. Soper Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803

Abstract We will describe a simple UV-photomodification protocol of poly (methyl methacrylate) (PMMA) to produce functional scaffolds consisting of carboxylic groups that allow covalent attachment of amineterminated oligonucleotide probes to these surfaces through carbodiimide coupling. The method reported herein involves the use of polydimethylsiloxane (PDMS) microchannels reversibly sealed to the photofunctionalized PMMA surfaces to serve as substrates for patterning the oligonucleotide probes. After array construction, the PDMS is rotated 90o to allow interrogation of the array using microfluidics. We will demonstrate the use of this procedure for screening multiple K-ras mutations possessing high diagnostic value for colorectal cancers.

7

ʺStrong Cationic Exchange Resins Used In The Determination Of Atrazine And Selected Respective Metabolitesʺ Department of Chemistry, Western Kentucky University Bowling Green, KY 42101

Abstract Strong cationic exchange resins used in the determination of atrazine and selected respective metabolites Determination of atrazine and three respective metabolites, deisopropylatrazine, deethylatrazine and didealkylatrazine, in aqueous samples by high performance liquid chromatography using various solid phase extraction preconcentration schemes is presented. Commercial C18 sorbent is widely used in SPE as a preconcentration step for atrazine however incomplete recovery of atrazine’s metabolites is a concern. Strong cation exchange resins may have greater extraction capabilities by exploiting specific interactions such as hydrogen bonding and pi-pi interactions. Strong cation exchange resins investigated include SCX-2, Relite EXC04, Diaion PK228, Dowex 50WX2-400, Dowex 50WX4-400, and Dowex 50WX8-400. Breakthrough investigations comparing a commercial C18 sorbent to the cationic exchange resins will be presented along with applications of real samples.

147


POSTER ABSTRACTS 8

ʺThe Key to Unlock The Navier-Stokes Equationʺ Cheri’ West and Dave Retzloff*1 Prairie View A&M University, Chemical Engineering, Beaumont, TX

ABSTRACT What causes the waves to break, as they get closer to the shore? Can the strain on the heart to pump blood throughout our bodies be decreased if vortices were eliminated? When galaxies are formed what causes the spiral effect? All these questions can be answered by understanding the Navier-Stokes Equation. This equation holds many secrets about fluid dynamics that mankind needs unlocked. The Navier- Stokes Equation was first written down in the 19th century by a French bridge builder, Claude-Louis Navier, and a mathematician, George Stokes. The equation was written down without a complete understanding of the concepts of shear stress and internal friction that exist in a fluid. Navier based is work on modifications to the Euler equations to take into account forces between the molecules in the fluid. These fluid equations have proved to be challenging to understand even today. For example, it is still not known if a solution to these equations exists for all time. Currently there is a $1 Million prize for the individual that can establish this fact. The numerical solution method that was chosen was the Crank-Nicholson (Implicit) Scheme. In two dimensions it turns out to be easier to work with the stream functions, ψ(j, k), rather than velocities, v. A grid was set up with periodic boundaries for two dimension flow to solve for ψ. Finite differences were taken and then implemented in matrix form Ax = b, with A and b known, to solve for x. The LU-decomposition along with partial pivoting was the algorithm chosen to solve for x. We tested the program with a simplified example to check the validity of the code. Using the calculated ψ values from the Ax = b program (where x = ψ), Ω can now be found by using the ψ values that were calculated previously to determine C and then solving the equation BΩ = -BC. Computer programming was an intricate part of solving for ψ and the Ω values. After finding all the necessary ψ values, the velocities can be found by taking the derivative of ψ with respect to x and y. By creating an ideal situation for two dimension fluid flow, an understanding of how vortexes begin to form has turned the key a little more in our goal to unlock the secrets of the Navier-Stokes Equation. 1

Funded by Louis Stokes Missouri Alliance for Minority Participation Program

9

ʺSouthern University at New Orleans Program of Excellence in Science, Mathematics and Computer Technology (PESMaCT)ʺ Carl P. Johnson,* Joe Omojola and Henry L. Hardy Southern University, PESMaCT, New Orleans, LA 70126

Abstract Studies have confirmed that the shortage of manpower in the science and technical workforce is particularly acute within the underrepresented minority population. Compared to the 28% representation in the population as a whole, minorities make up only 14.5% of the present enrollment in graduate science and engineering programs, and a minuscule of 6% of the science and technical work force. Consequently, there is a significant untapped minority resource for building the nation’s scientific and technical workforce. The origin of this problem can be traced to inadequacies in science education in grade schools, shortcomings in present instructional methods, which lack emphasis on hands-on training, and ineffective or non-existent collaborative efforts between local universities and school systems. Southern University at New Orleans 148


POSTER ABSTRACTS (SUNO) proposed a solution to this problem through a NSF funded grant entitled: “Program for Excellence in Science, Mathematics, and Computer Technology (PESMaCT)”. The goals of the project include increasing the flow of minorities from high schools and junior colleges to science, mathematics, and computer technology (SMaCT) fields, (2) improve retention of minorities in SMaCT, and (3) improve the quality of graduating SMaCT majors. PESMaCT is designed to improve the educational experience of minority students in science, mathematics, and computer technology from high school through college. One of the important catalysts for the project is collaboration between SUNO and the New Orleans Public Schools (NOPS) which supplies about 74% of SUNO’s student population. NOPS District serves about 84,000 urban students with 85% being African Americans. Compared to the rest of the State with 59.2 % poverty level, 88% of NOPS students come from families with incomes below the federal poverty level. Implementation of PESMaCT in high schools will motivate students to pursue degrees in careers of SMaCT fields. As a result, this will lead to an increase in the number of graduates, and serve as a crucial pipeline in increasing the number of underrepresented minorities receiving graduate degrees and working in SMaCT fields.

10

ʺNutritional Supplement Chromium Picolinate Generates Chromosomal Aberrationsʺ Dontarie M. Stallings*, Dion D. D. Hepburn, John B. Vincent, and Janis O’Donnell The University of Alabama, Departments of Chemistry and Biological Sciences and Coalition for Biomolecular Products, Tuscaloosa, AL 35487

Abstract Chromium picolinate, [Cr(pic)3], is a popular nutritional supplement found in an variety of consumer products. Despite its popularity, safety concerns over its use have arisen. The supplement has been shown to generate clastogenic damage, mitochondrial damage, oxidative damage, and mutagenic effects in cultured cells and oxidative DNA damage and lipid peroxidation in rats. Recently [Cr(pic)3] has been demonstrated to generate heritable genetic change and delays in progeny development in Drosophila melanogaster. Based on the damage to chromosomes of cultured cells and of animal models, similar chromosome damage appeared to be a likely source of the mutagenic effects of the supplement in Drosophila. Herein, the chromosomes in the salivary glands of Drosophila late in the third instar larval stage, which were the progency which were the progeny of Drosophila whose diets were supplemented with nutritional levels of [Cr(pic)3], are shown to contain on average over one chromosomal aberration per two identifiable chromosomal arms. No aberrations were observed in chromosomes of progeny of untreated flies. The results suggest that human consumption of the supplement should be a matter of concern and continued investigation.

149


POSTER ABSTRACTS 11

ʺEffects Of Chromium Nutritional Suppliments And Their Components On Longevity And Progeny Development In Drosophila Melanogasterʺ Dontarie M. Stallings*, Meredith Hannah, Janis O’Donnell, and John B. Vincent Departments of Chemistry and Biological Sciences and Coalition for Biomolecular Products, The University of Alabama, Tuscaloosa, AL 35487

Abstract Chromium picolinate, [Cr(pic)3], is the most popular chromium(III)-containing nutritional supplement and the second most popular mineral supplement after calcium sources. Recent studies from this laboratory have shown that [Cr(pic)3] is able at levels equivalent to human supplementation to generate heritable genetic change, dominant female sterility, and delays in progeny development in Drosophila melanogaster. The current two-part study examines the effects of several chromium-containing supplements and their components on hatching and eclosion rates and success of development of first generation progeny of adult Drosophila fed food containing these compounds. It further examines the effects of the compounds on longevity of virgin male and female adults. The studies provide insight into the requirements of chromiumcontaining supplements to give rise to genotoxic effects.

12

ʺVortex Tube Separationʺ Edgar S. Whitby III*, Dr. Reginald Parker1

Florida A&M-Florida, Chemical Engineering, 1Industrial and Manufacturing Engineering, Materials and Environmental Technologies Assessment Laboratory, Tallahassee, Fl 32310 Abstract The Ranque-Hilsch vortex tube is capable of separating an inlet stream of compressed gas into two streams. The exiting streams from the tube consist of a differentially hot and cold stream using no moving parts. The exiting streams temperatures can differ from the inlet temperature by 100 ˚F or more. These tubes have been shown to separate miscible binary gas mixtures into its two enriched streams; i.e. air into two enriched streams of nitrogen and oxygen. The vortex cyclonic motion sends the lighter molecules to the outside while the heavier molecules are compressed in the center. This action causes a temperature differential inside the vortex from center to edge; these temperatures can be up to and exceed 100 ˚F. The heavier molecule exits the vortex tube as the cold stream and the lighter as hot stream. The vortex tube has been used in industry for over 30 years as spot cooler. In this research, the phenomena will be used in combustion engines. By utilizing normal compressed atmospheric air through the vortex tube, the cooled Oxygen enriched stream can be used to improve engine efficiency and abate pollution. The heated Nitrogen enriched stream will be used to further abate pollution via dilution.

150


POSTER ABSTRACTS 13

ʺAlkaloid Analysis of Red Bull As A Stimulantʺ Evelyn A. Wolfe, Ph.D.*, Belinda Thomas , Tricia Edmund St. Francis College, Chemistry & Physics Department, Brooklyn Heights, New York 11201

Abstract HPLC and GC-MS were used to investigate the energy drink, Red Bull which claims to improve performance, increase concentration, improve reaction time and stimulate the metabolism. This energy drink controls roughly fifty percent of the $1 billion energy drink market, and is widely used by college students for its amphetamine-like effect, and by athletes for the buzz it gives them while exercising. Caffeine, theobromine, and theophylline were the alkaloids studied. Their retention times were measured, and a linear calibration model was created based on the chromatographic peak heights produced by a series of alkaloid standard solutions. The calibration model was then employed as a reliable determination of alkaloid mixtures. After comparing the caffeine content of other energy drinks, chocolate, cola drinks, tea and coffee, it is clear that Red Bull gives its “kick” with caffeine.

14

ʺDetermining Salt Effects On DNA Oligonucleotides By Measuring Preferential Interaction Parameterʺ Erica R. Bush* and Alison Williams Princeton University, Department of Chemistry, Princeton, NJ 08544

Abstract The purpose of our research is to study salt effects on DNA behavior. We seek to determine the preferential interaction parameter (PIP), a parameter which describes the effective charge of DNA, for various oligonucleotide sequences. Equilibrium dialysis, UV spectroscopy, and capillary electrophoresis were implemented in 1.0 mM Na+ solutions in order to evaluate chloride concentrations as a function of varying amounts of DNA phosphate. Presently, we have measured PIP values for several oligonucleotide lengths, including 14, 34, and 160 base-pair single stranded and duplex sequences. Results show that as the oligonucleotide length increases, the value of the PIP increases as well; this observation is consistent with predictions based on counterion condensation theory. Results will also be given for 20 and 28 base-pair sequences, and for various salt concentrations.

15

ʺEvaluation of Micelle Formation of Biodegradable PEO-PLA star Copolymer in Aqueous Solutionʺ LaTisha E. Salaam and Terry L. Bray

Department of Biomedical Engineering, University of Alabama at Birmingham, Birmingham, AL 35294 Abstract Current drug delivery vectors for sustained release include both naturally occurring and artificially synthesized polymers. Among artificially synthesized polymers several linear copolymer systems have been explored for use as drug delivery vectors. These copolymer systems have hydrophobic and hydrophilic

151


POSTER ABSTRACTS polymer portions that promote micelle and microsphere formation, which can envelop a drug construct. The Polyethylene glycol/Polyethylene oxide (PEG/PEO) based drug delivery vector, specifically the Polyethylene glycol/Polyethylene oxide Polylactide (PEG/PEO-PLA) copolymer system, is of particular interest because of its biocompatibility and biodegradability. Release of the pharmaceutical agent is affected by the degradation characteristics of the polymer and/or by swelling of the polymer. The overall goal of this study is to obtain and evaluate an unstudied branched PEO-PLA based polyether ester as a drug delivery vector. This polyether ester may present enhanced physical properties suitable for drug delivery due to hydrophobic branches that may aggregate in aqueous and biological systems to form nano-particles known as micelles. This study investigates and characterizes the micelle aggregation state of three star biodegradable copolymers of PEO-PLA with differing PLA chain lengths. It was observed that 1) solubility decreased with increasing PLA chain length, 2) there was molecular association to form micelles, and 3) the critical micelle concentration was lower for the star system than for previously reported systems. Additionally, the samples studied exhibited significant polydispersity in the size distribution of the micelles formed as observed by transmission electron micrographs and variation from batch to batch in quantifying the second virial coefficient. Similar observations of polydispersity have been made for studies of linear PEO-PLA triblock copolymer systems. Key Words: Star Co-polymer, biodegradable, micelle, nano-particle, drug delivery

16

Electronic Properties of 3d- Block Transition Metals: A DFT Study Gordon Taylor, Ainsley Gibson, and John Harkless Howard University, Department of Chemistry, Washington, DC 200059

ABSTRACT Density functional theory (DFT) is commonly used in computational chemistry because of its ability to perform calculations on fairly large systems in less time than traditional ab initio techniques. The energy and its components are written as functionals of the density. The accuracy of the method depends on the accuracy of approximate functionals, as the exact form is not known. Various DFT functionals were used including: BLYP, B1LYP, B3LYP, PW91, SVN. The functionals were then grouped into types of DFT (for example, exchange and gradient corrected, X-alpha, LDA) and the results compared with experimental electron affinities (EA) and ionization potentials (IP). The values of the IP are from the National Institute of Standards and Technology (NIST); the EA values are compared to various experimental data.

17

ʺSynthesis And Characterization Of Salicylidene Derivatives Chemosensorsʺ Gilbert Maina Wairia*, Dr Yousef Hijji Chemistry Department, Morgan State University, Baltimore, MD, 21251.

Abstract Novel receptors based on salicylidene, hydroxyl and/or furan moieties as anion binding site were synthesized efficiently with yields of 80-90 %.The compounds were synthesized in such a way that the anion binding moieties are situated in proximity that allow hydrogen bonding and interactions with the guest anions. A substantially red-shifted fluorescence and absorption of receptors in acetonitrile was enhanced upon addition of fluoride ions. The receptors showed low affinity for acetate and dihydrogen phosphate and non for chloride and bromide ions. This confirms that the selectivity trend to be dependent upon anion basicity and the conformational complementarity’s between receptors and the guest ions.

152


POSTER ABSTRACTS X-

O-

-

H+

O

N R' R

Efficient synthesis of such anion binding moieties that mimic biological receptors together with appropriate signaling subunits enable the development of highly selective receptors of biological and environmental importance. The high sensitivity and selectivity of receptors for fluoride ion is of particular interest due to its role in dental care and treatment of osteoporosis.

18

ʺPreparation of ‘Green’ Ionic Liquids and Evaluate The Enzyme Stability in Ionic Liquidsʺ

LaDena A. Holley, Terra E. Person, Rasheed A. Lawal, Artez L. Sims, Olarongbe Olubajo and Hua Zhao* Savannah State University, Chemistry Program, Department of Natural Sciences and Mathematics, Savannah, GA 31404 Abstract Ionic liquids (ILs) are a group of new compounds consisting of organic cations and inorganic or organic anions. The commonly used cations are alkylammonium, alkyphosphonium, N, N’-dialkylimidazolium and N-alkypyridinium. The commonly used anions include BF4-, PF6-, CF3COO-, etc. Many of them are liquids at room temperature. ILs possess immeasurable vapor pressure unlike most VOCs, therefore, they are environmentally benign. For this reason, they are called ‘green’ solvents. A key feature of ILs is that their physical properties can be finely tuned by adjusting types of cations, anions and substituents. These physical properties include polarity, melting-point, density, viscosity, miscibility, solvation ability, and more. Due to these attractive properties, ILs have recently been investigated as reaction media, co-catalysts in many organic and organometallic syntheses, including Diels-Alder reactions, Heck reactions, Friedel-Crafts reactions, alkylation, hydrogenation, hydroformylation, oxidation, dimerization of butadiene, benzoin condensation, acylative cleavage of cyclic and acyclic ethers, and polymerization of methyl methacylate. Ionic liquids do not inactivate enzymes like polar organic solvents. A recent study also concluded that lipases exhibit greater stability in ionic liquids than in organic solvents including hexane. These advantages allow greater solubility of polar substrates, faster reactions and higher selectivity for enzymatic systems. In this study, we use the metathesis method to prepare novel ‘green solvents ILs. To examine the enzyme stability in ILs, we use activity assays to continuously monitor the remaining activity after the enzyme dissolves in IL aqueous solutions. The reaction is periodically analyzed by HPLC. The stability and activity of enzymes in ILs are compared with those in organic solvents. This outcome of study will evaluate the potential of carrying out enzymatic reactions in IL solutions.

153


POSTER ABSTRACTS 19

ʺThe Influence Of Physical Properties On The Temperature Difference Between Immiscible Liquids During Microwave Heatingʺ Havilah C. Gates*, and Dr. Alvin P. Kennedy Morgan State University, Chemistry Department, Baltimore, MD 21251

Abstract Previous studies have shown that a temperature difference results when an immiscible mixture containing a nonpolar and polar solvent is microwave heated. The purpose of this study was to determine the effect of the normal boiling point, density, and viscosity of the nonpolar solvent on the temperature difference. The mixtures studied were water/fluorocarbon 40, water/fluorocarbon 72, water/carbon tetrachloride, water/cyclohexane, and water/hexane. The mixtures were heated for twenty minutes using a CEM MDS 2000 Sample Preparation Microwave system and a CEM Discover Microwave System. A comparison of the data from both instruments showed that a correlation between the temperature difference and normal boiling point does not exist. It was observed that the mixture containing the densest nonpolar solvent had the smallest temperature difference when conduction occurs. When convection and conduction occur simultaneously, the mixture with the most viscous and most dense nonpolar solvent has the higher temperature difference. It can be concluded that density and viscosity strongly influence the temperature of an immiscible polar and nonpolar mixture during microwave heating. (Supported by: 2R25 GM058904)

20

ʺSynthesis Of Imidazolium Salts For Use In High Temperature Nanocompositesʺ J. Langat, A. Hudrlik, P. Hudrlik and D. Raghavan Department of Chemistry, Howard University, Washington, DC, 20059.

ABSTRACT Considerable research has been conducted in improving the performance characteristics of nanocomposites, relatively few attempts have been made to address the thermal stability of cation exchanged layered silicate during curing/processing and the subsequent impact on performance of nanocomposite. An attempt is being made to improve the thermal properties of the nanocomposite with imidazolium salts. This study describes the synthesis of imidazolium salts from 2-methylimidazole, 1bromohexadecane and chloroalcohols. 2-Methylimidazole was treated under nitrogen with sodium hydride followed by bromohexadecane to form 1-hexadecyl-2-methylimidazole. Subsequently, this product was reacted with chloroalcohols in anhydrous acetonitrile to obtain the desired products. 1H NMR and matrix assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOFMS) were used to characterize the products. Acknowledgements: AFOSR and NSF.

154


POSTER ABSTRACTS 21

ʺReactivity Studies of o-Benzynes Toward Nucleic Acid Components Using The Distonic Ion Approach and FT-ICRʺ Karinna Campbell*, John J. Nash and Hilkka I. Kenttämaa Purdue University, Department of Chemistry, West Lafayette, IN 47907

Abstract σ,σ-Biradicals have been discovered to be the biologically reactive intermediates of the enediyne antitumor drugs responsible for DNA cleavage in cancer cells. Understanding the parameters that control the reactivity of these biradicals is likely to lead to the synthesis of better nonhydrolytic DNA cleaving drugs. The magnitude of the singlet-triplet (S-T) gap of a biradical, which is defined as the energy difference between the lowest-energy singlet and triplet states, depends on the extent of the interaction between the radical orbitals. A large S-T gap is indicative of strong coupling between the radical centers. The orthobenzyne has a large S-T gap (-37.5 kcal/mol) and is best thought of as an activated alkyne rather than a biradical. This is evident in the reactivity observed for o-benzyne – nucleophilic or electrophlilic addition reactions (e.g. Diels-Alder reactions). Though the o-benzyne is the most widely studied of the three simplest aryne isomers, its reactivity toward DNA components has not been explored. We employ the distonic ion approach to study the intrinsic reactivity of biradicals by using mass spectrometry. We report here a kinetic reactivity study on three charged o-benzynes, 3,4-didehydroisoquinolinium, 5,6-didehydroisoquinolinium and 7,8-didehydroisoquinolinium ions, and comparison of the results to those obtained for other isomeric biradicals. Quinoline and isoquinoline biradical precursors were synthesized according to reported methods and their structures verified by mass spectrometry and nuclear magnetic resonance spectroscopy. The charged didehydroarenes were generated in a 3-T dual cell Finnigan Model FTMS 2001 Fourier-transform ion cyclotron resonance mass spectrometer by dissociation, ion molecule reactions and isolated. Their ionic reaction products and reaction efficiencies were determined for reactions with various DNA components. Exclusive hydrogen atom abstraction was observed for phenyl monoradicals. However, no such reactivity was observed for the 5,6-didehydroisoquinolinium ion. This o-benzyne was found to yield addition/elimination products when reacted with d-ribose.

22

ʺStudies of Violet Dye Production by Marine Fungus from Tanzaniaʺ Kia Walcott Abstract

The objective of this experiment was to manipulate the Anthraquinone biosynthesis in marine fungi to produce a cheap and environmentally friendly source of Anthraquinone dye intermediates. The fungus in this study was isolated from the marine sediments of the Dar es Salaam Coast and grown on two microbial media: Malt extract agar /broth and Aquatic Yeast agar/broth. A series of media variations were made to optimized dye production and fungal growth. The pH of each flask was varied, 2 flasks per pH level (3.5, 4.5, 5.5, 6.5). For the media variations, three different types of media were employed: Malt Extract Broth, Aquatic Yeast Broth, and Czapeck Broth. Carbohydrate variation within the media was performed using Aquatic Yeast broth. Instead 1% of a given sugar, the sugar concentration was increased to 2% and in addition to Glucose, 2% Fructose, Inulin, Starch, and Lactose were substituted. A time course of dye production was taken using a spectrophotometer to test the absorbency the pH 6.5 media and its contents at

155


POSTER ABSTRACTS a wavelength of 405nm. Thin layer chromatography was also performed on the media and contents using various solvents to induce the best Rf values (e.g. Ethyl Acetate, Methanol, Petroleum Ether, and Acetone). Each strip was tested for its UV response at wavelengths of 254nm and 365nm. At the conclusion of these variations, it was found that pH 6.5 promoted the most dye production. Of the three liquid media used, the Aquatic yeast broth and Malt Extract Broth were the most conducive to fungus growth. The Fructose containing media produced the most growth and dye coloring as shown by the average absorbance reading. It was also determined that the fungus in this study continually produced dye until a period of eight weeks passed. After that time period the fungus ceased dye production as shown by the decrease in the absorbance reading. During thin layer chromatography, two compounds from the unknown sample moved with the solvent indicating the presence of other compounds in the extracted unknown sample. In addition, both the unknown compounds as well as the known Anthraquinone sample fluoresced under 365nm UV light which supports the presence of Anthraquinone in the unknown sample.

23

ʺEvaluation Of The Fate Of RDX In Soils And Plants:ʺ ʺEvaluation Of The Fate Of Rdx In Soils And Plants: " Lovell Agwaramgbo1*, Steve Larson2, Victor Medina2 and, Lynn Escalon2 Dillard University; Department of Chemistry; New Orleans, La 70122 U.S. Army Corps of Engineers, Waterways Experiment Station, Environmental Chemistry Branch, Vicksburg, MS.

1 2

Abstract A number of remedial technologies have been developed for the remediation of soils and water contaminated with explosives. However, use of some of these technologies in remediating explosives has met with mixed success because of prohibitive costs, unknown fate of the pollutants and their degradation products, and the availability of the pollutants for remediation. Understanding the fate of explosives in the environment, especially their uptake, transport, sequestration, transformation, and release by plants and other organisms will advance the search, identification, and development of effective strategies for remediation and decontamination technology. Since limited little research has been reported on the fate of hexahydro-1,3,5-trinitro-1,3,5-triazine, RDX in soil, this research project investigated the fate of RDX in buried RDX contaminated plant in two soils and examined the uptake, accumulation, translocation, possible transformation, and release of RDX by three plants. The results suggest that the buried RDX was removed or degraded with no identifiable degradation or transformation products while the plants up took and concentrated a large amount of RDX with very little release of RDX and no observable transformation and degradation products were observed after uptake. These findings suggest that accumulated RDX in plants will -ultimately be degraded as the plant ultimately dies and decays. The contaminated plants die and decompose. Acknowledgements: This work was support by the Engineer Waterways Experimental Station (Steven Larson) under the auspices of the U.S. Army Research Office Scientific Services Program administered by Battelle (Delivery Order No. 276, Contract No. DAAD19-02-D-0001

156


POSTER ABSTRACTS 24

ʺSynthesis And Study Of A Naphthacenedione (TQ) Derivative To Study The Effect Of Minor Groove Binders On Charge Migration Though DNAʺ Lezah W. Roberts and Gary B. Schuster* Georgia Institute of Technology, Department of Chemistry and Biochemistry, Atlanta, GA 30332

Abstract Long-range charge migration through DNA has been extensively studied to determine the mechanism of charge migration and oxidative damage of DNA as well as its potential in molecular devices. Photoactivated sensitizers, covalently linked to the 5′ terminus of a DNA strand, are used to inject a charge into the DNA to study charge propagation. When the charge reaches a site of low oxidation potential the charge becomes trapped and treatment with hot base causes strand cleavage. Over the years research in this area has lead to the synthesis of molecules that can be irradiated at wavelengths where DNA is transparent without crossing over too much into the visible range. In this report, a 5,12-naphthacenedione (TQ) derivative has been synthesized and characterized and determined to be an appropriate sensitizer for electron transfer experiments requiring excitation at wavelengths between 400 – 450 nm. This compound was then used in experiments to determine the effect of minor groove binders on charge propagation through DNA duplexes.

25

ʺTransient And Dynamic Viscoelastic Behavior Of Polyproylene/Layered Silicate Nanocompositesʺ Mohamed Abdalla, Moncy Jose, Keith Green, Derrick Dean*, and Graig Williams1 University of Alabama at Birmingham, Department of Materials Science and Engineering, Birmingham, AL 35294, 1Tuskegee University, Department of Mechanical Engineering and Center for Advanced Materials, Tuskegee, AL 36088

Abstract Polypropylene is a commodity polymer that has found a myriad of uses, ranging from dinnerware to automotive to household applications. Nanocomposites based on polypropylene dispersed with layered silicates offer a promising approach for enhancing the properties of this polymer. In this research, the linear viscoelastic behavior of a polypropylene and polypropylene nanocomposite has been examined to understand the effect of nanodispersed particles on the viscoelastic relaxation of these materials. Both dynamic (using dynamic mechanical analysis) and transient (creep) experiments have been conducted to study this behavior. The nanocomposites exhibit longer relaxation times and hence less creep than the pure polypropylene samples. This can be explained in terms of a confinement of segmental mobility by the nanoparticles. The creep rate for the nanocomposite sample would be expected to be less than that of the pure polypropylene. The effect of varying the crystallinity on these properties was also examined using DSC and XRD. Extruded samples show less degree of crystallinity compared to compression molded samples which in turn affect the relaxation time on both samples. Nanocomposite samples also have a lower degree of crystallinity compared to pure polypropylene. Flexural properties are being tested and will be presented.

157


POSTER ABSTRACTS 26

ʺOptic Nerve Injury and Neuroprotection In The Cat Thalamusʺ Magan N. Butler-Coleman*, Christine Harman, and Arthur J. Weber, Ph. D. Michigan State University, Department of Physiology, East Lansing, MI 48824

Abstract PURPOSE: To determine whether Brain Derived Neurotrophic Factor (BDNF), an effective neuroprotectant at the level of the eye, might also protect retinal target neurons in the dorsal lateral geniculate nucleus (LGN), thereby preserving the integrity of a larger part of the central visual pathway in response to optic nerve (ON) injury than is possible with treatment of the eye alone. The long-range purpose is to develop a more effective treatment strategy for minimizing the neurological damage that occurs in Glaucoma, a leading cause of blindness. METHODS: A cat optic nerve crush model was used to replicate the neurological degeneration that typically accompanies ON injury. Four cats were used. Two received a unilateral optic nerve crush and no treatment, while the other two received optic nerve damage and injections of 30µg of BDNF into visual cortex at the time of the nerve injury. The normal eye and visual structures served as controls. LGN cell size comparisons were made using a microscope-based image analysis system. All measurements were analyzed using Microsoft Excel and SPSS statistical software. RESULTS: Following optic nerve crush and no treatment with BDNF, the cells in the affected regions of the LGN were about 18% smaller than normal. By contrast, LGN neurons in the affected layers of animals treated with BDNF were only 3% smaller than normal in mean cross-sectional area. CONCLUSIONS: LGN neurons respond positively to BDNF applied to visual cortex, and retain their normal sizes following optic nerve injury. These data suggest that combined treatment of the eye and LGN might serve as a more effective therapeutic approach for providing neuroprotection to the visual system following optic nerve injury than treatment of the eye alone.

27

ʺSpectroscopic Studies Of Liquid Solutions Of Pyridoxalideneasparginate Of Europium And Silver Nanoparticle Aggregatesʺ Martin J. Codrington2, C. Davison1, G. Zhu1, M. Bahoura1, M. A. Noginov*1 1

Norfolk State University, Norfolk, Center for Materials Research, VA 23504 Morgan State University, Department of Chemistry, Baltimore, MD 21251

2

Abstract This research focuses on the study of the emission, excitation and absorption properties of powdered, liquid, and silver aggregated solution forms of pyridoxalideneasparginate of europium. The emission and excitation properties of the compound were observed using a pump-emission laser setup and the FluoroMax-3 fluorimeter. The absorption spectra were taken with the Cary 5G UV-VIS-IR spectrometer. The results from the powdered and liquid aggregated samples are compared. Results seem to indicate a change in the emission band of the Europium salt as a result of Ag aggregation.

158


POSTER ABSTRACTS 28

ʺIs One Molecule Enough? Influence Of Intermolecular Interactions In Urea Clusters On (Hyper)Polarizabilitiesʺ Mary L. Williams1 and Suely M. Black*1,2 Norfolk State University, 1Center for Materials Research, 2Department of Chemistry, Norfolk, VA 23504

Abstract The nonlinear optical properties of the urea molecule and crystal have been the focus of computational chemistry research for quite some time, generating a considerable body of information on the influence of several aspects of the calculation, and model system on the molecular hyperpolarizabilities (β). Urea molecule and clusters of up to three clusters were optimized using the 6-31G**(d,p) and first-order polarized (Pol) basis set at the HF level. The two conformations studied were the parallel and transverse. The transverse conformation corresponds to the global minimum, and was obtained when the urea molecule and clusters were optimized using first-order polarized (Pol) basis set at the HF level. The parallel conformation resembles the molecular alignment found in the crystal. The (hyper) polarizabilities of urea molecule and clusters were computed using the optimized geometry, 6-31G**(d,p) and firstorder polarized (Pol) basis set at the HF level. The use of the Pol basis improves the accuracy of (hyper)polarizabilities and better comparison of the additivity model, as the cluster size is increase. The additivity model states that the optical properties of the crystal only depend on the individual molecular properties, and their crystal structure, and neglect to add the effect of intermolecular interactions. In our research, we found that the components of the hyperpolarizability are affected differently by intermolecular interactions, with some of the components been virtually unchanged, following the additivity model, while others deviated considerably.

29

ʺThe Microwave Synthesis of Substituted and Unsubstituted Enaminonesʺ Melvin Bolden* Dr.Yousef Hijji Morgan State University, Chemistry Department, Baltimore,MD, 21251

Abstract Enaminones are used as a precursor in the synthesis of class I anticonvulsants such as lamotrigine and phention. Typically the synthesis of enaminones takes any where from 15-24 hours in a reflux apparatus with benzene. The focus of this project is to develop a library of enaminoes using microwave irradiation as its new methodology. This has been shown to reduce reaction times, increases yields and provides an echo-friendly reaction. The microwave synthesis produced substituted and unsubstituted products of high purity with high yields and low reaction times. All of the enaminone synthesized, where neat reaction with NH4OAc and a diketone. These reaction took on an average 45 seconds and yields of at least 89%. In most cases purification was only recrystallization or by a column. Scheme: Synthesis of enaminones: R3 O R1

R3 O

NH4OAc

n

Microwaves

H2N

O R1

R2

n= 0 or 1 R1=R2=R3= H R1=R2=CH3 R3= H R1=R2=H R3 = CH3

159

R2


POSTER ABSTRACTS 30

ʺThe Effect Of Butylmethylimidazolium Chloride On RNA Functionʺ Naomi F. Campbell* 1, Stephanie Nemeth1 and Aisha Robinson2 Jackson State University, Department of Chemistry, Jackson, MS 39217 University of South Alabama, Department of Chemistry, Mobile, AL 36688 1

2

Abstract Green chemistry has received great interest in recent years because of concerns of environmental pollution and its effect on the ecosystem. One major new development in the field of green chemistry has been the use of ionic liquids to replace volatile organic solvent in synthetic application. Ionic liquids are molten salts and are considered “green” solvent because unlike the typical volatile organic solvents they replace, ionic liquids have no measurable vapor pressure, remain in the liquid state throughout a temperature range of 200oC – 300oC and are easily recycled. Ionic liquids are usually composed of a large organic cation and a smaller inorganic anion and can be customized, like organic solvents, to dissolve a wide range of organic molecules including biological molecules. Hundreds of new ionic liquids are being synthesized yearly and very little research exists on the long-term effects of ionic liquids on biological systems. Polyadenylic acid [poly (A)] and polyuridylic acid [poly (U)] were soluble in butylmethylimidazolium chloride only after microwaving or if the RNA was introduced into a solution of ionic liquid and water. Initial hybridization studies were performed by fluorescence spectroscopy using an ethidium bromide assay. Poly (A) and poly (U) solubilized in 0.1 M sodium phosphate buffer, pH 7.0 was also microwaved and used as a control. Initial hybridization studies showed a significant decrease in the hybridization of RNA solubilized in butylmethylimidazolium chloride as compared to RNA solubilized in phosphate buffer.

31

ʺMorphology And Release Profiles Of Biodegradable Microparticles Containing Rhamnolipid Biosurfactantʺ Natasha D. Henry*a, Michael Abazingea, Tanise Jacksonb, Elijah Johnsona Florida A&M University, a Environmental Sciences Institute, b College of Pharmacy and Pharmaceutical Sciences, Tallahassee, Fl 32307

Abstract The surface morphology and release profiles of microparticles containing rhamnolipid biosurfactant were investigated for the controlled release of biomolecules. Evaluation was conducted under laboratory conditions with 45 mg/ml concentration of biosurfactant and a representative environmental medium; salt water (35 ppt NaCl solution) and deionized water medium as a control. The microparticles were prepared by the water-in-oil-in-water double emulsion solvent evaporation method. The surface morphology was examined after initial preparation, at 0, 15 and 31 days incubation, using light microscopy. Light microscopic images revealed smooth, spherical microparticles that degraded over time in the media. Results indicated that polymeric degradation occurred most in the salt water environment, suggesting that the presence of salts (Na+ and Cl- ions) in the water enhances microparticle. The deionized water environment achieved polymeric degradation that was similar to that generally reported in the literature. Biosurfactant release was evaluated for the molecular weights (Mw), 40, 80, and 200 kDa, in saltwater and deionized water media showed a high initial burst release of biosurfactant followed by pulse releases over the 31 day period. The highest level of release occurred in the saltwater medium with Mw 80 kDa. Release from Mw 40 kDa and Mw 200 kDa were not significantly different (P > 0.05).

160


POSTER ABSTRACTS 32

ʺSynthesis Of Amphiphillic Pyrrole Monomer: (12-Pyrrol-1-Yldodecyl) Triethylammonium Tetrafluoroborateʺ Nnamdi Ofoegbu*a , Dr Yousef Hijji a and Dr. Estelle Gaudab Morgan State University, Baltimore MD21251, a Johns Hopkins Medical Institutions, Baltimore,MD 21218 b Abstract

A novel method for the synthesis of amphiphillic pyrrole has been formulated. It builds upon methods already in existence but differs in that it makes use of more reactive materials and equally efficient solvents to arrive at the final product. The synthesis of amphiphillic pyrrole is very important due to its application in the fabrication of micro biosensors for detection of adenosine release, hence the need for an effective and quick method for synthesizing the monomer. Our method makes use of potassium hydride in place of potassium metal to deprotonate pyrrole in the first step of the monomer synthesis. It also eliminates the need for the formation of pyrrole potassium intermediate, forming the first product 12-pyrrol-1yldodecan-1-ol in less than 2hours with a yield of about 68%. This is a great improvement from previous methods where it took about 12h 30mins to make the product, although with a greater yield of 95%. The speed of our method however compensates for its lower yield.

Acknowledgement: Support by NSF Grant # HBCU-RISE 0236753

33

ʺOptimization Of Quaternary Salt Synthesisused In Heptamethine Cyanine Dyeʺ Nicole B. Fleming*, and Dr. Angela Winstead Morgan State University, Department of Chemistry, Baltimore, MD 21251

Abstract Previous studies have proven heptamethine cyanine dye (scheme 1) to be a near-IR dye, which possesses characteristics of a biosensor. The dye is synthesized from the combination of a quarternary salt and bisaldehyde. One of the components of interest is a quarternary salt, which is formed from a 5:1 ratio of iodoethane and 2,3,3-trimethylindolenine. These salts have been previously synthesized conventionally in 15 hours. In an attempt to optimize the synthesis, this reaction was transferred to the conventional microwave in the absence of solvent. Through microwave-assisted synthesis, parameters were manipulated to run the reaction at optimum temperature and improve the stoichiometric relationship. It was determined that the most viable synthesis was attainable at 130oC and a 1:1 ratio with a 40% yield.

161


POSTER ABSTRACTS Scheme 1 Cl

EtI N

I

N

Cl OH

O

N

quarternary salt

34

N

Dye

ʺStudies of Carbon Dioxide Sorption on Coals via Attenuated Total ReflectanceFourier Transform Infrared Spectroscopyʺ Ryan N. Favors1,2, Megan M. Hill1,3, and Angela L. Goodman*1 National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236. 2Purdue University, Chemistry Department, West Lafayette, IN 47907. Indiana University, Department of Geological Sciences, Bloomington, IN 47405.

1

Abstract The capture and storage of carbon dioxide (CO2) can reduce greenhouse gas emissions generated from fossil fuel combustion. The storage (or sequestration) of CO2 has many options, of which sequestration in coalseams has been deemed as promising. There are theories that states gases in coals are mainly stored three ways: adsorbed on the coal surface externally in the coal’s pore structure, and absorbed within the matrix of the coal. With the use of Infrared (IR) spectroscopy, information for the types of interactions of CO2 sorption on coals can be provided. We have examined the interactions between CO2 and various coal samples by using attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy. The conditions for these experiments were carried out at a temperature of 328 K and pressures up to 27 MPa. Data analysis was obtained by observing the sorbed CO2 on the coal samples around ~2330 cm-1. Evidence of CO2 sorption on coal as well as kinetic studies has been reported.

35

ʺThe Synthesis of P-Nitrophenyl-Alpha-D-Mannopyranoside-6-EthlyPhosphateʺ Shane L. Glasgow Benedict College, Columbia, SC 29204

Abstract The purpose of the experiment was to prepare p-nitrophenyl-alpha-D-mannopyranoside-6-ethly-phosphate. The starting material used was Alpha-methyl-D-mannopyranoside. First the synthesis of 6-Methoxy-2phenyl-hexahydro-pyrano [3,2-alpha] [1,3] dioxine-7, 8-diol, which yielded 28% was done. Then 4-Methoxy8-phenyl-hexahydro-1, 3,5,7,9-pentaoxa-cyclopenta (alpha) naphthalene-2-one was synthesized which gave a 54% yield. The next derivative produced was acetic acid-4-acetoxy-6-acetoxymethyl-2-oxotetrahydro- [1,3] dioxolo [4,5-c] pyran-7-ylester. It was produced with a yield of 54%. Next acetic acid 7-acetoxy-4-bromo-2oxo-tetrahydro- [1,3] dioxolo [4,5-c] pyran-6-ylmethylester was synthesized. It was used directly without purification in the next step.

162


POSTER ABSTRACTS In the second part of the experiment p-nitrophenyl-alpha-D-mannopyranoside-6-ethly-phosphate was synthesized with a yield of 20% from P-nitrophenyl-alpha-D-mannopyranoside.

36

ʺModeling of Interfaces: Adsorption of 2-Methyl-4-Nitroaniline on HydrogenTerminated Si (100) 2x1 Surfaceʺ Sheena M. Inge and Suely M. Black*1,2

Norfolk State University, 1Center for Materials Research, 2Department of Chemistry,, Norfolk, VA. 23504 Abstract The Si (100) surface is one of the best-examined semiconductor surfaces due to its major technical importance for semiconductor devices. Materials obtained by the deposition of organic molecular layers on inorganic substrates may lead to the development of novel devices. Because the substrate and the adsorbate interact by weak intermolecular forces, they yield quasiepitaxal materials with few defects. The absence of latticematching requirement results in great freedom to design new structures, which have been proven to be useful for nonlinear and linear optical devices. MNA, 2-methyl-4-nitroaniline, has been used as a model system due to its nonlinear optical properties and simplicity. On the other hand, silicon has been the standard material for the production of microchips. The combination of the properties of MNA with the processability of silicon may lead to useful materials with applications to electronic devices preparation and design. This work initiates the study of a model system to describe the adsoption of MNA on the Hydrogenterminated Si (100) surface. The long-term goal is to determine the least expensive theoretical method and model system to describe the adsorption of molecular compounds on inorganic surfaces. The models were obtained by using a limited number of silicon atoms from the infinite crystal and terminating the dangling bonds with hydrogen atoms. The organic molecule and the surface were independently optimized at the Hartree-Fock, 6-31G** level, and then brought together for constrained geometry optimizations, using ONIOM, a multi-theory level method. The optimized adsorbed system structure and initial probing with pseudopotential approaches are presented and discussed.

37

ʺTeaching and Mentoring Training Programs at Michigan State University: A Doctoral Student’s Perspectiveʺ Tylisha M. Baber*, Daina Briedis, Mark Worden

Michigan State University, Department of Chemical Engineering & Materials Science, East Lansing, MI 48824 Abstract In engineering disciplines, the main objectives of doctoral training are to learn how to conduct research, to deepen oneʹs thought process through critical thinking, to apply knowledge to solve complex engineering problems and to contribute to an area of expertise. However, preparation for the teaching component of an academic career is frequently overlooked in doctoral training, adversely affecting the quality of engineering education. A lack of experience in effective teaching can present difficult and somewhat overwhelming challenges for new faculty. Thus, some instruction in pedagogy at the graduate level can help improve the transition for new faculty into a scholarly professoriate. In addition to scholarly research, the College of Engineering at Michigan State University has placed emphasis on the teaching component of graduate training through the development and implementation of a College Teaching Certificate (CTC) program. The objective of this program is to provide doctoral students

163


POSTER ABSTRACTS with training in college teaching that enables them to be successful educators in an academic setting. The program requires successful completion of two courses. The first course introduces students to methods and strategies used to effectively teach engineering students. The second course allows students to teach in a classroom under the supervision and mentoring of a College of Engineering faculty member. Upon completion of this program, students receive an MSU Certificate in College Teaching, and a transcript notation is also provided. As a doctoral student interested in a teaching career, author TB has successfully completed all the requirements of this program. This paper discusses her experience as a CTC participant, evaluates the CTC program, and gives recommendations on how it might be further improved and adopted by other institutions. Furthermore, author TB will describe other teaching and mentoring opportunities she has experienced at Michigan State University and how they helped prepare her for a future academic career.

38

ĘşThe Purification of PRMT1Ęş Tremane Bartley1, Paul Thompson*2, Tanesha Osbourne2, and Sean Courtney2 Benedict College, Columbia SC 29204 University of South Carolina, Department of Chemistry and Biochemistry, Columbia SC 29208 1

2

Abstract Protein Arginine Methyltransferases (PRMTs) are a group of eukaryotic S-adenosyl-methionine (SAM)dependent enzymes that catalyze the post-translational methylation of Arg residues in a variety of different proteins involved in cell signaling. PRMT1 has been shown to be the predominant protein-argenine methyltransferase in cells, contributing more than 90% of this activity. The purification of PRMT1 is thus an important aspect of this research. The process starts by growing up the cells; IPTG is added to bind to the Lac Operon to start transcription of the protein. After harvesting the cells, lysis is performed to put the protein in solution. The cell solution is put through a series of column chromatography methods. The first is a column of nickel coated chelating sephrose beads. The fractions from this column are then run through the mono Q column of the FPLC. After the mono Q column the protein is about 80% pure. Homogenity of about 95 % is achieved after using the superdex column of the FPLC. The PRMT1 can be used to catalyze metyhlation at this purity.

164


POSTER ABSTRACTS 39

ʺElectron Transfer In Quadruplex DNAʺ Thabisile S. Ndlebe*, Gary B. Schuster Georgia Institute of Technology, School of Chemistry and Biochemistry, Atlanta, GA 30332-0400

Abstract Extensive studies have been performed to determine the effect of radical ions on DNA. These studies address interest in understanding the factors and mechanisms that influence DNA damage through oxidative pathways. Detailed electron transfer studies on duplex DNA have shown that guanine bases are more susceptible to oxidative damage than other bases. This led to interest in determining the effects of electron transfer in guanine rich quadruplex DNA molecules. Quadruplex DNA structures are comprised of guanine rich regions which are bound together by both “Watson and Crick” and Hoogensteen base pairing, as well as monovalent cations. The effects of electron transfer on quadruplex DNA were then compared to those observed in duplex DNA.

T4 Loops

G G G G G

G G G G G

Quadruplex region

Duplex Region 5’ AQ

The experimental model for these experiments used a hairpin forming DNA sequence (as shown in the above figure), which under high potassium salt concentrations formed a [d (G5T4G5)]2 quadruplex structure with two duplex overhangs. The quadruplex molecule was then characterized using fluorescence spectroscopy, UV absorption, UV-Vis spectroscopy, Circular Dichroism (CD), and polyacrylamide gel electrophoresis (PAGE). A covalently linked anthraquinone sensitizer was used to induce DNA damage upon irradiation at 360nm. The DNA photodamage was then characterized by PAGE analysis and quantified by a Fuji imager.

165


POSTER ABSTRACTS 40

ʺTransparent Conducting Thin-Films Made From Polymers Doped With Carbon Nanotubesʺ T. Simeon, 1T. Holmes, 2B. Mosley, 1G. Hill, 1J. Leszczyski and 2Q. Williams*

1

Jackson State University, Department of Chemistry1, Department of Physics2, Jackson, MS 39206 Abstract Thin films containing Single-Walled Nanotubes (SWNTs) exhibit a wide range of properties, such as, low resistance, high optical transparency and robust flexibility that make them well-suited for the next generation of transparent devices. Currently, thin films made from indium tin oxide (ITO) are the materials of choice. Although, films of ITO can be readily deposited on substrates (e.g. glass and plastics) the inherent brittleness of ITO severely limits film flexibility. By replacing ITO with polymers incorporating SWNTs, many desirable properties of the ITO films may be reproduced without the structural shortcomings. In this study, properties of thin films with SWNTs incorporated are explored. Materials processing of thin films made with low levels of SWNTs and electrical characterization will be presented.

41

ʺDetection Of Intracellular Injury Within Isolated Neutrophil Populations Using Fluorescent Microsensors.ʺ

Colette Ntam1, Mike Baker1, Ashley Kennedy2, Angela Winstead2, Richard Williams2 and Dwayne Hill*1. Morgan State University, Departments of Biology1 and Chemistry2, Baltimore, Maryland 21251

Abstract Microsensor technology is a surging area of research that has captured the interest of a diverse group of researchers such as clinical researchers, ecological/environmental scientists, evolutionists, and homeland defense strategists. The interest in micro-sensor technology continues to center around its plethora of fundamental and potential applications ranging from indication of chemically-induced diseased conditions to detection of chemicals/substances used in bio-warfare weaponry. An essential application of this technology is the fluorescent indication of chemically-induced extra- and intra-cellular toxicity while maintaining maximum specificity and minimal biological interference. If this cellular toxicity can be detected during the early onset period, there is a high probability for remediation and recovery. Importantly, it is critical for the microsensors to indicate the cellular locations of the developing toxicity. This indication will serve to expedite the therapeutic process. One of the more essential cellular structures is the cell membrane. This structure provides a critical defense against the toxic challenges by preventing intracellular distribution of a toxic agent and facilitating the elimination of transversed toxicants from the intracellular environment. If this structure is damaged by a toxic chemical, then intra- and extra-cellular integrity could be compromised. Therefore, the present study was designed to determine the localization and fluorescence of the microsensors within selected cellular membrane compartments after chemicallyinduced injury has occurred. The developed microsensors will have the capability to minimize background interference by extraneous biological matrices, to exhibit optimal molar absorptivity and quantum yields, to maintain chronic cellular homeostasis, and to exhibit fluorescence indication of specific intra-cellular injury. The results confirm that the microsensors undergo intracellular membrane distribution without altering cellular viability and normal integrity. In addition, the microsensors exhibit correlative fluorescence while monitoring the intracellular membrane injury. (Supported by NIH RR017581, NIEHS ES00330-02, DOE ER63580)

166


POSTER ABSTRACTS 42

ʺBioconversion Of Corn Stover Pyrolysates Using A Coculture Of Thermotoga Martima And Methanococcus Jannaschiiʺ T. Akim Nilausen*, Stephen Fischer, Dr. Tonya L. Peeples University of Iowa, Department of Chemical and Biochemical Engineering, Iowa City, IA 52242

Abstract The bioconversion of corn stover pyrolysis fractions (pyrolysates) using the hyperthermophiles Thermotoga maritima and Methanococcus jannaschii is being evaluated. Pyrolysis involves heating biomass (corn stover) to high temperatures (400 to 1200 °C) under low oxygenic conditions and results in thermal depolymerization yielding a viscous organic liquid. The produced syrup is a mixture containing sugars including glucose and levoglucosan as well as other compounds and is not yet completely defined. It is known that useful products, such as ethanol, hydrogen and precursor compounds like acetate and lactate can be obtained from bioconversion using T. maritima. Utilizing natural products to replace a portion of the petroleum based chemicals may help to alleviate some of the stress the chemical process industry places on the environment. It could also potentially be an economic boost for states that are heavily based in agriculture and a means to decrease their need on government subsidies. Previous studies have relied solely on T. maritima. More recent research has shown that alleviation of inhibitory hydrogen is important to increased fermentation activity. M. jannaschii requires hydrogen for growth and when cocultured allows for a large increase in cell density for T. maritima and in theory an increase in bioconversion. Currently the work is being done in batch cultures, but there are future plans to scale up to a continuous culture system. An important step here is to gain a more complete analysis of the pyrolysis mixture composition and of the products generated upon extremophilic conversion. The majority of this work will be accomplished using HPLC analysis. This research will lead to the development a hybrid thermochemical and extremophile bioconversion process for the production of high value products from agricultural wastes.

43

ʺElectrochemical Oxidation Of Methanol With Homogeneous And Supported Ru/Sn Complexesʺ Corey R. Anthony and Lisa McElwee-White* University of Florida, Department of Chemistry, Gainesville, FL 32611-7200

Abstract CpRu(TPPMS)2Cl (1) and CpRu(TPPMS)2(SnCl3) (2) were studied as homogeneous catalysts for the electrooxidation of methanol to dimethoxymethane (DMM) and methyl formate (MF). The heterobimetallic Ru/Sn complex 2 exhibited higher turnover numbers and current efficiencies than CpRu(TPPMS)2Cl. The selective formation of DMM from methanol was achieved with a current efficiency of 92.4 % when CpRu(TPPMS)2(SnCl3) was the electrocatalyst. The synthesis and characterization of CpRu(amphos)2Cl (3) and CpRu(amphos)2(SnCl3) (4) will also be reported. Modified carbon paper electrodes stable in air, water

167


POSTER ABSTRACTS and a wide pH range were prepared by using Nafion as a solid support for complexes 3 and 4. The oxidation of methanol with the modified electrodes will be discussed.

44

ʺPreparation of Transparent Yttrium Aluminum Garnet (Y3Al5O12, YAG) Ceramics from Commercial Y2O3 and Al2O3 Powders by Vacuum Sinteringʺ Kewanza Q. Williams1*, Ren-Guan Duan, Ph.D.2 Tougaloo College, Tougaloo, MS 39174 Center for Materials Research, Norfolk State University, Norfolk, VA 23504 1

2

Abstract Transparent Yttrium Aluminum Garnet (Y3Al5O12, YAG) polycrystalline ceramics are made from a mixture of Al2O3 and Y2O3 powders that are exposed to high temperature calcination and vacuum sintering between 1723 and 1823°C. Due to their high mechanical properties and easy preparation, transparent polycrystalline YAG ceramics are widely used in the industrial, medical, and military fields for high-power laser applications. From previous studies, we are aware that the most enhanced transparent YAG polycrystalline ceramics are obtained from commercial oxide powders that have nano-sized particles. However, nano-sized powders are fairly expensive to purchase and difficult to make. Therefore the mechanochemical process of high-energy ball milling (HEBM) can be utilized to reduce the size of commercially obtained micro-sized powders by increasing their surface area and thereby increasing the powders’ reactivity. The purpose of this study is to compare the structure and properties of YAG ceramics produced from two different sets of powders: set one consists of nano-sized Al2O3 powder and micro-sized Y2O3 and set two consists of nano-sized Al2O3 and a high-energy balled milled micro-sized Y2O3 powder. X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM) were used to evaluate the sample. Although we were unable to produce a transparent YAG ceramic with either set of powders, we were able to observe, via SEM and XRD data, that the high-energy ball milled powder is more reactive. Overall, we can conclude through observation of data that the ceramic pellets are not transparent because their grain sizes are too big and they are not completely dense, that is the pellets contain large holes.

45

ʺPreparation of Ionic Liquids as Alternative Solvents for Organic Synthesesʺ Carey Dillard*1 , Elke Schoffers2 Tougaloo College, Tougaloo, MS 39174 Western Michigan University, Department of Chemistry, Kalamazoo, MI 49008 1

2

Abstract Room temperature ionic liquids have taken the chemistry world by storm. Identifying properties of these ionic liquids is very important. The goal of this research was to create a new ionic liquid with a nitrile sidechain, which would make the ionic liquid more polar. The polarity of a solvent is very important when working with polar reagents. In an attempt to synthesize a new ionic liquid, two novel ionic liquids were

168


POSTER ABSTRACTS prepared. The goal was to modify the side-chain of the new ionic liquid by adding the nitrile side-chain. The process of preparing a new, more polar ionic liquid with more useful properties began with the synthesis of 4-chlorobutyronitrile. A new ionic liquid such as this one could be used as a solvent for organometallic coupling reactions in very polar reagents.

46

ʺSynthesis, Characterization and Supramolecular Studies of Large-Cavity Amine Calixarene Compoundsʺ Nikki-Giovanni M. Joseph and Carl P. Johnson* Southern University at New Orleans, Department of Chemistry, New Orleans, LA 70127 Abstract

Derived from a phenol-formaldehyde mixture, Calixarenes are a class of compounds that have been extensively investigated in the field of Supramolecular Chemistry. The originator of this synthesis was Adolph Von Baeyer, who in the 1870’s heated phenol-formaldehyde to observe a reaction. Later in the early 1900’s, Baekeland took that heated phenol-formaldehyde solution and marketed it under the name “Bakerlite”. It was in the mid 1900’s that Zinke’s group at the University of Graz, made a comparison between the cyclic tetramers, later called calixarenes, and the calix crater. Their basket-like structures have defined “upper and lower rims”, which is directly related to their conformational freedom. Also, the “upper and lower rims” may be easily functionalized. In addition, Calixarenes contain well-defined cavities that are able to host guest molecules. This research focuses on the synthesis, characterization and supramolecular studies of large-cavity, and less assessible calix[n]arene compounds (n= 4, 5). Initially, this research has focused on the synthesis and characterization of parent compounds, p-tert-butyl calix[n]arenes (n=4, 5). Specifically this research will focus on amine functionalities in the “upper rim” in order to achieve selective mode of interaction.

47

ʺSynthesis, Characterization, and Supramolecular Studies of Large-Cavity Sulfonated Calixarene Compoundsʺ Harry Eba Tabi and Carl P. Johnson* Southern University at New Orleans, Department of Chemistry, New Orleans, LA 70127

Abstract Phenol-Formaldehyde Chemistry which began over a century ago in the laboratories of Adolph Von Baeyer has been the main focus in Supramolecular Chemistry, because of many potential applications of the basketlike compounds called calixarenes. Calixarenes are cavity-containing macrocyclic compounds synthesized from base-induced reactions involving phenols and formaldehyde. These compounds are available in a variety of ring sizes, which have become of great interest in supramolecular studies. The unique and interesting features of calixarenes are their ability to assume a variety of shapes through conformational interconversions and easily functionalize “upper and lower rims”, which is responsible for the mobility and flexibility of calixarene structures. The mobility and flexibility of calixarene compounds depend on their ring sizes, conformation and functionalities. As a result, calixarenes can be used as synthetic ligands, extractants, and biomimics (enzyme mimic studies). This research focuses on the synthesis, characterization and supramolecular studies of large-cavity, and less assessible calix[n]arene compounds (n= 4, 5). Initially, this

169


POSTER ABSTRACTS research has focused on the synthesis and characterization of parent compounds, p-tert-butyl calix[n]arenes (n=4, 5). Specifically, these compounds will be used to prepare sulfonated derivatives of calixarene compounds for potential ligands and extractants.

48

ʺPoly (Ethylene-Co-Methacrylic Acid)/[Silicate-Titanate] Stimuli-Responsive Nanocomposite Powder Coatingsʺ Mary R. Moore* and Kenneth A. Mauritz University of Southern Mississippi, School of Polymers and High Performance Materials, Hattiesburg, MS 39406 Abstract

By combining the concepts of sol-gel chemistry and powder coating technology in the area of high performance coatings, a unique series of stimuli-responsive poly (ethylene-co-methacrylic acid)/ [silicatetitanate] nanocomposite hybrids were constructed via sequential sol-gel processes using hybrid inorganic/organic nanocomposite technology. Attenuated total reflectance infrared spectroscopy was used to confirm the presence of metal oxide nanoparticles within the bulk polymer matrix. Thermogravimetric analysis determined inorganic uptake percentages and degradation temperatures. Crystalline peaks from differential scanning calorimetry thermographs showed that the presence of the metal oxide nanoparticles disrupts crystalline order within the polymeric systems while dynamic mechanical analysis data confirmed changes in thermal and mechanical properties. Transmission electron spectroscopy was used to observe coating topography and inorganic particle size and shape. The resulting powder coatings were also evaluated through various tests performed in accordance to ASTM standards to reveal an increase in such properties as coating adhesion, chemical resistance, flexibility, film hardness, and impact resistance.

49

ʺMolecular Mechanics Description of Cytosine Energy and Geometry Using Preliminary ab initio Resultsʺ

T.Robinson c ,V.I.Poltev a,b, E.Gonzalez a, A.S.Deriabina a, L.Lozano a, A. Martinez a, L.Gorb c, J.Leszczynski c Physics and Mathematics Department, Puebla Autonomous University, Puebla, 72570, Mexico Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Moscow Region, 142290 Russia c Computational Center for Molecular Structure and Interactions, a

b

Jackson State University, Jackson, 39217 MS, USA

Abstract Quantum mechanics ab initio computations are used to improve molecular mechanics force fields for nucleic acids. The most important phenomenon of nucleic acid structure, which cannot be properly reproduced by existing force fields of molecular mechanics, is phenomenon of nonplanarity and flexibility of base amine groups. This phenomenon is described by precise quantum mechanics ab initio calculations. As a first step in developing force field, based on both experimental and accurate quantum chemistry data, the calculations of the MP2/6-31G(d,p) ab initio level of theory were performed for extended sets of amino group torsion angles of cytosine, one of natural nucleic acid bases. Dependences of internal base energy and base geometry parameters on amine group torsions were constructed and analyzed. The analysis suggests that 170


POSTER ABSTRACTS the molecule energy and amino group geometry cannot be described by usual formulae of molecular mechanics without additional terms responsible for amino group flexibility. Construction of twodimensional maps for energy and geometry parameters as functions of amino hydrogen torsions enables to suggest trial analytical expressions for these terms. Exact values of coefficients in the formulae will be obtained after the comparison of the results of quantum mechanics and molecular mechanics computations for base-base interactions in various mutual base arrangements.

50

ʺSolvation Studies of Several Non-Steroidal Anti-Inflammatory Compoundsʺ Jessica Hardaway*, 1, 2Bereket Mochona, 2Kinfe K. Redda, 1Jesse Edwards

1

Florida A&M University, 1Department of Chemistry, 2College of Pharmacy and Pharmaceutical Sciences, Tallahassee, FL, 32307 Abstract Mochona et. al have synthesized a series several of anti-inflammatory pharmaceutical compounds. These compounds are derivatives of 1, 2, 3, 6- tetrahydropyridine. The analogs of this class of pyridine compounds do not possess the same deterious side effects as their steroidal counterparts. A schematic of the various groups to be discussed are displayed below. With any drug the structure plays an important role in the activity. This work will present solvation studies of this unique class of compounds in which we examine the effects of solvation on the structure of these compounds. Molecular mechanics conformational searches were conducted using the Tripos forcefield at various dielectric constants (0, 20, and 78) to determine the effects of solvation on the structure of these molecules. The dielectric constant was set at 78 as to mimic a water solvated system. The lowest energy conformations at various dielectric constants were examined and contour plots were constructed. The resulting conformational searches, contour plots, rotational barriers, and the general flexibility of these compounds will be presented in this work.

51

ʺMolecular Dynamic Studies of Derivatives of the XI5 HIV-1 Protease Inhibitorʺ M. Buckles,* and J. Edwards 1

Department of Chemistry/AHPCRC, Florida A & M University, Tallahassee, FL, 32307. Abstract

One of the major targets in anti-HIV therapeutics is protease inhibition. In an attempt to develop anti-HIV protease inhibitors, Dunn et. al. synthesized a series of unique peptides. In a previous computational work using molecular dynamics Bryan et. al showed the flexibility of one of Dunn’s seven unit peptides, XI5. The flexibility was induced by the reduction of the central carbonyl in the peptide chain. It has been hypothesized that the flexibility of the XI5 inhibitor increases the anti-HIV agents ability to overcome mutations in and outside of the active site of the HIV-1 protease. In this work, we present derivatives of XI5 and compare the dynamic motion of these peptides to the parent compound.

171


POSTER ABSTRACTS 52

ʺDFT Study on the Reaction Mechanism of the 1, 3-Dipolar Cycloaddition Between Ethene and Nitrile Oxideʺ Jason Ford-Green, 1Ayourinde Hassan, 1Yinghong Sheng, 1Jerzy Lesczcynsky

1

Jackson State University, 1Department of Chemistry, Jackson, MS 39217 Two reaction mechanisms of the 1, 3-dipolar cycloaddition between ethene and nitrile oxide have been studied at the B3LYP/6-31G(d) level. One is a concerted reaction; the other is a two-step reaction which contains an intermediate. The concerted reaction mechanism is found to be favorable over the step-wise due to the energy difference of the HOMO-LUMO gap between reactants, as well as the orientation of reactants for likely Molecular Orbital Overlap. The preference of the reaction mechanisms are explained in terms of the molecular orbital interactions and the Potential Energy Surface.

53

ʺEffects of Solvent on HIV Protease Foldingʺ 1

C. D. Eybl,* and 2J. Edwards

Florida A & M University, 1College of Pharmacy and Pharmaceutical Sciences/AHPCRC, 2Department of Chemistry/AHPCRC, Tallahassee, FL. Abstract PURPOSE: Folding and binding of HIV protease are essential for its catalytic activity. Atomic-level understanding of the monomeric and dimeric folding may suggest an alternative approach for design of more powerful inhibitors. METHODS: Here, we study the kinetics of folding of HIV-1 PR using molecular dynamics techniques with explicit and implicit solvent models. We compare resulting globular structures with X-ray structures and examine how well each model describes folding of HIV-PR. RESULTS: Our results will show the similarities and differences between the X-ray structures and the structures obtained using molecular dynamics simulation in vacuum and water. CONCLUSION: The flexible portion of the molecules deviate more than the helix portion of the molecules.

54

ʺDeveloping QSAR Studies of Several Non-Steroidal Anti-Inflammatory Compounds ʺ Chezney Woodfaulk*, 1, 2Bereket Mochona, 2Kinfe K. Redda. 1Jesse Edwards

1

Florida A&M University, 1Department of Chemistry, 2College of Pharmacy and Pharmaceutical Sciences, Tallahassee, FL, 32307 Abstract Mochona et. al have synthesized a series several of anti-inflammatory pharmaceutical compounds, totaling over 40 related compounds These compounds are derivatives of 1, 2, 3, 6- tetrahydropyridine. The analogs of this class of pyridine compounds do not possess the same deterious side effects as their steroidal counterparts. Using Sybyl software and the Tripos force field for molecular mechanics calculations we have 172


POSTER ABSTRACTS constructed Quantitative Structure Activity Relationships from these unique sets of compounds. Performing conformational searches on the rotatable bonds of these compounds generated the CoMFA models presentedhere. Grid searches were constructed at 60-degree increments using a constant dielectric of 78 and Gasteiger-Huckel charges on the atoms. The dielectric constant of 78 is used to treat the molecules as though they were in an aqueous solution. The compounds in this study were aligned with the most rigid and active compound using common functional groups as a reference. PLS analysis were conducted and the results are reported in this work.

55

ʺTheoretical Study of Interactions of Guanine with Na+ Cation and Water Moleculeʺ C. C. Watts*, A. Michalkova, J. Leszczynski Computational Center of Molecular Structure and Interactions, Department of Chemistry, Jackson State University, Jackson, MS 39217 Abstract

The interactions of guanine (G) and its tautomeric forms (GT) with the non-hydrated and hydrated Na+ cation by one water molecule have been studied. Guanine is an organic compound belonging to the purine group, a class of compounds with a characteristic two-ringed structure, composed of carbon and nitrogen atoms. These compounds are occurring free or combined in such diverse natural sources as guano (the accumulated excrement and dead bodies of birds, bats, and seals), sugar beets, yeast, and fish scales. Guanine is a component of nucleic acids. On one hand, metal cations determine the structure and function of many biological macromolecules. Because of that, the study of the structure and intrinsic reactivity of the basic constituents of biological macromolecules when interacting with metal cations or upon ionization is of great interest and has received considerable attention in the last years. Accurate quantum chemical calculations will provide important insights to the interactions of guanine base and its tautomers of nucleic acids with cations and water. This work can help to understand the aspects of nucleic bases tautomerism and their mutagenic properties in the presence of cations and water molecule. The interactions of G and its tautomers with the Na+ cation and one water molecule have been investigated using the density functional theory in conjunction with the B3LYP functional and second order of the Møller-Plesset perturbation theory in conjunction with the at 6-31G(d) basis set. Several initial positions of the cation and water molecule around guanine and its tautomeric forms were tested to find the most stable complexes. Four stable systems of G and GT with the cation and one water molecule were found. The optimized structure of guanine interacting with the Na+ cation and the water molecule is presented in Figure 1. The presence of the cation and water molecule changes the order of the relative stability of tautomers of guanine. The regular guanine forms the most stable system with the cation in comparison with its tautomers. However, based on values of the interaction energies we concluded that the selected tautomers of guanine interact more strongly with the Na+ cation than with regular guanine. The values of the interaction energies are decreased by the addition of water. It means that the presence of water weakens the interactions of guanine and its tautomers with the Na+ cation. These less strong interactions correspond with longer Na-O and Na-N distances. The interactions of guanine and its tautomers with cation and water result in changes of the geometry and polarization of the target molecules. All atomic charges of interacting guanine are enlarged in comparison with the atomic charges of isolated guanine. The atomic charge is changed the most significantly for the oxygen atom. Biological significance of this study is in finding that the presence of cations and water molecules affects significantly the properties and stability of guanine and its tautomers.

173


POSTER ABSTRACTS

Figure 1. The optimized structure of guanine interacting with the sodium cation and the water molecule.

56

ʺDetermination Of Octanol-Water Partition Coefficient From Chemical Potential Calculationsʺ Harsh Jain* and Elijah Johnson, Florida A&M University, Environmental Sciences Institute, Tallahassee, FL-32307

57

ʺTransition Metal-Catalyzed Hydrostannation Reactions With In Situ Generated Tin Hydrideʺ Jennifer L. Weekes, Banibrata Ghosh, William P. Gallagher, Amy L. Szmanski, Anna J. Foster,and Robert E. Maleczka Jr.*, Michigan State University, Department of Chemistry, East Lansing, MI 48824

Abstract Vinyltin compounds are very versatile building blocks for organic synthesis. The synthesis of these reagents often involves the hydrostannation of alkynes with tributyltin hydride. Unfortunately, tributyltin hydride is relatively expensive, unstable, and toxic. Also the tin byproducts of its reactions are not always easy to separate from the desired products. Several groups have realized that creating new methods to make tributyltin hydride in situ would be beneficial in addressing some of these negative aspects of using tributyltin hydride directly. Our group found that by using tributyltin fluoride, polymethylhydrosiloxane (PMHS), and catalytic amounts of tetrabutyl ammonium fluoride or a combination of tributyltin chloride, PMHS, and KF(aq) can serve and an in situ sources of tributyltin hydride1. When used in combination with palladium mediated hydrostannations these in situ sources of tributyltin hydride reduce cost, toxicity, and storage issues associated with using tributyltin hydride directly. We also saw improved efficiency of such metal-catalyzed hydrostannations especially during the separation of the vinyltins. Having success with palladium catalyzed

174


POSTER ABSTRACTS hydrostannations, our group next wanted to explore the efficiency and success of other metal catalyst. Scheme 1: General reaction protocol

R

H

Catalyst Bu3SnF (or Bu3SnCl/KF(aq))

R

SnBu3

PMHS, TBAF, solvent, Hydroquinone

+

R

SnBu3

+

R

SnBu3

In past studies, others showed that hydrostannations could be performed under rhodium2, ruthenium2 molybdenum3, nickel4, and cobalt catalysis. Thus the aim of our project was to determine if our new method for carrying out hydrostannations with in situ generated tin hydride would work with these other metal catalysts. Currently, we have been able to test rhodium, nickel, ruthenium, and molybdenum in our system. The details of this project will be further discussed. 1. 2. 3. 4.

58

Maleczka, R. E., Jr.; Terrell, L. R.; Clark, D. H.; Whitehead, S. L.; Gallagher, W. P.; Terstiege, I. J. Org. Chem. 1999, 64, 5958-5965 Kikukawa, K.; Umekawa, H.; Wada, F.; Matsuda, T. Chem. Lett. 1988, 881-884. Kazmaier, U.; Schauss, D.; Pohlman, M. Org. Lett 1999, 1, 1017-1019. Bamba, M.; Nishikawa, T.; Isobe, M. Tetrahedron Lett. 1996, 37, 8199-8202.

ĘşDesign And Synthesis Of New Dual-Acting Antimalarial/ Antileishmanial Antiparasitic Agents Based On ArtemisininĘş Tuwanda Simmons,* Mitchell A. Avery, Kannoth M. Muraleeharan, Rani B. Menon, and Anuradha Illendula University of Mississippi, Department of Medicinal Chemistry, University, MS 38677 .

ABTRACT Emergence of drug resistant strains of P. falciparum has necessitated the rapid development of new drug candidates to counter the malaria epidemic. Artemisinin (1), a sesquiterpene endoperoxide isolated from the plant Artemisia annua, has been shown to act on drug resistant strains of the parasite, and therefore has become the center of attention in drug development efforts against malaria. Three-dimensional QSAR studies of over 200 artemisinin analogs have shown that chemical modification at the C-9 position of artemisinin could improve its anti-malarial potency. Our efforts have also unraveled promising antileishmanial activities of certain artemisinin analogs. Stereo-electronic requirements for antileishmanial activity correlated well with their anti-malarial action. Our synthetic strategy involves a radical induced Michael addition of various arylalkyl or alkyl bromide synthons to artemisitene (2) as the key step.

175


POSTER ABSTRACTS 59

ʺAnalysis Of The Effect Of Sodium Nitroprusside On The Heart Rate With Hilbert Transformʺ

Ernest D. Rufus1,2,4, Scott D. Crymble2,4, Devkant S. Gandhi2,4, Benjamin P. Hartenbower2,4, Adrienne R. Minerick3,4, Ph.D., Robert E. Meyer5, D.V.M., A.C.V.A. 1 Conference Presenter, 2 Principal authors, 3 Principal Investigator 4 Mississippi State University, Dave C. Swalm School of Chemical Engineering, Mississippi State, MS 39762; 5 Mississippi State University, College of Veterinary Medicine, Mississippi State, MS 39762 Abstract In this project, we examined arterial pressure versus time data and extrapolated additional information by means of the Hilbert transform. R. E. Meyer, D.V.M., A.C.V.A., provided six comma delimited (csv) files performed by The Department of Anatomy, Physiological Sciences, and Radiology at North Carolina State University in conjunction with the Duke University Medical Center. The experiment initiated with the anesthetization of six female Fischer 344 rats with sodium pentobarbital (50 mg kg-1). Afterwards, experimenters implanted a 0.1-mm3 tumor (R3230Ac Rat Mammary Adenocarcinoma) in these rats with a cutaneous window chamber for observation of the arterioles entering the tumors. After implantation, the tumors were given 7-9 days to grow to 2-3 mm in diameter and the rats were cannulated for infusion of sodium nitroprusside or saline (control group) and measurement of the arterial blood pressure. Sodium nitroprusside (SNP) or saline was infused intravenously into the femoral arterial vein because of the rapid degradation of the SNP. On the other hand, the femoral arterial pressure was measured using a transducer attached the catheter. Originally, the pressure versus time data was collected to determine the average arterial blood pressure drop in a chemically infused Fischer 344 rat. According to A.R. Minerick’s “Confirmation of Venous Pressure Driven Cardiac Output from Dynamic Synchronization Analysis” article, Fourier analysis techniques are insufficient in describing the dissimilar low and high frequency time scales. However, analysis of the time scales could provide inferred additional information if the scales could be separated. Fortunately, the Hilbert transformation function can separate the analytical signal into real and complex components. This separation allowed an analysis to ensue and some relationships between these components correlate to anatomical responses such as the heart rate. Since the data sets were enormous, it was advantageous to use a computer software program with adequate memory capability. We used the interactive software system MATLAB to handle our matrix operations and produce corresponding graphs and figures. MATLAB numerically computed the Hilbert transformation of the pressure matrix and any relationships between it and the real component. Because of the large data set, the relationships between the Hilbert transformation and its real components are best represented in the form of graphs. These graphical representations are produced from simple mathematical expressions and plotted in the time domain. The arctangent of the imaginary component by the real component is defined as the instantaneous phase, the shift of the Hilbert transform (imaginary portion) from the real portion. Since the original pressure matrix was enormous, the instantaneous phase matrix was similarly massive. Because the instantaneous phase was available, the instantaneous frequency was calculated by the change of the instantaneous phase with respect to time. For the high frequency signal, the instantaneous frequency directly correlated with the heart rate. These results could impact our understanding of how SNP functions in the rat’s nervous system and subsequently predict whether an autonomic response will occur.

176


POSTER ABSTRACTS 60

ʺSynthesis And Characterization Of Novel Indazole-4,7-Dione Derivatives As Potential Anticancer Agentsʺ Solomon Berhe, and Oladapo Bakare* Howard University, Department of Chemistry, Washington, DC 20059 Abstract

The limited utilization of numerous anticancer agents currently in use has called for the development of a new generation of anticancer agents that are effective against multiple-drug-resistance (MDR) cells and are less toxic to normal body cells. The pyrrolo-[4,3,2-de]quinoline skeleton is the backbone of several cytotoxic marine alkaloids such as the discorhabdins, batzellins, isobatzellins, prianosins, wakayin, damirones, and the makaluvamines which are also reported to be topoisomerase II inhibitors. In our drug design and discovery program, we have designed the synthesis of several aza analogs with the pyrazolo-[5,4,3-de]quinoline skeleton as potential anticancer agents. In our preliminary work, we have synthesized novel indazole-4,7dione analogs as potential intermediates to the pyrazolo-[5,4,3-de]quinoline derivatives. These intermediates are also of interest in our prostate cancer-screening program and their synthesis and characterization is presented in this paper. Nitrosation of tetrahydro-2-pyrimidone furnished N-nitrosotetrahydro-2pyrimidone which reacted with potassium methoxide in methanol to generate 3-(N-carbomethoxyamino)-1diazopropane. The in-situ cycloaddition of the diazopropane intermediate with appropriate benzoquinone and naphthoquinone derivatives in a mixture of THF/Et2O at room temperature furnished the corresponding indazole-4,7-dione derivatives. The compounds obtained were characterized by infrared spectroscopy (IR), 1H- and 13C-NMR spectroscopy.

61

ʺThe Effects Of Monomeric Functionality And Composition On Properties Of Thiol-Ene Filmsʺ Tolecia Clark 1, Charles Hoyle *2, Sergei Nazarenko 2, Brian Olson 2, Luke Kwisnek 3

1

University of Southern Mississippi, Dept. of Chemistry and Biochemistry, Hattiesburg, MS 39406 2 University of Southern Mississippi, Dept. of Polymer Science, Hattiesburg, MS 39406 3 Pennsylvania State University, Plastics Engineering Technology, Erie, PA 16510

Abstract The purpose of this study is to understand the influence of the thiol and ene monomers on the polymer crosslink formation, polymerization kinetics, and physical properties of films when monomer functionality increases and thiol:ene composition varies. Multifunctional thiols (fthiol = 2, 3, 4, 6, 9, and 12) and multifunctional allyl ethers (fene = 2 and 3) are copolymerized by irradiation using a medium-pressure UV lamp source. Highly functional thiols (fthiol = 6, 9, and 12) are synthesized by an amine-catalyzed thiol Michael addition reaction using commercial multithiols and multi-acrylates. Polymerization parameters, such as polymerization rates and percent conversions, are measured by photo-differential scanning calorimetry and real-time FTIR. Glass transition temperatures are measured by dynamic thermal mechanical analysis and differential scanning calorimetry. Additionally, material toughness and moduli are measured by Instron.

177


POSTER ABSTRACTS Preliminary results show that polymerization rates, and glass transition temperatures (Tg) increase when the functionalities of thiol and allyl ether monomers increase, although greater changes in polymerization kinetics and film properties occur when allyl ether functionality increases. Polymerization rates and film properties are optimal when films are composed of equal molar thiol:ene compositions (based upon functionality). Percent conversions are relatively high for copolymerizations of highly functional thiols with each multifunctional allyl ether having conversions of approximately 100%. High percent conversions indicate that a loose crosslinked network is formed. This loose network can be attributed to localized events known as loopings, which delay the gel effect and reduce effective crosslink density.

62

"Optimization Of Insitu Chemical Oxidation Via The Elucidation Of Key Mechanistic Processes Impacting Technology Maturation And Development Of Effective Application Protocol" Krystle D. Roberts, Dr. Mark E. Zappi*, John M. Harden, Dr. W. Todd French

Mississippi State University, Environmental Technology Laboratory, Dave. C. Swalm School of Chemical Engineering, Mississippi State, MS, 39762 Abstract Over the past several years, insitu chemical oxidation (ISCO) has become a viable remediation option for the treatment of organic pollutants. This process involves the application of chemical oxidizers (for example, Fenton’s Reagent and ozonation) into soil resulting in the degradation of pollutants within a contaminated aquifer. While insitu chemical oxidation has recently been proven to be both economically and technically feasible for some sites, little research has been directed towards the understanding of functioning mechanisms and soil-oxidizer-pollutant interactions that dictate both the economic and technical performance of the process from site to site. Because of these current limitations, this research was undertaken to address this lack of knowledge related to ISCO application. The results of this effort are being used to develop design guidance and application protocols for ISCO. Using past research, several key known oxidizer scavengers were selected and soil specimens collected from across the US that have extremely high levels of one of the targeted scavengers and low levels of the others. This allows the project team to focus on which scavenging species is problematic to soil remediation using ISCO. Soil types under evaluation include ozonated filter sand (control), a high iron content soil, a high calcium content soil, a high organic content specimen, a biologically stimulated soil, a high pH soil, and an “average” soil. Each soil specimen is tested using both batch slurry reactors and packed columns. The following parameters are measured to evaluate soil-oxidizer compatibility impacts: soil bacterial levels, sorption capacity, permeability, oxidizer concentrations, and humic fraction composition and concentration. Recent work has been performed to determine the rate of oxidizer degradation within soil and groundwater matrices. Additional studies have been performed to determine the effects of oxidation on the permeability of the soil, adsorption characteristics of the soil, and biomass populations within the soil.

178


POSTER ABSTRACTS ʺIsothiocyanates as Natural Mechanism-Based Inhibitors for Chemoprevention,ʺ

63

Tiffany Taylor1, Jerlinda Ross2, Pamela M. Leggett-Robinson*1, Monica Frazier*2, and Roberta Troy*3 Tuskegee University, 1Department of Chemistry, 2Center for Biomedical Research/RCMI 3Department of Biology, Tuskegee, AL 36088 Abstract Isothiocyanates (ITCs) found in vegetables such as cabbage and broccoli, bind covalently to cellular proteins and exhibit chemo preventive activity when administered either prior to or during exposure to carcinogens.1 The effect of ITCs is dependent on the methods used to isolate the extracts, the specific carcinogen studied, and the target tissue involved.2 The goals of this research are to isolate natural mechanism-based inhibitors (NMBI) in various vegetables and to advance the knowledge of NMBIs in prostate and breast cancer cells. 1 2

Moreno, R.; Kent, U.; Hodge, K. and Hollenberg, P. Chem.Res. Toxicol. 1999, 12, 582-587. Goosen, T.; Kent, U.; Brand, L. and Hollenberg, P. Chem. Res. Toxicol. 2000, 13, 1349-1359.

64

ʺModification of Carbon Nanotubes Using Primary Alcoholsʺ Jerlinda Ross1, Pamela M. Leggett-Robinson*1, Mohamed A. Abdalla2 and Derrick Dean*2 Tuskegee University, Department of Chemistry, Tuskegee, AL 36088 University of Alabama at Birmingham, Department of Materials Science and Engineering Birmingham, AL 1

2

Abstract Polymer/carbon nanotube materials have received attention from researchers due to the versatility of their applications. One key point in improving the properties of these materials is the chemical modification of the surface of the nanotubes. Chemical modifications have been shown to enhance the interaction of the nanotubes with the polymer and serve as a polymerization site for several polymer systems. Thus far, modifications to the nanotube surface have been limited to carboxylic acids due the convenience and variety of chemical reactions that can be conducted with carboxylic acids. Primary alcohols serve as intermediates in a host of organic reactions. The incorporation of primary alcohols to the surface of the nanotubes will widen the range of polymeric systems that can utilize these nanotubes as reinforcements. In this study, a novel approach for incorporating primary alcohols will be assessed.

65

ʺMetal(I) and Metal(II) Complexes of a New Water-Soluble Porphyrin,ʺ

Lee Jackson, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo, and George N. Williams Savannah State University, Department of Natural Sciences and Mathematics, Savannah, GA Abstract Zinc(II), cadmium(II), mercury(I), Mercury(II) and silver(I) have been successfully incorporated into a new water-soluble porphyrin, trikis(pentafluorophenyl)-4-sulfonatophenyl porphyrin at room temperature. In

179


POSTER ABSTRACTS water, the zinc-porphyrin complex formed is independent of anions(OAc- , NO3- , I-) with absorbance maxima at 424, and 556 nm. Mercury(I), mercury(II), cadmium(II), and silver(I) incorporation into this porphyrin under similar conditions could not be done due to precipitation. In methanol, however, such complication was avoided. Zinc(II) porphyrin complex formed is independent of anions with absorbance maxima at 421, and 555 nm. Cadmium(II) porphyrin complex shows absorbance maxima at 430, 566 and 608 nm while mercury(I) and mercury(II) porphyrin shows absorbance maxima at 427 and 565 nm. Silver(I) porphyrin formed is independent of anions with absorbance maxima at 422 and 539 nm. This new porphyrin is capable of differentiating zinc(II), cadmium(II), mercury(II) and silver(I) as the absorbance maxima are uniquely different.

66

ĘşMetal Ions Interactions with Sulfonated Meso- Tetrakis (1,4-Benzodioxanyl) PorphyrinĘş Shannon Watts, Adegboye O. Adeyemo*, Jannie Baker, Olarongbe Olubajo, and George N. Williams Savannah State University, Department of Natural Sciences and Mathematics, Savannah, GA Abstract

Recently, we reported the synthesis, purification, isolation and uv-visible spectral characterization of a new porphyrin derived from 1,4-benzodioxan-6-carboxaldehyde. This porphyrin has been successfully sulfonated very quickly and at room temperature. We now report uv-visible spectral characterization of Zn2+, Cd2+, Hg+1 , Hg2+ , Ag+1 , Ca2+ , Co2+, Cu2+ and Mn2+ porphyrin complexes. Significant spectral changes were observed immediately upon addition of metal salts to water solution of this new porphyrin. Zinc, cadmium, mercury, silver ions were incorporated very fast while it took a longer time to observe any spectral changes for calcium, copper and cobalt ions.

180


R1208 NOBCChE Corp Ad3b

2/10/05

9:08 AM

Page 1

Choosing Roche

We all dream

of doing big things.

Solving important problems. Making a difference. Improving lives. At Roche, we have the resources, vision and passion to transform these dreams into reality. Since 1905, our innovative medicines have made a difference in the lives of hundreds of millions in the U.S. and around the globe. We're all committed to another century of successful endeavors to help prevent, diagnose and treat diseases, advancing the cause of human health. With an integrated approach to healthcare focused on diagnostics and pharmaceuticals, Roche addresses the prevention, diagnosis, treatment, and monitoring of diseases including cancer, hepatitis C, HIV/AIDS, metabolic and respiratory diseases, and transplantation, among others. And our robust pipeline of innovative new products offers an expanding spectrum of opportunities for an exciting career at Roche.

Roche strives to be an employer of choice and to creating an environment where everyone can make a unique and valued contribution, continually develop their capabilities, and be appreciated and rewarded for their individual and collective contributions. Our company has been recognized for providing an environment that fosters professional growth, personal health and work-life balance by a number of organizations and publications. In 2005, Roche, which celebrates its U.S. Centennial, was named one of Fortune's 100 Best Companies to Work For in America. For more information, visit us at: www.roche.us

Roche NOBCChe Activities SEMINAR: The Drug Discovery Process in Preclinical Research and Development Roche chemists Nicole Jackson and Sherrie Pietranico Monday, March 22 from 3:30 – 5:30 PM Tuesday, March 23 from 9:00 – 11:00 AM RESUME WORKSHOP Nicole Jackson and Sherrie Pietranico Monday from 1:30 – 3:30 PM Tuesday from 8:00 – 9:00 AM

Roche is an Equal Opportunity Employer committed to workplace diversity.


NATIONAL CONFERENCE PLANNING COMMITTEES Mr. Robert L. Countryman, CMP General Chairman and Hotel Liaison San Diego Chapter San Diego, CA

Dr. Marlon Walker Awards National Institute of Standards & Testing Gaithersburg, MD

Ellen Hill Vice Chairman Lawrence Livermore Nat聞l Labs. (Retired) Huntsville, AL

Ms. Sandra Graff Hospitality & Special Services San Diego Chapter San Diego, CA

Ms. Sandra Parker Career Fair Midland Chapter Dow Chemical Company Midland, MI

Ms. Ella Davis Registration Greater Delaware Valley Chapter Pfizer Center Square, PA

Dr. John Harkless Techical Program Howard University Washington, DC

Dr. Gloria Thomas Science Bowl and Science Fair Mississippi State University Mississippi State, MS

Dr. Ronald Lewis Health Symposium San Diego Chapter San Diego, CA

Mr. Steven Thomas Website Manager Michigan State University East Lansing, MI

Ms. Jacqueline Calhoun Publicity & Conference Evaluation Washington DC Metropolitan Chapter National Institute of Standards & Testing Gaithersburg, MD

Dr. Anthony Dent Printed Materials Greater Delaware Valley Chapter PQ Corporation, Retired Dresher, PA

Ms. Linda Davis Teachers Workshop Committee for Action Program Services Dallas, TX

Dr. Victor McCrary Forums, Workshops, Speakers JHU Applied Physics Lab Baltimore, MD

Darrell Davis Corporate Sponsorship Dallas Chapter Dallas, TX

183


NATIONAL CONFERENCE PLANNING COMMITTEES Awards Committee Dr. Albert N. Thompson, Jr., Co-chair Spelman College Atlanta, Georgia

Technical Committee Dr. Marlon L. Walker NIST Gaithersburg, MD 20899

Dr. Iona Black Yale University New Haven, CT

Dr. Alvin P. Kennedy Morgan State University Chemistry Department, Chair Baltimore, MD 21251

Dr. Tommie Royster Kodak Rochester, New York Registration Committee Ms. Felicia Barnes-Baird Greater Delaware Valley Chapter Rohm and Haas Company Spring House, PA Ms. Dorothy Haynes Greater Delaware Valley Chapter Rohm and Haas Company Spring House, PA Ms. Brenda Brown NOBCChE Volunteer San Diego Unified School District San Diego, CA Shirley Hall San Diego Chapter San Diego City Government San Diego, CA Ms. Celeste Tyus NOBCChE Volunteer San Diego Unified School District San Diego, CA

Dr. Douglas Willis Texas Southern University Houston, TX 77004 Dr. Jesse Edwards Florida A & M University Tallahassee, FL 32307 Dr. Malika Jeffries-El Carnegie-Mellon University Department of Chemistry Pittsburgh, PA Mr. Murphy Keller U.S. Department of Energy National Energy Technology Laboratory Pittsburgh, PA Dr. Shawn Abernathy Howard University Washington, DC Ms. Shea Jones EPA Waste Management Division Atlanta, GA Dr. Vernon Morris Howard University Washington, DC

184


NATIONAL CONFERENCE PLANNING COMMITTEES Ms. Tokiwa Smith Spelman College Atlanta, GA 30314

Science Bowl and Science Fair Dr. Zakiya Wilson, Vice-Chair Louisiana State University Baton Rouge, LA

Ms. Natasha D. Henry Environmental Science Institute Florida A & M University Tallahassee, FL 32307

Dr. Adrienne Minerick Mississippi State University Mississippi State, MS

Dr. Latoya Myles NOAA Turbulence and Diffusion Div. Oak Ridge, TN 37831

Mr. Weldon Hall California Department of Health Berkeley, CA

Courtney Tucker UIUC Student Chapter University of Illinois, Urbana Champaign Urbana, IL 61801

Dr. Victor McCrary JHU Applied Physics Laboratory Baltimore, MD

Finance Mr. Dale Mack Atlanta Metropolitan Chapter Atlanta University Center Atlanta, GA Audio Visual Aids Weldon Hall, Chair California Department of Health Berkeley, CA

Health Symposium Betty S. Pace, MD, Co-chair University of Texas at Dallas Dallas, TX

Dr. Anthony Dent Cheyney State University of PA Cheyney, PA 19319 Dr. John Harkless Howard University Washington, DC 20059 Dr. Perry Kirklin Mobil Oil (Retired) Lakeland FL Teachers Workshops Ms. Joyce Chesley-Dent NOBCChE Volunteer Dresher, PA Ms. Sheila Turner NOBCChE Volunteer San Diego, CA

185


NATIONAL CONFERENCE PLANNING COMMITTEES Ms. Barbara Newton NOBCChE Volunteer Orlando, FL

Proceedings Dinah R. Campbell Chair Ewing, NJ

Career Fair Exhibitors Mr. Darrell Davis Drug Enforcement Administration Dallas, TX

Dr. Alison Williams NY/ NJ Chapter Princeton University Princeton NJ

Ms. Charsetta Grant Eli Lilly Indianapolis, IN

Gwen Evans San Francisco Bay Area Workforce Concepts, Inc. Danville, CA

Ms. Kiana Hamlett Drug Enforcement Administration Dallas, TX Ms. Mia Laws Northern Delaware Chapter Dupont Company Wilmington, DE

Dr. Tommie Royster Rochester Chapter Kodak Rochester NY

Ms. Rashida Weathers Drug Enforcement Administration Dallas, TX Mr. Henry Beard NOBCChE Volunteer Philadelphia, PA

186


The Westin Century Plaza welcomes The National Organization of Black Chemists and Chemical Engineers.

The Westin Century Plaza is proud to support the NOBCChE.

05CPH016 Blackchemists

1

2/18/05, 3:21 PM


NOBCChE 32nd Annual Conference of NOBCChE | Orlando, Florida | March 20 - 26, 2005  

The 32nd Annual Conference of the National Organization for the Professional Advancement of Black Chemists and Chemical Engineers. "NOBCChE...

Read more
Read more
Similar to
Popular now
Just for you