Chemistry International

CHEMISTRY International

The News Magazine of the International Union of Pure and Applied Chemistry (IUPAC)

All information regarding notes for contributors, subscriptions, Access, back volumes and orders is available online at www.degruyter.com/ci

Managing Editor

Fabienne Meyers

IUPAC, c/o Department of Chemistry

Boston University

Metcalf Center for Science and Engineering 590 Commonwealth Ave. Boston, MA 02215, USA

E-mail: edit.ci@iupac.org

Design/Production: Stuart Wilson

Chemistry International (ISSN 0193-6484) is published 4 times annually in January, April, July, and October by De Gruyter, Inc., 121 High St., 3rd Floor, Boston, MA 02110 on behalf of IUPAC. See https://iupac.org/what-we-do/journals/chemistry-international/ or https://www.degruyter.com/ci for more information.

ISSN 0193-6484, eISSN 1365-2192

Cover: A recent project of the Chemistry and Human Health Division examined the trend in financial support for medicinal chemistry projects in academia over the last decade. The study underscores an urgent need to address the funding crisis in medicinal chemistry. The authors advocate for immediate intervention by funding agencies, government bodies, and industry leaders to reinstate financial support and safeguard the future of medicinal chemistry. Without corrective measures, the authors argue that the decline in funding could have long-term consequences on drug discovery, pharmaceutical innovation, and global healthcare outcomes especially within developed countries. See full story, p. 37.

and Future by Zhigang Shuai

and OPCW—from reluctant support to active collaboration

by Leiv K. Sydnes

on IUPAC Italian Young Observers by Brian Li, Matteo Guidotti,

Paola Albanese, Francesca Cardano, Luca Consentino, Sara Fulignati, Tommaso Giovannini, Roberto Nisticò, Emilia Paone, Giacomo Trapasso

Treasurer’s Column IUPAC finances going forward

by Wolfram Koch

This is my second Treasurer‘s Column (my first appeared in the third issue of 2022; https://doi. org/10.1515/ci-2022-0301) and it is also my last one. After serving the Union as Treasurer for four years I decided not to run for a possible second term. The reason for this is that after almost 22 years of service, I retired from my post as Executive Director of the German Chemical Society in August of last year. On the one hand, this means that I no longer have access to the back office support from my society. On the other hand, with my retirement also the focus of my activities has changed. I am very glad to see that two very capable candidates for my successor as Treasurer were nominated by the NAOs from the UK and Germany and, whoever is being elected by Council, I am confident that the finances of the Union will be in good hands. Not the least also due to the invaluable support of the Finance Committee under its Chair (and former Treasurer) Colin Humphris. During my term, I enjoyed the interaction with the Finance Committee very much and want to take this opportunity to express a big Thank You!

The budget of this biennium, decided by Council in 2023 in The Hague, was designed to be balanced, in contrast to the previous one which was characterized by an unhealthy deficit of more than USD 250,000. The consequence was that during this biennium much less funds were available for new projects, which of course had a negative impact on the scientific activities of the Union. I fully understand that this led to a lot of disappointment among our volunteers in the Divisions and Standing Committees. Looking at the financial performance as of today, I can say the IUPAC did well. We are in most aspects on budget or even below budget. There are several reasons for that. We learned our lesson from the Covid times and spent less money on travelling because a major part of the meetings was done online. As an example, the biweekly meetings

among the Officers were almost all online and also the Finance Committee met only online. The same applied to most of the meetings of the Executive Board and the Science Board. This saved a lot of money, a lot of time and a lot of CO2! Another reason was the fact that after a two-year tenure with the Union our Executive Director Dr. Greta Heydenrych departed end of last year and Dr. Fabienne Meyers, our long-serving Associated Director assumed the role of interim Executive Director. I want to thank both, Greta as well as Fabienne for all the support I received as Treasurer. All these savings allowed an extra allocation of USD 4,000 to every Division and Standing Committee. Also, our investments developed successfully, thanks to the guidance of the Finance Committee. Finally, even though this does not have an immediate impact on our financial health, I should mention the USD 1 million donation that the Untion received for the Soong prize, which will be awarded for the first time at the upcoming World Chemistry Congress in Kuala Lumpur.

The budget for the next biennium which I will present to Council in Kuala Lumpur includes no big changes from the previous one. The main reason for this is that the budget is highly provisional. In the coming biennium the Union will most probably undergo significant changes. In particular the relocation of the secretariat which is planned for next year will lead to significant savings of the administrative expenses. However, as I write this contribution it is not yet clear what exactly will happen and what the monetary consequences will be. In any case, we assume that soon after the decision is made by Council where the new secretariat will be located and which boundary conditions will apply, an updated budget will be presented to an extraordinary meeting of Council. But already in the current proposal we are able to increase the funds for new projects significantly. Not the least because on recommendation of the Finance Committee the financial liabilities of existing projects will not be carried over to the next budget but will be covered by the reserves.

At the end of my tenure as Treasurer I am happy to handover to my successor a house in good order and look back with pride that I was allowed to serve the Union.

Wolfram Koch <wkoch@iupac.org> is IUPAC Treasurer since January 2022. From 2002 until the end of 2020, he was Executive Director of the Gesellschaft Deutscher Chemiker (GDCh, German Chemical Society) in Frankfurt, the German NAO to IUPAC. ©GDCh

Quantum Theory and Quantum Chemistry: Past, Present and Future

by Zhigang Shuai

Chemistry is about the atom and molecule, motion of which follows quantum mechanics established 100 years ago by Werner Heisenberg, inspired by a number of milestone findings including Max Planck’s first quanta concept for black body radiation, Albert Einstein’s photon concept for photoelectric effect and oscillator quanta for heat capacity of solid, and Niels Bohr’s quantum model for atomic structure. Independently, inspired by Louis de Broglie’s particle-wave duality, Erwin Schrödinger established wave mechanics, which is shown to be equivalent to Heisenberg’s mechanics by Paul Dirac. The latter further established the relativistic quantum mechanics, and then claimed that the underlying physical laws necessary for the mathematical theory of a large part of physics and the whole of chemistry are thus completely known, and the difficulty is only that the exact application of these laws lead to equations much too complicated to be soluble. In the occasion of celebrating The International Year of Quantum Science and Technology (IYQ 2025, quantum2025.org), we will present a heuristic review of the development of quantum theory and its application to chemistry, namely, quantum chemistry (QC). Then, we will discuss some of the current challenges and the future developments, especially on the quantum computing for quantum chemistry (QCQC).

I. Past

Past

Quantum theory is completely different from classical physics. First, in 1900, Max Planck made a stunning hypothesis that the blackbody emission spectrum can be explained by energy quanta, E=nhv where n=1, 2, 3, … and v is the frequency of light and most importantly h is a constant named after him, h=6.63×10-34 J×s as carved in his gravestone. Such hypothesis was soon employed by Albert Einstein to explain the low temperature behavior of the heat capacity which strongly deviate the Dulong-Petit law from classical statistical thermodynamics. In the same year, Einstein employed Planck’s concept of light quanta to explain the photoelectric effect, first discovered by Heinrich Hertz. Einstein’s photoelectric equation is simply expressed as:

Namely, the emission spectra of a hydrogen atom were found to be discrete lines such as Balmer series, while classical theory would predict continuous curves. From Rutherford’s α-particle scattering experiment (Nobel Prize in chemistry 2010), there must exist a positively charged nucleus with a radius about five orders of magnitude less than that of atom. This looks like a planet model of classical physics orbiting the sun. A milestone in the development of quantum theory is the Congrès Solvay taking place in the Hotel Metropole in Brussels in 1911. Chaired by the great physicist Hendrik Lorentz, a group of the 18 greatest minds at that time discussed “Radiation and the Quanta.” The second youngest participant Albert Einstein presented his work on “The Problems of Specific Heat.”

“Radiation and the Quanta”. The second youngest participant Albert Einstein his work on “The Problems of Specific Heat”

In 1913, Niels Bohr suggested his atomic model assuming that nucleus and can only stay in stable orbitals associated with definite electron can only jump between these orbitals and the difference of energy

In 1913, Niels Bohr suggested his atomic model assuming that (i) electrons orbit nucleus and can only stay in stable orbitals associated with definite energy; (ii) and electron can only jump between these orbitals and the difference of energy equals to hv. Most importantly, using classical physics and imposing his famous correspondence principle, he successfully derived an expression for hydrogen atom with quantized energy level:

Most importantly, using classical physics and imposing his famous principle, he successfully derived an expression for hydrogen atom energy level:

. This great formula expressed optical spectrum of hydrogen atom with fundamental physical constan mass and charge as well as Planck’s constant. In addition, he and Arnold derived that the angular momentum of electron in atom is quantized:

Quantum theory is completely different from classical physics. First, in 1900, Max Planck made a stunning hypothesis that the blackbody emission spectrum can be explained by energy quanta, where n=1, 2, 3, … and n is the frequency of light and most importantly h is a constant named after him, h=6.63´10-34 J s as carved in his gravestone. Such hypothesis was soon employed by Albert Einstein to explain the low temperature behavior of the heat capacity which strongly deviate the DulongPetit law from classical statistical thermodynamics. In the same year, Einstein employed Planck’s concept of light quanta to explain the photoelectric effect, first discovered by Heinrich Hertz. Einstein’s photoelectric equation is simply expressed as:

where the left side is the kinetic energy of the emitted electron and F on the right-hand side is the work-function of metal. If these are regarded as problems in physics, then the difficulty in understanding the atomic structure and spectroscopy could be considered as chemistry. Namely, the emission spectra of hydrogen atom were found to be discrete lines such as Balmer series, while classical theory would predict continuous curves. From Rutherford’s a-particle scattering experiment (Nobel Prize in chemistry 2010), there must exist a positively charged nucleus with a radius about five Enhn = 12 2 ee mvhn = -F where the left side is the kinetic energy of the emitted electron and Φ on the right-hand side is the work-function of metal. If these are regarded as problems in physics, then the difficulty in understanding the atomic structure and spectroscopy could be considered as chemistry.

3, with a fancy name called “space quantization” Unfortunately, failed for hydrogen molecule or helium atom. In classical physics, angular is continuous vector. Bohr ’s theory achieved great success and had interest in the science community to design experiment for verification Stern and Walter Gerlach had designed an apparatus to measure the of (silver) atomic beam under inhomogeneous magnetic field. They were demonstrate “space quantization” to show only two spots appeared instead of uniformly distributed line predicted from classical physics, of atomic magnetic moment is random. It turned out the two spots existence of electron spin, an intrinsic quantum number for any microscopic

Spin provided a natural explanation of the anomalous Zeeman effect 4 222 0 (4)2 n Eme n pe =! . This great formula expressed the mysterious optical spectrum of hydrogen atom with fundamental physical constant such as electron mass and charge as well as Planck’s constant. In addition, he and Arnold Sommerfeld derived that the angular momentum of electron in atom is quantized: L = nħ, n = 1, 2, 3, … with a fancy name called “space quantization.” Unfortunately, Bohr’s theory failed for hydrogen molecule or helium atom. In classical physics, angular momentum is a continuous vector. Bohr’s theory achieved great success and had aroused strong interest in the science community to design experiment for verification. In 1919, Otto Stern and Walter Gerlach had designed an apparatus to measure the magnetic moment of (silver) atomic beam under inhomogeneous magnetic field. They were so excited to demonstrate “space quantization” to show only two spots appeared in the screen, instead of uniformly distributed line predicted from classical physics, as the orientation of atomic magnetic moment is random. It turned out the two spots demonstrated the existence of electron spin, an intrinsic quantum number for any microscopic particle. Spin provided a natural explanation of the anomalous Zeeman effect puzzling many physicists including Wolfgang Pauli, the latter suggested exclusion principle, essential for understanding the structure of periodic table of chemical elements. This also helped Enrico Fermi and Paul Dirac to establish quantum statistics for particles

Hed

Enrico Fermi and Paul Dirac to establish quantum statistics for particles with spin half integer (Fermions), along with Satyendra Bose and Albert Einstein for particles with spin integer (Boson). The concept of identical particle is essential for quantum world.

Quantum Theory and Quantum Chemistry:

Stern-Gerlach experiment is not only the greatest atomic physics experiment, but also

the door of preparation of quantum state, a precursor to quantum information to influence our future We will come back to this point later.

with spin half integer (Fermions), along with Satyendra Bose and Albert Einstein for particles with spin integer (Boson). The concept of identical particle is essential for quantum world. The Stern-Gerlach experiment is not only the greatest atomic physics experiment, but also opens the door of preparation of quantum state, a precursor to quantum information science and technology to influence our future. We will come back to this point later.

-Gerlachexperiment[1]

result from matrix mechanics. This was the birth of wave mechanics, which is mathematically much easier to handle and to extend to many different problems. It was soon proved by Dirac to be equivalent to Heisenberg’s matrix formulation of quantum mechanics developed in 1925 [2], for which the General Assembly of United Nation proclaims the year of 2025 as The International Year of Quantum Science and Technology to celebrate 100 years of the establishment of quantum mechanics. Heisenberg later established the “uncertainty principle” to shock the world and laid the foundation of Copenhagen’s orthodox of quantum mechanics along with Max Born’s statistical interpretation of wavefunction [4] which has caused a century-long debate on the nature of quantum world.

Present

stands on a par with Planck’s formula E=hν and Einstein’s E = mc2 , i.e., three great formulae in physics. Then, Schrödinger wrote down an equation to describe the matter wave, known as Schrödinger Equation in 1926 under the enlightenment of de Broglie’s formula and Planck’s formula, which reads for one-dimension:

22()(,)xtd Vxxt tmdx æö - + Y ç÷ èø !

The secretary for the first Congrès Solvay was Maurice de Broglie from Paris, who inspired his younger brother Prince Louis de Broglie with the fascinating while mysterious progresses in quantum physics. In 1924, Louis suggested particle-wave duality, namely, a particle with momentum p=mv be associated with a wave with wavelength . de Broglie’s formula stands on a par with Planck’s formula E=hn and Einstein’s E=mc2 , i.e., three great formulae in physics. Then, Schrödinger wrote down an equation to describe the matter wave, known as Schrödinger Equation in 1926 under the enlightenment of de Broglie’s formula and Planck’s formula, which reads for

22 2 (,)()(,) 2 xtd iVxxt tmdx æö ¶Y = - + Y ç÷ ¶ èø ! !

one-dimension: h p l = . de Broglie’s formula

22 2()(,) xtd Vxxt tmdx æö + Y ç÷ èø (,)() ikxtxte -w Y =

2 wpn =

22 2 (,)()(,) 2 xtd iVxxt tmdx æö ¶Y = - + Y ç÷ ¶ èø ! !

(,)() ikxtxte -w Y =

(,)(,) hxtExt nY = Y

22 (,)(,)(,)22 hpxtxtExt mm Y = Y = Y

(,)() ikxtxte -w Y =

(,)(,) hxtExt nY = Y

22 (,)(,)(,)22 hpxtxtExt mm = Y = Y

2 k p l = 2 wpn =

In fact, for the case of free particle (V=0) and plane wave (where , ), then left hand side equals to and the right-hand side equals to . The former corresponds to Planck’s formula and the latter corresponds to free-particle energy with de Broglie’s formula.

(,)() ikxtxte -w Y =

40 Ve r pe =. The former corresponds to Planck’s formula and the latter corresponds to free-particle energy with de Broglie’s formula. Schrödinger solved his equation for a hydrogen atom ( particle (V=0) and plane wave

(,)() ikxtxte -w Y =

In fact, for the case of free particle (V=0) and plane wave , ), then left hand side equals to and right-hand side equals to . The former corresponds to Planck’s formula and the latter corresponds to free-particle energy with Broglie’s formula.

40 Ve r pe =and the right-hand side equals to for the case of free particle (V=0) and plane wave ), then left hand side equals to and side equals to . The former Planck’s formula and the latter corresponds to free-particle energy with formula.

In fact, for the case of free particle (V=0) and plane wave =0) and plane wave side equals to and . The former corresponds to free-particle energy with ydrogen atom ( ), and he energy level. And applying the same harmonic oscillator, he could reproduce

2 k p l = 2 wpn = (,)(,) hxtExt nY = Y

2 40 Ve r pe =), then left hand side equals to

2 40 Ve r pe =(where

(,)(,) hxtExt nY = Y

22 (/)(,)(,)(,) 22 hpxtxtExt mm l Y = Y = Y

22 (/)(,)(,)(,) 22 hpxtxtExt mm l Y = Y = Y 2 40 Ve r pe = -

(,)(,) hxtExt nY = Y

22 (/)(,)(,)(,) 22 hpxtxtExt mm l Y = Y = Y

2 40 Ve r pe = - ), and he reproduced the famous Bohr’s expression for energy level. And applying the same linear second order differential equation for harmonic oscillator, he could reproduce Heisenberg’s

dinger solved his equation for hydrogen atom ( ), and he famous Bohr’s expression for energy level. And applying the same order differential equation for harmonic oscillator, he could reproduce result from matrix mechanics. This was the birth of wave mechanics,

Most working quantum scientists did not care about the century debate between Einstein and Bohr on the understanding of quantum mechanics. They just used it and made calculations. Such “shut up and calculate” strategy led Walter Heitler and Fritz London to postulate the variational wavefunction for a hydrogen molecule in 1928. This is the foundation of modern quantum chemistry. To calculate the electronic structure of many-electron atom and molecules, Douglas Hartree and Vladimir Fock suggested a mean-field approximation method in a self-consistent way already in 1929 with Slater’s anti-symmetrized multi-electron wavefunction ansatz where electron correlation is overlooked. Linus Pauling laid the foundation of chemical bonding theory in 1930’s with valence bond theory and orbital hybridization theory. Friderich Hund made three rules under his name to explain the electronic structure of many-electron atoms. Erich Hückel postulated the very first semi-empirical quantum chemistry Hamiltonian to describe hydrocarbon conjugated molecules in the 1930’s, followed by a series of improved parameterized models widely used even today, such CNDO, INDO, MNDO, AM1, PM-series, etc. In the 1950s, Clemens Roothaan was tired of fitting parameters for semiempirical quantum chemistry and decided to change the trend by developing the now known Hartree-FockRoothaan (HFR) equation, the starting point of “ab initio” quantum chemistry. The author happened to take a picture of a medieval stele in the Charles Bridge in Prague. It seems that this was the earliest appearance of “ab initio.” The latin word “ab initio” means “from the beginning”, namely, with the knowledge of chemical elements, one could obtain the molecular geometry and electronic structure as well as all the physical and chemical property. This is a certainly a formidable task,

Schrödinger solved his equation for hydrogen atom ( ), and he reproduced the famous Bohr’s expression for energy level. And applying the same second order differential equation for harmonic oscillator, he could reproduce Heisenberg’s result from matrix mechanics. This was the birth of wave mechanics,

This was the birth of wave mechanics,

hand side equals to and . The former latter corresponds to free-particle energy with for hydrogen atom ( ), and he expression for energy level. And applying the same for harmonic oscillator, he could reproduce mechanics. This was the birth of wave mechanics, to handle and to extend to many different

Schrödinger solved his equation for hydrogen atom ( ), and he reproduced the famous Bohr’s expression for energy level. And applying the same linear second order differential equation for harmonic oscillator, he could reproduce Heisenberg’s result from matrix mechanics. This was the birth of wave mechanics, which is mathematically much easier to handle and to extend to many different 22 2 (,)()(,) 2 xtd iVxxt tmdx æö ¶Y = - + Y ç÷ ¶ èø ! !

Figure1.SchemeofStern

Figure 1. Scheme of Stern-Gerlach experiment [1]

Quantum Theory and Quantum Chemistry:

not only challenging for the past but also for the future.

(Raymond Daudel, Per-Olov Löwdin, Robert Parr, John Pople and Bernard Pullman

Daudel, Per-Olov Löwdin, Robert Parr, John Pople and Bernard Pullman

John Pople and Bernard Pullman)

Molecular Science (IAQMS) in 1967 Mediterranean coast city for de Broglie, to molecular science. Through selecting provided a forum for international evaluation of the main developments, broad field of quantum molecular

(Raymond Daudel, Per-Olov Löwdin, Robert Parr, John Pople and Bernard Pullman founded the International Academy of Quantum Molecular Science headquartered in Menton, the favorite Mediterranean coast promote the application of quantum theory for molecular science. members and awarding annual medal, IAQMS has contact and collaboration as well as periodic evaluation of the main developments, advances and promising directions of research in science [5]

the International Academy of Quantum Molecular Science (IAQMS) in 1967 headquartered in Menton, the favorite Mediterranean coast city for de Broglie, to the application of quantum theory for molecular science. Through selecting and awarding annual medal, IAQMS has provided a forum for international and collaboration as well as periodic evaluation of the main developments, and promising directions of research in the broad field of quantum molecular ] wavefunction for N-electron system can be written as with variables. Due to the quantum superposition principle, the complexity in describing system increases exponentially with the number of particles in the exact full configuration interaction method ~ O(dN) . The success of quantum chemistry lies in mean-field approximation with scaling of O(N4) as a reasonable starting successive corrections for electron correlation treatments from perturbation cluster scaling of O(N5-8) A revolutionary development is density functional (DFT) by Walter Kohn, Pierre Hohenberg, and Lu Sham in the 1960’s, in which density with only three variables instead of wavefunction with 3N variables becomes the center of interest. Hohenberg and Kohn shown that only is enough to determine the ground state of quantum system. practical way to solve is through the Kohn-Sham equation, very similar to equation with exchange-correlation term in place of exchange term only. Theoretical physicists started the field of DFT beginning with local density

founded the International Academy of Quantum Molecular Science headquartered in Menton, the favorite Mediterranean coast city f promote the application of quantum theory for molecular science. members and awarding annual medal, IAQMS has provided a forum for international contact and collaboration as well as periodic evaluation of the main developments, advances and promising directions of research in the broad field of science [5]

The HFR equation became the main race horse for computational chemistry and the computational scaling with number of orbitals is N4. Subsequent developments include configuration interaction and its multi-reference self-consistent field formulation, perturbation expansion, coupled cluster expansion (now regarded as golden standard of quantum chemistry). From 1960 to 1990, John Pople had played a leading role in pushing the field forward by developing a series of algorithms to solve the molecular Schrödinger equation and establishing the most influential quantum chemistry computational package Gaussian which earned him a Nobel Prize in chemistry in 1998 [4]. Noting the essential role of quantum mechanics in solving chemical problem, under the inspiration and support from Louis de Broglie, five quantum chemists (Raymond Daudel, Per-Olov Löwdin, Robert Parr, John Pople and Bernard Pullman) founded the International Academy of Quantum Molecular Science (IAQMS) in 1967 headquartered in Menton, the favorite Mediterranean coast city for de Broglie, to promote the application of quantum theory for molecular science. Through selecting members and awarding an annual medal, IAQMS has provided a forum for international contact and collaboration as well as periodic evaluation of the main developments, advances and promising directions of research in the broad field of quantum molecular science [5].

be written as with principle, the complexity in describing number of particles in the exact full success of quantum chemistry lies in of O(N4) as a reasonable starting correlation treatments from perturbation development is density functional Lu Sham in the 1960’s, in which variables instead of wavefunction of interest. Hohenberg and Kohn ground state of quantum system. Kohn-Sham equation, very similar to place of exchange term only.

A wavefunction for N-electron system can be written as

12 (,,...,) Nrrr Y !!! with 3N variables. Due to the quantum superposition principle, the complexity in describing quantum system increases exponentially with the number of particles in the exact full configuration interaction method O(dN) . The success of quantum chemistry lies in the HFR’s mean-field approximation with scaling of O(N4) as a reasonable starting point plus successive corrections for electron correlation treatments from perturbation to coupled cluster scaling of O(N5-8). A revolutionary development is density functional theory (DFT) by Walter Kohn, Pierre Hohenberg, and Lu Sham in the 1960’s, in which electron density

() r r !

12 (,,...,) Nrrr Y

(Raymond Daudel, Per-Olov L wdin, Robert Parr, John Pople and Bernard Pullman) founded the International Academy of Quantum Molecular Science in 1967 headquartered in Menton, the favorite de Broglie, to promote the application of quantum theory for molecular science. Through selecting members and awarding annual medal, IAQMS a forum for international contact and collaboration as well as periodic evaluation of the main developments, advances and promising directions of research in quantum molecular science [5]

() r r !

with only three variables instead of wavefunction

12 (,,...,) Nrrr Y !!!

A wavefunction for N-electron system can be written as with 3N variables. Due to the quantum superposition principle, the complexity in describing quantum system increases exponentially with the number of particles in the exact full configuration interaction method ~ O(dN) . The success of quantum chemistry lies in the HFR’s mean-field approximation with scaling of O(N4) as a reasonable starting point plus successive corrections for electron correlation treatments from perturbation to coupled cluster scaling of O(N5-8) A revolutionary development is density functional theory (DFT) by Walter Kohn, Pierre Hohenberg, and Lu Sham in the 1960’s, in which electron density with only three variables instead of wavefunction with 3N variables becomes the center of interest. Hohenberg and Kohn had shown that only is enough to determine the ground state of quantum system.

12 (,,...,)

Figure 2. On a medieval stele in Prague, there appeared phrase “AB INITIO.”

12 (,,...,) Nrrr Y !!!

chemistry-DFT is the publication of a book by Robert G. Parr and Waitao Yang “Density-Functional Theory of Atoms and Molecules” in 1994. We make a plot for the yearly publications containing keyword “DFT” or “density functional theory.”

12 (,,...,) Nrrr Y () r r !

() r r !

only is enough to determine the ground state of quantum system. The practical way to solve

() r r ! with 3N variables becomes the center of interest. Hohenberg and Kohn had shown that

The practical way to solve is through the Kohn-Sham equation, very similar to HFR equation with exchange-correlation term in place of exchange term only.

Theoretical physicists started the field of DFT beginning with local density

() r r ! is through the Kohn-Sham equation, very similar to HFR equation with exchange-correlation term in place of exchange term only. Theoretical physicists started the field of DFT beginning with local density approximation (LDA) with uniform electron density distribution. A milestone for

Such an exponential increase is very remarkable and can be attributed to the efforts towards achieving chemical precision by building more and more sophisticated exchange-correlation functionals along the so-called “Jacob’s ladder” starting from the bottom LDA, all the way through GGA with functionals depends not only local density, but also its first-order gradient, meta-GGA with second-order gradient (kinetic energy term) dependence in addition, hybrid functionals to add Hartree-Fock exchange energy as a portion in total energy with the prominent B3LYP as an excellent representative which is still the most popular functional in practical DFT calculation, double hybrid functionals with both occupied and virtual orbitals corrections, and eventually to the heaven with chemical accuracy for all the properties. It is no doubt that DFT is the most practical and the most popular computational tool for chemistry and materials science with quantum theory. Especially, with the rapid advancements in machine learning and artificial intelligence, both the accuracy

beginning with local density

Past, Present and Future

Figure 3. Yearly publications containing keyword DFT or density functional theory

and efficiency have been improved.

Another practical way to avoid the exponential difficulty of quantum theory is to combine with classical mechanics. From the latter perspective, a molecule could be viewed as balls linked with sticks, the motion of which follows Newton’s mechanics with parameterized force field. This immediately reduces the computational cost to O(N2). In fact, in the 1940s, such classical mechanics approach was developed to approach molecular problems, namely, molecular mechanics (MM). And in the ‘70s, Martin Karplus, Michael Levitt, Arieh Warshel (Chemistry Nobel Prize Laureates in 2013) developed a quantum mechanics molecular mechanics hybrid approach, QM/MM to tackle biomolecules and conjugated molecules and beyond, where active electrons such as π-electrons or chemical reaction centers are treated by QM but σ-bonds or surrounding parts are treated by MM. QM/MM coupled with molecular dynamics became the mainstream computational tool for modeling biomolecules, catalytic process, and molecular design [6].

11 [,]xpi = ! 22 [,]xpi = ! 12Xxx =12Ppp =+

to enjoy the outcomes from the “first quantum revolution.” Even though, we still do not understand quantum mechanics, as claimed by Richard Feynman that “I think I can safely say that nobody understands quantum mechanics.” Taking the double-slit thinking experiment as example, only when a single electron passes through both slits simultaneously can there appear interference fringe due to superposition principle satisfied by Schrödinger equation. The mysterious Schrödinger- cat illustrates a paradox of quantum superposition. In fact, in 1935, three famous papers were published which had led the century long debate over quantum mechanics [7]. It started with Albert Einstein, Boris Podolsky and Natan Rosen (EPR) raised a serious question: “Can quantum-mechanical description of physical reality be considered complete?” published in Physical Review. EPR was challenging the Copenhagen philosophical interpretation of our world, namely, before a measurement, (i) nothing can be said about the value of a given physical quantity unless the wavefunction represents an eigenfunction of the operator of this physical quantity and (ii) except this case, the system does not have any fixed value of physical quantity at all. It was hard for EPR to accept such probabilistic view of reality, namely, Heisenberg’s uncertainty principle. In EPR’s thought experiment, there are two particles in the system with position and momentum x1, p1, x2, p2, respectively. With Heisenberg uncertainty principle, one has:have: , and . EPR defined and total momentum . It is easy

11 [,]xpi = !

11 [,]xpi = ! 22 [,]xpi = !

12Xxx = -

12Ppp =+

121211122122 [,][,][,][,][,][,]000 XPxxppxpxpxpxpii = - +=+ =+ = !!

Future

Quantum theory not only explains the nature of chemical bonding, but also reveals the nature of subtle intermolecular forces, such as exchange force, dispersion and induction effects, key components of van der Waals interaction. These interactions along with the classical electro-static and/or hydrogen force determine the complicated molecular self-assembly behavior, a key for molecular nanotechnology and biomolecules.

In the past 100 years, quantum mechanics has revolutionized our society by developing semiconducting technology, atomic energy, laser, nuclear magnetic resonance, superconducting and global positioning satellite technologies, etc. Humankind is continuing

Namely, X and P commute. According to Heisenberg, X and P can be determined and measured simultaneously. EPR further argued that the two particles are now separated very far without any interaction. One can measure p1 and to obtain p2 through P-p1 And one can measure x1 to obtain x2=x-X. EPR concluded that x2 and p2 can be determined simultaneously. Thus Heisenberg uncertainty principle. This is termed as EPR paradox, namely, using Heisenberg’s principle to deduce something contradictive. Immediately, Niels Bohr sent a reply, also published in Physical Review with the same title as EPR but pointed out that due to quantum superposition, measuring particle 1 would lead to collapse of the total wavefunction thus altering particle 2, even though the separation of two particles can be very far due to the “entanglement”, a term first appeared in Schrödinger ’s 1935 paper on his poor cat. Such debate had continued decades and become philosophical instead of scientific debate until John Bell suggested a famous inequality in 1964. Nobel Prize in physics of 2022 has been awarded to Alain Aspect, John Clauser and Anton Zeilinger for their experiments with entangled photons,

Namely, X and P commute. According to Heisenberg, X and P can be determined and measured simultaneously. EPR further argued that the two particles are now separated very far without any interaction. One can measure p1 and to obtain p2 through P-p1. And one can measure x1 to obtain x2 = x-X. EPR concluded that x2 and p2 can be determined simultaneously. Thus the Heisenberg uncertainty principle is violated. This is termed as EPR paradox, namely, using Heisenberg’s principle to deduce something contradictive. Immediately, Niels Bohr sent a reply, also published in Physical Review with the same title as EPR but pointed out that due to quantum superposition, measuring particle 1 would lead to collapse of the total wavefunction thus altering particle 2, even though the separation of two particles can be very far due to the “entanglement,” a term that first appeared in Schrödinger’s 1935 paper on his poor cat. Such debate had continued decades and become philosophical instead of scientific debate

121211122122 [,][,][,][,][,][,]000 XPxxppxpxpxpxpii = - +=+ . EPR defined the relative position X as have: , and and total momentum Namely, X and P commute. measured simultaneously. EPR very far without any interaction. one can measure x1 to obtain simultaneously. Thus Heisenberg namely, using Heisenberg’s Niels Bohr sent a reply, also but pointed out that due to quantum collapse of the total wavefunction of two particles can be very Schrödinger ’s 1935 paper become philosophical instead

121211122122 [,][,][,][,][,][,]000 XPxxppxpxpxpxpii = - +=+ , and have: , and . EPR defined and total momentum . It is easy

121211122122 [,][,][,][,][,][,]000 XPxxppxpxpxpxpii = - +=+ and total momentum have: , and EPR defined the relative position X as and total momentum . It is easy to show that:

121211122122 [,][,][,][,][,][,]000 XPxxppxpxpxpxpii = - +=+ =+ = !! . It is easy to show that: have: , and EPR defined the relative position X as and total momentum . It is easy to show that:

Namely, X and P commute. According to Heisenberg, X measured simultaneously. EPR further argued that the two very far without any interaction. One can measure p1 and one can measure x1 to obtain x2=x-X. EPR concluded that simultaneously. Thus Heisenberg uncertainty principle. This namely, using Heisenberg’s principle to deduce something Niels Bohr sent a reply, also published in Physical Review but pointed out that due to quantum superposition, measuring collapse of the total wavefunction thus altering particle of two particles can be very far due to the “entanglement Schrödinger ’s 1935 paper on his poor cat Such debate become philosophical instead of scientific debate until John

Namely, X and P commute. According to Heisenberg, X measured simultaneously. EPR further argued that the two very far without any interaction. One can measure p1 and one can measure x1 to obtain x2=x-X. EPR concluded that simultaneously. Thus Heisenberg uncertainty principle. namely, using Heisenberg’s principle to deduce something Niels Bohr sent a reply, also published in Physical Review but pointed out that due to quantum superposition, measuring collapse of the total wavefunction thus altering particle of two particles can be very far due to the “entanglement Schrödinger ’s 1935 paper on his poor cat. Such debate become philosophical instead of scientific debate until 11 [,]xpi = ! 22 [,]xpi = !

inequality in 1964. Nobel Prize

Quantum Theory and Quantum Chemistry:

Figure 4. Schematic illustration of Schrödinger’s cat state: a superposition of dead and alive cat, which contrasts our common sense [7c].

microstates. Quantum entanglement is the reason behind the catastrophe for classical computers.

According to classical probability, the three sets A, B, C (see Fig. 6) should satisfy :

until John Bell suggested a famous inequality in 1964. The 2022 Nobel Prize in physics was awarded to Alain Aspect, John Clauser and Anton Zeilinger for their experiments with entangled photons, establishing the violation of Bell inequality. This closes the century long debate and opens a door for quantum information science. The third milestone paper in 1935 was the famous Schrödinger’s cat, which is continuing to haunt us even today. For the first time, the term “entanglement” was introduced in quantum world to describe the superposition of microstates. Quantum entanglement is the reason behind the exponential wall catastrophe for classical computers.

(,)(,)(,) SABSBCSAC ¬+¬ ³ ¬ (,)SAB ¬ (,)SBC ¬ (,)SAC ¬

Figure6.ThreesetsA(blue),B(red)andC(yellow)withoverlaps:part2overlapsAandB;4 overlapsAandC;5overlapsA,BandC;6overlapsBandC[9]

1(0,0,1)e = !

illustrationofSchrödinger’scatstate:asuperpositionofdeadandalivecat, whichcontrastsourcommonsense[7c]

According to classical probability, the

In fact, (see Fig. 6) should

In fact, is simply part 1 plus part 4; is part 2 plus 3. And is just part 1 plus 2. It is so natural for the inequality to be true for classical probability.

2 12 1 (,)sin22 Pee q = along the z-direction and probability.

illustrate Bell’s inequalities is the Stern-Gerlach experiment for

Imagine now the central part is a generator of entangled spin pair momentum: with spin 1 to the left and

Figure6.ThreesetsA(blue),B(red)andC(yellow)with overlapsAandC;5overlapsA,BandC;6overlapsBandC[9]

(,)SAB ¬ (,)SBC ¬ (,)SAC ¬ is simply part 1 plus part 4;

But for the two-spin Stern-Gerlach apparatus, from quantum mechanics, the probability to find particle 1 spin up in the direction of e1 and particle 2 spin up in the direction of e2 is , and for simplicity, we can choose along the z-direction and in the x-z plane with an angle. Then, it is easily to obtain as the quantum probability. Now, lets define property A be spin 1 up along n1=(0, 0, 1) (so that spin 2 down in the same

The best way to illustrate Bell’s inequalities is the Stern-Gerlach experiment for two spins, see below. Imagine now the central part is a generator of entangled spin pair with opposite spin and momentum:

screen. Thus, if the right screen records a down spin, then the left versa. This is due to quantum entanglement between the two spins two screens separate.

property C be spin 1 up along n3=

Figure6.ThreesetsA(blue),B(red)andC(yellow)withoverlaps:part2overlapsAandB; overlapsAandC;5overlapsA,BandC;6overlapsBandC[9]

is just part 1 plus 2. It is so natural for the inequality to be true for classical probability.

2 1212 (,)||| PeeeeS =<>

But for the two-spin Stern-Gerlach apparatus, from quantum mechanics, the probability to find particle 1 spin up in the direction of e1 and particle 2 spin up in the direction of e2 is probability.

1(0,0,1)e = !

2 1212 (,)||| PeeeeS =<>

2(sin,0,cos)e qq = !

Figure6.ThreesetsA(blue),B(red)andC(yellow)withoverlaps:part2overlapsA overlapsAandC;5overlapsA,BandC;6overlapsBandC[9]

In fact, is simply part 1 plus part 4; is part 2 is just part 1 plus 2. It is so natural for the inequality to be true probability.

2 1212 (,)||| PeeeeS =<> 1(0,0,1)e = ! 2(sin,0,cos)e qq = !

2(sin,0,cos)e qq = !

In fact, is simply part is just part 1 plus 2. It is so probability.

2 12 1 (,)sin22 Pee q = , and for simplicity, we can choose

1 |(||) 2 S >= ¯> -¯> with spin 1 to the left and spin 2 to the right screen. Thus, if the right screen records a down spin, then the left must be up, or vice versa. This is due to quantum entanglement between the two spins regardless of how far the two screens separate.

2 12 1 (,)sin22 Pee q = as the quan-

2 12 1 (,)sin22 Pee q = in the x-z plane with an angle. Then, it is easily to obtain

tum probability. Now, lets define property A be spin 1 up along n1=(0, 0, 1) (so that spin 2 down in the same direction n1) and property B be spin 1 up along direction n1) and property B be spin 1 up along n2= (namely, is spin 1 down in n2 and spin 2 must be up in n2 due to quantum entanglement) and

But for the two-spin Stern-Gerlach apparatus, probability to find particle 1 spin up in the direction of direction of e2 is , and for along the z-direction and angle. Then, it is easily to obtain lets define property A be spin 1 up along n1=(0, 0, 1) (so

direction n1) and property B be spin 1 up along n2= (namely, is spin 1 down in n2 and spin 2 must be up in n2 due to quantum entanglement) and property C be spin 1 up along n3=

(namely,

2 1212 (,)||| PeeeeS =<> 1(0,0,1)e = 2(sin,0,cos)e qq =

(3/2,0,1/2) B¬ (3/2,0,1/2) - C¬

Similarly,

Similarly, means spin 2 up along n3. Namely, we can write down the following expressions

1(0,0,1)e = is part 2 plus 3. And

But for the two-spin Stern-Gerlach apparatus, from quantum mechanics, probability to find particle 1 spin up in the direction of e1 and particle 2 spin up direction of e2 is , and for simplicity, we can along the z-direction and in the x-z plane angle. Then, it is easily to obtain as the quantum probability. lets define property A be spin 1 up along n1=(0, 0, 1) (so that spin 2 down in the

direction n1) and property B be spin 1 up along n2= (namely, is spin 1 down in n2 and spin 2 must be up in n2 due to quantum entanglement) and

Leonard Susskind of Stanford University has presented an easy-to-understand version of Bell’s inequality which can distinguish the difference between quantum entanglement and classical probability such as left/right hand correlation. According to classical probability, the three sets A, B, C (see Fig. 6) should satisfy: According to classical probability, the three sets A, B, C (see Fig. 6) should satisfy :

lets define property A be spin 1 up along n1=(0, 0, 1) (so that spin 2 down in the same

2 12 11(,)(,)sin268 SABpnn p ¬===

Figure 5. Scheme of two-spin Stern-Gerlach experiment for the entangled singlet state [8]

Apparently, Bell

direction n1) and property B be spin 1 up along n2= (namely, is spin 1 down in n2 and spin 2 must be up in n2 due to quantum entanglement) and property C be spin 1 up along n3= Similarly, means spin 2 up along n3. Namely, we can write down the following expressions

2 23 11(,)(,)sin268 SBCpnn p ¬===

¬ 2 12 11(,)(,)sin268 SABpnn p ¬=== 2 23 11(,)(,)sin268 SBCpnn p ¬===

property C be spin 1 up along n3= Similarly, means spin 2 up along n3. Namely, we can write down the following expressions

12 11(,)(,)sin268 SABpnn p ¬=== 2 23 11(,)(,)sin268 SBCpnn p ¬===

Similarly, means spin 2 up along n3. Namely, we can write down the following expressions

Figure6.ThreesetsA(blue),B(red)andC(yellow)withoverlaps:part2overlapsAandB;4 overlapsAandC;5overlapsA,BandC;6overlapsBandC[9]

two-spinStern-Gerlachexperimentfortheentangledsingletstate

In fact, is simply part 1 plus part 4; is part 2 plus 3. And is just part 1 plus 2. It is so natural for the inequality to be true for classical probability. (,)(,)(,) SABSBCSAC ¬+¬ ³ ¬ (,)SAB ¬ (,)SBC (,)SAC ¬

Susskind of Stanford University has Bell’s inequality which can distinguish the difference between and classical probability such as left/right hand correlation.

The so-called “second quantum revolution” emerged from the dispute over the (3/2,0,1/2) B¬ (3/2,0,1/2) - C¬

2 13 13(,)(,)sin238 SACpnn p ¬=== means spin 2 up along n3. Namely, we can write down the following expressions:

2 13 13(,)(,)sin238 SACpnn p

2 12 11(,)(,)sin268 SABpnn p ¬===

2 23 11(,)(,)sin268 SBCpnn p ¬===

The so called “second quantum revolution” emerged from the dispute over the (3/2,0,1/2) B¬ (3/2,0,1/2) -

2 23 11(,)(,)sin268 SBCpnn p ¬===

But for the two-spin Stern-Gerlach apparatus, from quantum mechanics, the probability to find particle 1 spin up in the direction of e1 and particle 2 spin up in the direction of e along the z angle. Then, it is easily to obtain lets define property A be spin 1 up along n1=(0, 0, 1) (so that spin 2 down in the same

from the dispute over the B¬ (3/2,0,1/2) -

2 13 13(,)(,)sin238 SACpnn p ¬===

Apparently, Bell’s inequality is violated in this case:

That is, one may find some special case that the inequality could fail. Alain Aspect et al. had first demonstrated such violation in the early 80’s with entangled photons, which opened the door of quantum information technology [10].

(3/2,0,1/2)

property C be spin 1 up along n3= . Similarly, means spin 2 up along n3. Namely, we can write down the following expressions

Apparently, Bell’s inequality is violated in this case:

Apparently, That is, one may find some special case that the inequality could fail. Alain Aspect et al. had first demonstrated such violation in the early 80’s with entangled photons, which opened the door of quantum information technology [10] The so called “second quantum revolution”

direction n1) and property B be spin 1 up along n2= (namely, is spin 1 down in n2 and spin 2 must be up in n2 due to quantum entanglement) and property C be spin 1 up along n3= . Similarly, means spin 2 up along n3. Namely, we can write down the following expressions

(3/2,0,1/2) - C¬ 2 12 11(,)(,)sin268 SABpnn p ¬===

Figure6.ThreesetsA(blue),B(red)and overlapsAandC;5overlapsA,BandC;6

lets define property A be spin 1 up along (,)(,)(,) SABSBCSAC ¬+¬ (,)SAB ¬ (,)SAC ¬

2 13 13(,)(,)sin238 SACpnn p ¬=== is spin 1 down in n2 and spin 2 must be up in n2 due to quantum entanglement) and property C be spin 1 up along direction n1) and property B be spin 1 up along n2= spin 1 down in n2 and spin 2 must be up in n2 due to quantum property C be spin 1 up along n3= Similarly, along n3. Namely, we can write down the following expressions

Figure6.ThreesetsA(blue),B(red)andC(yellow)withoverlaps:part2overlaps overlapsAandC;5overlapsA,BandC;6overlapsBandC[9]

But for the two-spin Stern-Gerlach probability to find particle 1 spin up in direction of e2 is -direction and it is easily to obtain

lets define property A be spin 1 up along n1=(0, 0, 1) (so that spin 2 down (,)(,)(,) SABSBCSAC ¬+¬ ³ ¬

But for the two-spin Stern-Gerlach apparatus, from quantum mechanics, probability to find particle 1 spin up in the direction of e1 and particle 2 spin , and for simplicity, we in the x-z plane as the quantum probability.

That is, one may find some special case that the inequality could fail. Alain Aspect s with entangled photons, which opened the door of quantum information technology [10]

That is, one may find some special case that the inequality could fail. Alain Aspect s with entangled photons, which opened the door of quantum information technology [10].

That is, one may find some special case that the inequality could had first demonstrated such violation in the early 80’s with which opened the door of quantum information technology [10]. The so-called “second quantum revolution” emerged from the

The so-called “second quantum revolution” emerged from the dispute over the understanding the quantum mechanics. As mentioned before, Nobel Prize in physics

The so-called “second quantum revolution” emerged from the dispute over the

The so-called “second quantum revolution” emerged from the dispute over the understanding the quantum mechanics. As mentioned before, Nobel Prize in physics (3/2,0,1/2) B¬ (3/2,0,1/2) - C¬ 2 12 11(,)(,)sin268 SABpnn p ¬===

understanding the quantum mechanics. As mentioned before, Nobel Prize in physics (3/2,0,1/2) B¬ (3/2,0,1/2) - C¬

Past, Present and Future

use long digit-numbers. However, according to Shor’s algorithm, a quantum computer needs only 8 times more for the task. It certainly caused a global panic in information security. Namely, once there will be a quantum computer, our information encryption will be broken in any minute. Quantum encryption is the only way to avoid such catastrophe.

direction n1) and (namely, is spin 1 down in n due to quantum entanglement) and property C be spin 1 up along n means spin 2 up along n3. Namely, we can write down the following expressions

Figure 6. Three sets A (blue), B(red) and C(yellow) with overlaps: part 2 overlaps A and B; 4 overlaps A and C; 5 overlaps A, B and C; 6 overlaps B and C [9]

Apparently, Bell’s inequality is violated in this case:

2 13 13(,)(,)sin238 SACpnn p ¬=== 113(,)(,)(,)888 SABSBCSAC ¬+¬=+<¬=

capturing the entangled nature of quantum gates consisting of quantum bits, or qubits

That is, one may find some special case that the inequality could fail. Alain Aspect et al. had first demonstrated such violation in the early ‘80s with entangled photons, which opened the door of quantum information technology [10].

That is, one may find some special case that the inequality could fail. Alain Aspect al. had first demonstrated such violation in the early 80’s with entangled photons, which opened the door of quantum information technology [10]

The so-called “second quantum revolution” emerged from the dispute over the understanding the quantum mechanics. As mentioned before, Nobel Prize in physics 2022 was awarded for pioneering quantum information science, and the Breakthrough Prize in physics 2022 was awarded to Hidetoshi Katori and Jun Ye for quantum measurement and 2023 awarded to David Deutsch for Quantum Turing Machine, to Peter Shor for quantum algorithm, and to Charles Bennett and Gilles Brassard for quantum communication (BB protocol). These indicate the emerging importance and expectation of second quantum revolution, within which, the center is quantum

There are two types of quantum computing approaches: analog simulation and digital computing. The former relies on build-up of a controllable quantum system (like coldatom or even cold-molecule) whose effective dynamics is similar to the one of the desired model. The latter is more like the operation of conventional computers with gates. A number of algorithms have been demonstrated great speed-up compared to classical algorithm such as quantum Fourier transformation and Shor ’s factorization. The typical 1-qubit gates include Pauli gates (X, Y, Z), and Hadamard (H) gate. An Hgate can produce an entangled state from a pure state such that . A typical 2-qubit gate is the popular control-NOT (CNOT), for example, . Quantum Fourier transformation (QFT) involves a series of Hadamard gates and controlled rotation operations. QFT becomes an important component for other quantum algorithm due to its quantum advantage. [10]

The so-called “second quantum revolution” emerged from the dispute over understanding the quantum mechanics. As mentioned before, The 2022 Nobel Prize in physics was awarded for pioneering quantum information science, and the Breakthrough Prize in physics 2022 was awarded to Hidetoshi Katori and Jun Ye for quantum measurement and 2023 awarded to David Deutsch for Quantum Turing Machine, to Peter Shor for quantum algorithm, and to Charles Bennett and Gilles Brassard for quantum communication (BB protocol). These indicate the emerging importance and expectation of second quantum revolution, within which, the center is quantum computing. The conventional Turing Machines or processing times must grow exponentially with the length of digital numbers. But for quantum Turing Machines, one only needs to add qubits to handle longer numbers, namely, the scaling is linear. In fact, Shor’s algorithm for factorization changed our perception of quantum computing. For example, to factorize a 500-digit number, a classical computer need 108 more time than to factorize 250-digit number (the present limit). This guarantees our information safety to

Richard Feynman famously said “Nature isn’t classical, dammit, and if you want to make a simulation of nature, you’d better make it quantum mechanical, and by golly, it’s a wonderful problem, because it doesn’t look so easy.” A classical computer uses 0 or 1 to carry out computational operation or data storage. For example, to store a state vector of N-spin state, one needs 2N float number multiplying 64 bits in a classical computer. But for a quantum computer, one just needs N qubits to represent such a vector. Here is the general procedure for a quantum computer: (i) first, mapping the problem to qubit model; (ii) then preparing an initial state; (iii) and applying a sequential of unitary 1-qubit or 2-qubit gate operations to the state; (iv) and finally measuring the state to obtain the results. A quantum computer can naturally capture the problem of electron correlation, a key challenge for quantum chemistry, through capturing the entangled nature of quantum gates consisting of quantum bits, or qubits. There are two types of quantum computing approaches: analog simulation and digital computing. The former relies on build-up of a controllable quantum system (like coldatom or even cold-molecule) whose effective dynamics is similar to the one of the desired models. The latter is more like the operation of conventional computers with gates. A number of algorithms have been demonstrated great speed-up compared to classical algorithm such as quantum Fourier transformation and Shor’s factorization. The typical 1-qubit gates include Pauli gates (X, Y, Z), and Hadamard (H) gate. An H-gate can produce an entangled state from a pure state such that

capturing the entangled nature of quantum gates consisting of quantum There are two types of quantum computing approaches: analog simulation computing. The former relies on build-up of a controllable quantum system atom or even cold-molecule) whose effective dynamics is similar to desired model. The latter is more like the operation of conventional gates. A number of algorithms have been demonstrated great speedclassical algorithm such as quantum Fourier transformation and Shor

. A typical 2-qubit gate is the popular control-NOT (CNOT), for example,

1 |0(|00|11) 2 CNOT +>=>+> . Quantum Fourier transformation (QFT) involves a series of Hadamard gates and controlled rotation operations. QFT becomes an important component for other quantum algorithm due to its quantum advantage. [10]

The typical 1-qubit gates include Pauli gates (X, Y, Z), and Hadamard gate can produce an entangled state from a pure state . A typical 2-qubit gate is the popular (CNOT), for example, . Quantum transformation (QFT) involves a series of Hadamard gates and controlled operations. QFT becomes an important component for other quantum its quantum advantage. [10]

Quantum phase estimation (QPE) was first proposed to solve eigenvalue such as stationary Schrödinger equation. It involves a series of Hadamard, QFT. The problem of QPE is the depth of quantum gates, which renders impractical in near term noisy quantum devices. We are now in the era

Quantum phase estimation (QPE) was first proposed to solve eigenvalue problems such as stationary Schrödinger equation. It involves a series of Hadamard, rotation and QFT. The problem of QPE is the depth of quantum gates, which renders the algorithm impractical in near term noisy quantum devices We are now in the era of NISQ (noisy

Quantum Theory and Quantum Chemistry:

quantum gates, which renders the algorithm impractical in near term noisy quantum devices. We are now in the era of NISQ (noisy intermediate-scale quantum) since our hardware is limited by the number of qubits and the fidelity due to decoherence. VQA (variational quantum algorithm) seems to be the more appropriate choice for quantum chemistry, where quantum circuit is viewed as a black box which receives parameters for optimizations. The state-of-the-art results are from Google and University of Science and Technology of China with 12 qubits for calculating N2 and F2 [11]. A number of limitations for the NISQ quantum computing in addition to total number of coherent qubits: (i) low fidelity caused by noise and hardware errors, which increase with the quantum circuit depth; (ii) deeper circuit depth causes accumulation of errors; (iii) highly demanded quantum measurement, for example, in the VQE algorithm, large amounts of measurements should be performed for optimization of the quantum circuit; (iv) Capability of error correction. NISQ devices lack such capability to correct the error of quantum circuit execution. Thus, it is imperative to develop fault tolerant hardware device and algorithm in the near future.

Even though, a general-purpose quantum computer is not envisaged for next decades, quantum – classical hybrid computing seems to be a more practical way to profit quantum advantage in some special cases. In fact, the advantage of quantum computing lies in its ability to store and manipulate highly entangled quantum states. While quantum computers, in principle, can perform any task that a classical Turing machine can, these tasks are often better handled by classical computers due to their significantly lower cost and higher clock speed. In the near future, instead of serving as general-purpose machines, quantum computers will likely function as specialized components within traditional computing systems, similar to the relationship between GPUs and CPUs. As a result, quantum computers are increasingly referred to as quantum processing units (QPUs). Quantum chemists are actively developing algorithms to leverage QPUs, in combination with traditional CPUs and GPUs, to address complex chemical problems.

Perspective

Quantum mechanics revolutionalized modern chemistry by illustrating the nature of atomic structure and chemical bonding. And it further revolutionalized chemistry through developing computational methods and software to predict structure and reaction processes, in addition to design molecules with targeted

properties. Using quantum mechanics, together with statistical mechanics and electrodynamics to solve complicated problems in chemistry, theoretical and computational chemistry become an indispensable branch. A centenary celebration for the establishment of quantum mechanics means a lot for chemistry. Quantum science and technology is going to conquer the exponential difficulty for molecular design. It is generally believed that chemistry is at the center to solve global challenging problems in energy and environment. We are entering into a 3E time, namely, energy, environment, entanglement. Quantum entanglement is an earthed resource in a classical world, awaiting us to explore for future applications in chemistry.

References and further readings

1. B. Friedrich and D. Herschbach, Physics Today 2003, 56, 53.

2. W. Heisenberg, Zeitschrift für Physik 1925, 33, 879.

3. https://www.nobelprize.org/prizes/chemistry/1998/ summary/

4. https://www.iaqms.org/

5. J. M. André, Chemistry International, 2014, vol. 36, no. 2, 2014, pp. 2-7. https://doi.org/10.1515/ci.2014.36.2.2

6. a) A. Einstein, B. Podolsky, and N. Rosen, Physical Review 1935, 47, 777; (b) N. Bohr, Physical Review 1935, 48, 696; (c) E. Schrödinger, Naturwissenschaften, 1935, 48, 807, ibid. 823.

7. “Modern Quantum Mechanics” 3rd Edition, by J. J. Sakurai and J. Napolitano, Cambridge University Press, 2023.

8. J. Bell, Physics 1964, 1, 195;

9. Leonard Susskind, Stanford University Open Lecture on “Quantum Entanglements”.

10. “Quantum Computation and Quantum Information”, by M. A Nielsen and I. L. Chuang, Cambridge University Press (Cambridge), 2010.

11. W. J. Huggins, B. A. O’Gorman, N. C. Rubin, D. R. Reichman, R. Babush, J H Lee, Nature 2022, 606, 416; S. J. Guo, J. Z. Sun, H. R. Qian, et al. Nature Physics 2024, 20, 1240.

Zhigang Shuai <shuaizhigang@cuhk.edu.cn> is a professor of theoretical chemistry in the Chinese University of Hong Kong (Shenzhen Campus). He got his PhD from Fudan University in Shanghai in 1989 and then went to Belgium to work as a research scientist for 11 years. He became a research professor in the Institute of Chemistry in 2002 and a Changjiang Scholar Chair Professor in Tsinghua University in 2008. Since 2005, he has volunteered with IUPAC, starting with the IUPAC World Congress of 2005 in Beijing. He served on the Committee on Chemistry and Education (CCE) and the Physical and Biophysical Chemistry Division (Div I), and he is now a Member of Executive Board. ORCID 0000-0003-3867-2331

IUPAC and OPCW—from reluctant support to active collaboration

by Leiv K. Sydnes

Even before the Organization for the Prohibition of Chemical Weapons (OPCW) was established and the Chemical Weapons Convention (CWC) entered into force, IUPAC was dealing with chemical challenges related to disarmament and produced several reports on aspects related to chemical-weapon issues. However, as the IUPAC archives reveal, this work was not supported with enthusiasm. This may explain the scepticism that was experienced when IUPAC was approached by OPCW in 2001 and asked to produce a report evaluating the scientific and technological advances that had occurred in the chemical sciences since 1993. Based on documents from the IUPAC archives and my own observations as a member of numerous IUPAC committees, this article gives an account of how difficulties were met and overcome and eventually paved the way for the productive collaboration IUPAC now enjoys with OPCW.

I was a member of the IUPAC Executive Committee (EC) when the request from OPCW arrived, but I never understood why it was received with lack of enthusiasm. Discussions with IUPAC friends did not give any insight either and this gradually created an interest in searching the IUPAC archives for documents related to chemical-weapon issues and the IUPAC relation to OPCW.

The IUPAC archives are found at two locations. At Science History Institute in Philadelphia, Pennsylvania [1], documents from IUPAC’s formation in 1919 to the 1990s are properly archived, accurately sorted in topics and neatly kept in boxes and files so that relevant material can be searched and found easily. The rest

is located at the IUPAC Secretariat, where post-1990 documents are simply kept in boxes, cabinets and folders in such an order that practically all the documents had to be looked at and studied one by one. This made the work quite tedious, but at the end a fair amount of material, constituting the basis for this article, was found.

The first initiative

The first serious initiative to try to involve IUPAC somehow in chemical-weapon issues came from The Association of Greek Chemists, which in a letter from early 1989 to IUPAC President Yves P. Jeannin (Figure 1) requested that in “one of the coming IUPAC general assemblies you include for discussion, and possible action, the subject on the ban of chemical weapons” [2]. In a reply from 10 March, IUPAC Secretary General (SG) Thomas S. West reported that the letter would be on the agenda for the EC meeting about a month later. He also made it clear that he was “doubtful if our [IUPAC] Statutes will allow us as a Union to do very much and it is certainly true that neither the Executive Committee nor the Bureau can make any public announcement on such a matter” [3]. This was probably not regarded as a positive feedback, and it did not help when West continued by stating that “it would be much better for you to approach the matter of action by the scientific community through the International Council of Scientific Unions, ICSU, which has the role of the social conscience of science and scientists on the international scene” [3]. Based on this correspondence, the EC recommended to add the Greek proposal to the agenda for the next IUPAC Council meeting in August 1989, where it was decided to inform the ICSU Executive Board about the Greek NAO’s appeal to initiate a discussion of this subject in the framework of the family of

Figure 1. The top of the letter to IUPAC from the Greek NAO to the Union. It is interesting it was not sent to the President, but to Vice President Prof. Jeannin who lived in France and not in Denmark where the Treasurer resided

the ICSU scientific unions. Two months later West presented the decision and suggested that ICSU examine the question of abolition of chemical and other weapons of mass destruction. ICSU apparently instructed its Committee on the Ethical Problems of Science to take charge and work with the issue, but that appeared to be a dead end; more than one year later the Executive Secretary (ES) of ICSU reluctantly had to report that “our Committee on the Ethical Problems of Science ended up being largely inactive, which is a risk that one runs from time to time when working with an organization of volunteers. Thus, although the recommendation about the study of weapons of mass destruction was passed on to the Committee by the Executive Board, nothing was done about this” [4]. In spite of this, IUPAC kept the contact with ICSU and remained engaged in discussions of a number of actions, including preparation of a special publication on chemical weapons and organizing symposia in collaboration with a number of international organization [5], and even set aside up to USD 10 000 to support [6]. But little materialized and the IUPAC ES was “not happy with the way ICSU is proposing to proceed” [7].

The Bunnett initiative

This lack of tangible outcomes conceivably triggered the IUPAC Organic Division to consider organizing a body to study methods of destruction of chemical-warfare agents and other hazardous chemicals [5]. Professor Joseph F. Bunnett, (USA) (Figure 2) responded quickly to the idea, and before May 1991, he had written four discussion papers with the aim of formalizing the formation of a task force on detoxification of chemical warfare agents at the General Assembly (GA) in Hamburg in August 1991 [8]. The proposal was said to be favourably regarded by the IUPAC officers [9], and when discussed formally at the GA, the Organic Division approved establishing a Subcommittee on the Destruction of Chemical Warfare Agents with Bunnett as chair [5].

With the formation of the subcommittee, IUPAC should be ready to address pure chemical issues related to chemical weapons, but that did not happen immediately. The reason was that the subcommittee was approved without any funding, and this apparently led to controversy that lasted for several years. In a summary of the situation in a memorandum to Valentin A. Koptyug (Past President 1989-91) in January 1992, ES Maurice (Mo) Williams stated that since “Hamburg, it has been clarified that the Bunnett Task Force will conduct its business solely within the Organic Chemistry Division. It will have no access to the USD 5 000 budgeted by

Figure 2. Joseph F. Bunnett, professor in physical organic chemistry at the University of California Santa Cruz, USA, paid particular attention to the destruction of chemical weapons toward the end of his career and served nationally on several committees devoted to such issues. In IUPAC, he worked hard to convince the Executive to establish a committee working with chemical aspects related to chemical weapons years before the CWC entered into force.

IUPAC in each of 1992 and 1993 for the work with ICSU” [7]. Furthermore, “I must stress to you that the initiative of Professor J. F. Bunnett […..] is independent of the considerations on chemical weapons by the IUPAC Executive Committee/Bureau” [7]. This delayed the planning of the project considerably, and a project proposal was filed just in time for consideration at the GA in Lisbon in August 1993. The proposal, now entitled “Destruction of Chemical Warfare Agents” and planned to last for two years from August 1993, was approved, but again there was no financial support from the Union, despite the fact that the president of the Organic Division, President Nelson J. Leonard, commented that it “will be a shame for IUPAC not to support this subcommittee (task force)” [10]. The tension this generated is reflected in the minutes from the Division meeting, which show that Leonard was requested to raise two questions with the IUPAC leadership: “a) why is there no IUPAC funding for the subcommittee of the organic division on the Scientific Aspects of the Destruction of chemical warfare; b) why is there an hesitation on the part of IUPAC to remove this chemical hazard from the world?” [10].

While Bunnett and others were working hard to convince IUPAC to focus and fund work on

IUPAC and OPCW—from reluctant support to active collaboration

chemical-weapons issues, these issues were brought to centre stage in world politics when the Convention on the Prohibition of the Development, Production, Stockpiling and Use of Chemical Weapons and on their Destruction, usually called the Chemical Weapons Convention (CWC), was finalized 3 September 1992 after decades of negotiations [11]. It is not known if this played a role when Leonard approached the IUPAC leadership to discuss the two questions mentioned above, but in any case, on October 28, 1993 it was reported that “IUPAC has now agreed to fund that project to the extent of $ 2000,00” [10].

This financial support, albeit small, and the international focus on chemical weapons when the CWC was opened for signature in Paris and New York (13 January 1993) must have encouraged Bunnett and the 13 other members of the task force when they started the work at the end of 1993. The aim was to 1) “evaluate critically and compile existing methods and relevant research findings, and make them available in condensed form” and 2) “identify additional research that needs to be done in order to facilitate rapid, safe and economical destruction of chemical munitions and chemical warfare agents” [10]. Considering the progress they made, reported to the IUPAC Executive on a regular basis, this project is in my opinion one of the most outstanding projects ever carried out in IUPAC. In less than one year, the outcome had been such that a workshop could be held to flesh out and adopt recommendations and write a progress report [12] that would form the basis for what ultimately became a technical report in Pure and Applied Chemistry [13]. Also, a news story about the work was published in Chemistry International in March 1995 [14], and well before the stipulated project period ended (August 1995), chairman Bunnett and task-force member Mirian Mikolajczyk succeeded in getting a NATO grant for a NATO Advanced Research Workshop on “Chemical Problems Associated with Old Arsenical and Mustard Munitions,” to be held in Lodz, Poland, 18-20 March 1996 with the applicants as co-chairs [15]. The workshop became a major success, and in 1998 a book based on the conference lectures was published with the co-chairs as editors (Figure 3) [16]. Two days before the two-year project period ended, a Statement of the Current Situation with a summary of tangible outcomes, put forward ideas for three new projects, a proposal to form “an ad hoc Committee on Chemical Weapons Destruction, reporting to the Bureau,” and a suggestion to organize additional workshops, was “respectfully submitted, J. F. Bunnett, Chairman” [17].

The future of chemical-weapon issues in IUPAC Several months before the project ended, Bunnett wrote to President Kirill I. Zamaraev to discuss the “future of the IUPAC Task Force on Scientific Aspects of the Destruction of Chemical Warfare Agents: (1) Should it be continued, in either its original or reorganized form? (2) What problems concerning destruction or chemical weapons should benefit from the attention of an international group of chemists? (3) If the “body” is continued, how should it be organized?” [18]. He was certainly pushing for a continuation by establishing a standing committee attached to the Bureau, but that was rejected by the EC, which instead recommended him to run “projects outside the jurisdiction of the existing Commissions of the Union. If you are interested to pursue this possibility. I [ES Williams] will send you further information” [19,20]. This idea did not appear

Figure 3. Professors Joseph F. Bunnett and Marian Mikolajczyk received financial support from NATO to organize an Advanced Research Workshop based on the outcome of the work carried out by the task force on Destruction of Chemical Warfare Agents. The lectures presented were published in the pictured book edited by the organizers.

IUPAC and OPCW—from reluctant support to active collaboration

very attractive to Bunnett, and I am sure he was discouraged when he was told that there “is no obvious financial mechanism for IUPAC to fund such an ad hoc committee” [21]. However, in spite of this, at the Council meeting during the GA in Guildford (August 1995), it was agreed to convert the task force to “an ad hoc Committee of the Bureau for a period, subject to review, of two years with some financial support from the Union. A report of the ad hoc Committee was received by the Executive Committee” [22], but the matter was not followed up and the committee ceased to exist as ongoing projects were completed during the following biennium [22].

Request from OPCW and the tension generated

As the Bunnett committee finished their work and IUPAC seemed to remain rather reluctant to focus on issues related to chemical weapons, the CWC gained increasing international support and entered into force 29 April 1997 with OPCW as the implementing body (Figure 4). The same day, the count-down for the first review of the operation of the CWC (First Review Conference) started, which was a consequence of Article VIII in the CWC: “The Conference shall not later than one year after the expiry of the fifth and the tenth year after the entry into force of this Convention, and at such other times within that time period as may be decided upon, convene in special sessions to undertake reviews of the operation of this Convention. Such reviews shall take into account any relevant scientific and technological developments. At intervals of five years thereafter, unless otherwise decided upon, further sessions of the Conference shall be convened with the same objective” [23]. In accordance with this, the First Review Conference was scheduled to convene 28 April 2003, and around the turn of the millennium, the preparation started to shape up. Minutes from several more or less formal meetings show that several organizations, including IUPAC and the US National Academy of Sciences (NAS), and a number of individuals became engaged and tried to contribute in the planning [24, 25]. For IUPAC, Bunnett turned out to be a valuable resource because he had made several contacts in OPCW when he chaired the Task Force on Scientific Aspects of the Destruction of Chemical Warfare Agents, and this network brought IUPAC SG Edwin (Ted) D. Becker “in touch with Dr. Claude Eon, chairman of the OPCW’s Scientific Advisory Board (SAB) regarding ways by which IUPAC might provide expertise and advice to OPCW. […..] The SAB is concerned about providing the best scientific advice to the diplomats in considering

Figure 4. OPCW’s logo symbolizes the organization’s aim, to destroy all chemical weapons in a sustainable manner.

revisions to the CWC. In January [2001], Alan Hayes and I met with Dr. Eon and Tom Inch, former executive director of the Royal Society of Chemistry and member of the SAB, to explore possible future interactions. We found a number of potential areas of cooperation and agreed to maintain further contacts” [26]. Becker then attended several additional meetings at the National Academy of Sciences in Washington DC in February and early March [25], so when the IUPAC EC met in the middle of March 2001, the CWC Review was on the agenda. “Dr. Becker reviewed the background of the series of meetings in which he had participated on the review of the Chemical Weapons Convention that will occur in 2003. IUPAC has been approached to provide scientific advice to the Office for Prohibition of Chemical Weapons” [27]. After Becker’s introduction, a discussion followed, which was not minuted. That is unfortunate because it started with a major surprise, almost a blow, when President Alan Hayes stated that IUPAC should not become involved in any events that were planned to produce a report evaluating the scientific and technological advances that had taken place in the chemical sciences since the Convention entered into force! To say that this generated an intense debate is no exaggeration, and it went on for some time because the President appeared very determined. But when a committee member asked how it would look if any more or less arbitrarily handpicked group of chemists wrote the report instead of IUPAC which is the global custodian of chemical knowledge and terminology, the attitude gradually changed. After a while, Hayes yielded and “endorsed the participation of IUPAC in this worldwide effort”, which became the unanimous decision [27]. As a consequence, “Dr. Hayes will meet with the Director-General of OPCW [Ambassador José M. Bustani] in April to formalize the relationship” [27].

IUPAC and OPCW—from reluctant support to active collaboration

The meeting with Bustani and his staff took place 19 April 2001 at the OPCW Headquarters in The Hague, The Netherlands, with the purpose of discussing “the proposal by IUPAC to assist in the preparations of the 2003 CWC Review Conference, following previous contacts between SAB members and IUPAC’s president as well as executive secretary, and then US NAS [National Academy of Sciences]” [28]. Hayes reported the same day to Becker about a successful meeting [29], which is not surprising since it “was stressed that IUPAC appears particularly well-placed to undertake a study on the scientific foundations of the Convention given its scientific standing, its relations to chemical industry, and its independent and international character” [28, 30]. During the meeting, the framework for the review process was discussed and settled; it was agreed to run a symposium “mid 2002, followed by a published report that would be available to OPCW and State Parties. To prepare for this symposium, a planning meeting is scheduled for July 23-24, 2001 in The Hague” [30,31]. This meeting was held as scheduled and marked the start of a hectic planning period leading up to the IUPAC Workshop Impact of Scientific Developments on the Chemical Weapons Convention, which was held in Bergen, Norway, 30 June – 3 July 2002 with the author in charge of all local arrangements and staff from US NAS taking care of the rest (Figure 5). The report [32] and the resulting scientific publications (Figure 5) were published and made available to OPCW and the State Parties as requested and promised, and there was a sense of pride when the material was presented in the

Peace Palace in The Hague 1 May 2003, during the First Review Conference.

Successful collaboration and more tension IUPAC received considerable credit for its delivery, and it was indeed rewarding when the new OPCW Director General Rogelio Pfirter expressed appreciation and added “I very much look forward to the continuation of this fruitful and cooperative relationship” [33]. This wish did indeed come true because the following years, OPCW and IUPAC organized several joint meetings including an international workshop on Education, outreach, and codes of conduct to further the norms and obligations of the Chemical Weapons Convention at Oxford University in July 2005 [34], a symposium devoted to Ethical Codes of Conduct for Chemists in the Bologna Academy in September 2006 [35], and the Second Symposium on the Impact of Advances in Science and Technology on the Chemical Weapons Convention, which took place at University of Zagreb in April 2007 [36,37]. As revealed in an article in Chemistry International years back [38], the 2005 and 2006 events generated some tension in the Union [39], but even more so did the 2007 meeting in Croatia. Whereas the first meeting in Bergen five years earlier closed with a healthy surplus, the second meeting ended with a moderate deficit because the financial contribution from OPCW unexpectedly shrank somewhat due to cancellations from some of the invited participants. This indeed made the IUPAC President Brian Henry very upset, and from the blue, he argued

Figure 5. (a) The conference booklet for the IUPAC workshop held in Bergen, Norway. (b) The conference papers were published in the last issue of PAC in 2002.

IUPAC and OPCW—from reluctant support to active collaboration

strongly for and was about to table a motion calling for immediate termination of all collaboration with OPCW. After a heated debate where the turning argument was that the surplus from the Bergen meeting more than covered the deficit from the conference in Zagreb, I volunteered to arrange a meeting with DG Pfirter to discuss the issue when he came to Turin, Italy, to give an address at the opening of the IUPAC GA in August 2007, and that was accepted by the IUPAC President, who withdrew the motion.

The meeting with the ambassador indeed materialized, and after a short and frank discussion, a satisfactory solution was found. This paved the way for the continuous and fruitful collaboration that has taken place between the two organizations ever since. Among the highlights are the CHEMRAWN XVIII: Ethics, Science,

and Development conference in August 2009, [40] the Workshop on Developments in Science and Technology Relevant to the Chemical Weapons Convention in February 2012 [41,42], and the development of The Hague Ethical Guidelines, finalized at the OPCW Headquarters in September 2015 [43,44], so when OPCW Director-General Ahmet Uzumcu and IUPAC President Natalia Tarasova signed the OPCW-IUPAC Memorandum of Understanding on 1 December 2016 [45], it was a natural consequence of past achievements driven by a strong desire to expand the joint activity and take the partnership to a new level [46,47].

Epilogue

Everybody should recall that OPCW was awarded the Nobel Peace Prize in 2013 “for its extensive

Figure 6. (a) The Nobel Peace Prize to OPCW was announced at the Nobel Institute in Oslo, Norway, 11 October 2013 at 11:00. (b) The diploma, handed over during the ceremony 10 December 2013 in Oslo City Hall, is on display in the lobby at the OPCW Headquarters in The Hague, The Netherlands.

IUPAC and OPCW—from reluctant support to active collaboration

efforts to eliminate chemical weapons” (Figure 6) [48]. I was invited to attend the solemn ceremony, and I have to admit I felt that the outcome of IUPAC’s collaboration with OPCW for more than 10 years was also acknowledged and celebrated when Ambassador Uzumcu received the gold medal and the diploma. And as the event came to a close, I was reminded about the two occasions when IUPAC was close to turning its back to OPCW, and I felt a deep satisfaction it did not happen.

Acknowledgements

A travel grant from the Science History Institute, Philadelphia, USA for a one-week residency in February 2024 is highly appreciated. I am most grateful for the excellent working conditions offered and the great support given during my stay. Furthermore, I am indebted to the staff at the IUPAC Secretariat, Research Triangle Park, USA for valuable assistance during my work with the IUPAC archives.

References

Most of the documents referenced were retrieved during my visits to the IUPAC Secretariat, Research Triangle Park, NC, and Science History Institute, Philadelphia, PA, in week 7 and 8 in 2024, respectively. The documents found at the IUPAC headquarters were in boxes, cabinets, and folders with no codes and no systematic tabulation of the contents. These documents are referred to as IUPAC Hq; date (YYYY.MM.DD) if available; reference when available; title if present; other information. At the Science History Institute, the material is professionally archived in numbered boxes containing numbered files; these documents are referred to as SHI; box number/file number; date (YYYY.MM.DD) if available; reference when available; title if present; other information. The following abbreviations are used: DG = Director General in OPCW; EC = Executive Committee; ES = Executive Secretary; SG = Secretary General in IUPAC. All internet links were checked April 1, 2025.

1. https://en.wikipedia.org/wiki/Science_History_Institute

2. IUPAC Hq; no date; No. 177/VB/mm; Abolition of Chemical Weapons; letter to IUPAC with attached Resolution from President Vas. Boulis and SG Xen. Papaioannou of The Association of Greek Chemists.

3. IUPAC Hq; 1989.03.10; SG/89/143; letter to The Association of Greek Chemists from IUPAC SG T.S. West.

4. IUPAC Hq. 1990.12.03; JML/pabf/2.00/2.33/5.03; letter from ICSU ES Julia Marton-Lefévre to IUPAC ES Mo Williams.

5. IUPAC Hq; 1992.01.05; A potential project relating to abolition of chemical weapons drafted by V. Koptyug; attached to a fax dated 1992.01.05 from Valentin Koptyug to M. Williams.

6. IUPAC Hq; 1991.07.04; Chemical Weapons/Energy Sources; memorandum from T. S. West to Members of the EC.

7. IUPAC Hq; 1992.01.17; 104/MW/92; Chemical Weapons; letter to V. A. Koptyug from M. Williams.

8. IUPAC Hq; 1991.04.06; A IUPAC Task Force on Detoxification of Chemical Warfare Agents. Discussion paper IV; a document written by J. F. Bunnett attached to a fax dated 1992.01.05 from Valentin Koptyug to M. Williams.

9. IUPAC Hq. 1991.07.08; letter from Allen J. Bard to T. S. West.

10. SHI; 19/3; IUPAC Organic Chemistry Division Committee Minutes of the Lisbon Meeting, August 1993

11. https://www.opcw.org/about-us/history

12. SHI; 20/4; 1994.10.05; Summary of Recommendations Adopted in Meetings Sept. 6-9, 1994, and the Problems They Address

13. Bunnett, J. F. Some Problems in the Destruction of Chemical Munitions, and Recommendations toward Their Amelioration. Pure Appl. Chem 1995, 67(5), 841858; https://doi.org/10.1351/pac199567050841

14. Anon. Task Force on Scientific Aspects of the Destruction of Chemical Warfare Agents. Chem. Int. 1995, 17 (2), 52-55.

15. SHI; 20/4; 1995.07.19; Annual Report IUPAC Task Force on Scientific Aspects of the Destruction of Chemical Warfare Agents

16. Bunnett, J. F.; Mikołajczyk, M. (eds.) Arsenic and Old Mustard: Chemical Problems in the Destruction of Old Arsenical and `Mustard’ Munitions. Springer, Dordrecht, The Netherlands. Hard cover: ISBN 978-0-7923-5175-7, 1998; eBook ISBN 978-94-015-9115-7, 2013

17. SHI; 20/4; 1995.08.06; Statement of Current Situation (as of Aug. 6, 1995); written by J. F. Bunnett.

18. SHI; 20/4; 1995.04.20; e-mail from IUPAC President K. I. Zamaraev to M. Williams with an e-mail from J. F. Bunnett dated 1995.04.07; untitled.

19. SHI; 20/4; 1995.06.15; 702/MW/SH; Proposed Standing Committee on Chemical Weapons Destruction Technologies; letter to J. F. Bunnett from M. Williams.

20. SHI; 20/4; 1995.06.22; Committee on Chemical Weapons Destruction Technologies; letter to M. Williams from J. F. Bunnett.

21. SHI; 20/4; 1995.07.03; 825/MW/SH; Proposed Standing Committee on Chemical Weapons Destruction Technologies; letter by fax to K. I. Zamaraev from M. Williams.

22. Brown, S. S. History of IUPAC 1988–1999. IUPAC, Research Triangle Park, NC, USA; ISBN 0-967-85501-2; 2001, p. 423.

23. Chemical Weapons Convention, Article VIII The Organization B. The Conference of the States Parties,

IUPAC and OPCW—from reluctant support to active collaboration

paragraph 22. https://www.opcw.org/sites/default/files/ documents/CWC/CWC_en.pdf

24. IUPAC Hq; 2001.03.01; Draft agenda for proposed conference call from D. Raber (NAS); in item 26 in the IUPAC EC Agenda Book for the 128th meeting of the EC 9-10 March 2001.

25. IUPAC Hq; Meeting Summaries. CWC Review Conference Project. National Academy of Sciences, Washington DC. February 6, 2001 and February 22, 2001; in item 26 in IUPAC EC Agenda Book for the 128th meeting of the EC 9-10 March 2001.

26. IUPAC Hq; Chemical Weapons; item 26 in IUPAC EC Agenda Book for the 128th meeting of the EC 9-10 March 2001.

27. IUPAC Hq; item 26 in the minutes for the 128th meeting of the EC 9-10 March 2001.

28. IUPAC Hq; Meeting Summary. Meeting of OPCW Director-General José M. Bustani with IUPAC President Alan Hayes 19 April 2001, The Hague (OPCW Headquarters); minutes from OPCW.

29. IUPAC Hq; 2001.04.20; Subject: My meeting with Bustani et al at OPCW; e-mail from President Alan Hayes to SG Ted Becker with minutes from Meeting at OPCW, Thursday 19 April 2001 embedded.

30. IUPAC Hq; 2001.05.08; L/ERD/GRB/47070/01; letter to President Alan Hayes from DG José M. Bustani.

31. IUPAC Hq; Item 26: Chemical Weapons Treaty Revision; in the agenda book for the meeting of the IUPAC Bureau in Brisbane, Australia, 5-6 July 2001; written by E.D. (Ted) Becker.

32. Parshall, G. W.; Pearson, G. S.; Inch, T. D.; Becker, E. D. Impact of Scientific Developments on the Chemical Weapons Convention. Pure Appl. Chem. 2002, 74(12), 2323-2352; https://doi.org/10.1351/pac200274122323

33. IUPAC Hq; 2002.08.19; L/ERD/GRB/61508/02; letter to President P. S. Steyn from Director-General Rogelio Pfirter.

34. Pearson, G. S.; Mahaffy, P. Education, Outreach, and Codes of Conduct to Further the Norms and Obligations of the Chemical Weapons Convention. Pure Appl. Chem. 2006, 78 (11), 2169-2192; https://doi.org/10.1351/pac200678112169

35. IUPAC Hq; no date and no reference; A proposal to have a joint IUPAC/OPCW SAB session in Bologna, Italy, 19-20 September 2006; letter from Prof. Alberto B. Fratadocchi; on pages 69-70 in the agenda book for the 133rd meeting of IUPAC Executive Committee in Dublin, Ireland, 1-2 April 2006.

36. IUPAC Hq; 2006.03.20; Project Outline OPCW-IUPAC Symposium and Study. The impact of advances in science and technology on the Chemical Weapons convention (CWC). Background material for the Second CWC Review Conference; document prepared by Ralf Trapp on pages 103-106 in the agenda book for the 133rd meeting of IUPAC Executive Committee in Dublin, Ireland, 1-2 April 2006.

Balali-Mood, M.; Pieter S. Steyn, P. S.; Sydnes, L. K.; Trapp, R. Impact of Scientific Developments on the Chemical Weapons Convention. Pure Appl. Chem. 2008, 80 (1) 175–200; https://doi.org/10.1351/pac200880010175

37. Pearson, G. S.; Becker, E. D.; Sydnes, L. K. Why Codes of Conduct Matter. Chem. Int. 2011, 33(6), 7-11; https://doi.org/10.1515/ci.2011.33.6.7

38. IUPAC Hq; Item 8: Organisation for the Prohibition of Chemical Weapons; minutes for the 133rd meeting of IUPAC EC in Dublin, Ireland, 1-2 April 2006.

39. Sydnes, L. K. CHEMRAWN: CHEMical Research Applied to World Needs. Chem. Int. 2010, 32(2), 12-13 (see also www.iupac.org/project/2009-013-1-021).

40. Sydnes, L. K. IUPAC, OPCW, and the Chemical Weapons Convention. Chem. Int. 2013, July-August, 4-8; https://doi.org/10.1515/ci.2013.35.4.4

41. K. Smallwood, K.; R. Trapp, R.; R. Mathews, R.; B. Schmidt, B.; L.K. Sydnes, L. K. Impact of scientific developments on the Chemical Weapons Convention (IUPAC Technical Report) Pure Appl. Chem., 2013, 85(4), 851–881; https://doi.org/10.1351/PACREP-12-11-18

42. For an account of the development of the document: https://documents.unoda.org/wp-content/ uploads/2021/04/OPCW5_The-Hague-EthicalGuidelines.pdf

43. www.opcw.org/sites/default/files/documents/PDF/The_ Hague_Ethical_Guidelines.pdf

44. The Memorandum of Understanding between IUPAC and OPCW is available online. https://www.opcw.org/ sites/default/files/documents/Industry/OPCW_IUPAC_ Signed_MoU_01Dec2016.pdf

45. OPCW and International Union of Pure and Applied Chemistry Take Partnership to New Level; https:// www.opcw.org/media-centre/news/2016/12/opcw-andinternational-union-pure-and-applied-chemistry-takepartnership

46. Forman, J.; Cesa, M. A Partnership of Science and Diplomacy to Eliminate Chemical Weapons; posted on the IUPAC homepage (https://iupac.org) 2019.09.18; https://iupac.org/100/stories/a-partnership-of-scienceand-diplomacy-to-eliminate-chemical-weapons

47. https://www.nobelprize.org/prizes/peace/2013/prizeannouncement

Leiv K. Sydnes (leiv.sydnes@uib.no) is Professor emeritus at University of Bergen, Norway. He was a member of the IUPAC Bureau from 1994 and the Executive Committee from 2000 through 2007, President 2004-2005, and chair of the CHEMRAWN committee in 2008-2015. He was also chair of the local organizing committee of IUPAC Workshop Impact of Scientific Developments on the Chemical Weapons Convention in Bergen, Norway, June 30 – July 3, 2002, and in charge of similar workshops in Zagreb, Croatia, April 22-25, 2007, and Spietz, Switzerland, February 21-23, 2012.

Spotlight on IUPAC Italian Young Observers

by Brian Li *, Matteo Guidotti *, Paola Albanese, Francesca Cardano, Luca Consentino, Sara Fulignati, Tommaso

Giovannini, Roberto Nisticò, Emilia Paone, Giacomo Trapasso

The IUPAC Young Observer Programme strives to introduce the work of IUPAC to a new generation of distinguished researchers and provide them with opportunities to address international science policy issues. For many Young Observers, the up-coming IUPAC General Assembly will be the first opportunity to meet each other and also meet IUPAC members. To get an early start on this unique encounter, Brian Li, a IUPAC Young Observer from UK, initiated a round of interviews with several YOs from Italy. In this article, you will read an introduction by Matteo Guidotti about Italian National Commission for IUPAC and the YO Programme, followed by interviews with eight Italian YOs about their research interests, knowledge of IUPAC, and career advice for young chemists.

Matteo Guidotti: Italy has been an active member of IUPAC since its founding in 1919. For decades, the country’s chemical scientific community has been represented within IUPAC by the National Research Council (CNR), Italy’s largest public research agency. In 2013, the CNR established the Italian National Commission for IUPAC, which consists of seven members selected from key sectors of chemistry, with active representation from academia, governmental institutions and the industrial sector. The Italian National Adhering Organization (NAO), in collaboration with the Italian Chemical Society (SCI), the main national chemistry association, promotes the submission of scientific projects and organizes events under the IUPAC banner. These efforts aim to foster stronger synergies with experts from other member countries and encourage the development of new collaborations among scientists with diverse disciplinary backgrounds. In this capacity, the Commission has consistently supported well-established IUPAC initiatives, such as the Gold Book update project and the annual Global Women’s Breakfast, while also contributing to new activities, such as translating the official IUPAC Periodic Table into Italian (2024-009-2-200). Additionally, the Commission disseminates the annual IUPAC Top 10 Emerging Technologies across the national scientific community. Supporting high-level educational programmes for young chemists and researchers has always been a priority for the Italian National Adhering Organization

(NAO). The Commission not only has promoted the organization of IUPAC international summer schools on Green and Sustainable Chemistry, but also encourages Italian participation in IUPAC Young Observer Programme (https://www.iupac.cnr.it/young-observers). Since 2009, the presence of Italian members in the programme has steadily increased. Every two years, the Italian Commission selects a team of 10 talented young scientists. These candidates are carefully chosen based not only on their scientific achievements, but also on their ability to proactively contribute to a larger scientific community. They then receive official endorsement to participate in IUPAC activities as Italian Young Observers. Serving as an IUPAC Young Observer can be a valid starting point for a successful career within the Union. For example, Pierangelo Metrangolo, who was an Italian YO with Division I (Physical and Biophysical Chemistry) in 2009, went on to serve as President of the same division in 2022–2023 and currently is Task Chair of two successful IUPAC projects (2024-006-3100; 2016-001-2-300). Looking ahead, the Commission aims to expand its support for the most promising young Italian chemists. This will involve not only formal endorsement and facilitation for international networking opportunities but also enhanced financial support to enable in-presence participation of a broader number of YOs in IUPAC’s key events worldwide.

Brian Li (BL): Tell us about yourself, your hometown/ country, where you go to school/work, your current role, etc.) and if this is your first time as a Young Observer. Are you involved in young chemists’ network at the moment?

Paola Albanese: I was born in Bari, in southern Italy, where I completed my studies in Industrial Biotechnologies. I developed a strong interest in the chemistry of biological systems, which led me to pursue a PhD in Chemical Sciences at the Department of Chemistry of the University of Bari. During this time, I dedicated four years to the development of cell-mimicking structures—referred to as Synthetic Cells—which convert light energy into chemical energy to fuel internal metabolic processes. After completing my PhD, I moved to the University of Siena, where I am currently working

Sara Fulignati

Paola Albanese, University of Siena

as a Research Scientist in Physical Chemistry, focusing on the development of stimuli-responsive Synthetic Cells. Having built my experience in a multidisciplinary research field, I find it especially stimulating to be part of scientific communities that foster dialogue, collaboration, and the dissemination of chemistry in all its forms—such as IUPAC does. This is why I am highly motivated to take on the role of Young Observer for the first time, with an active and constructive spirit, and to make the most of this opportunity. I am also involved in the Young Group of the Italian Chemical Society, and I am a member of the Royal Society of Chemistry. I am also involved in the IUPAC Division VI (Chemistry and the Environment) Young Observer Board, which promotes the active participation of young members in division activities.

Francesca Cardano: I have had the opportunity to start my first experience as Italian IUPAC Young Observer in 2024. I hold my studies in Italy where I graduated in Medicinal Chemistry and Pharmaceutical Technologies to then start a PhD in Chemistry with a curriculum on Nanobiotechnologies at the University

Giovannini,

Emilia Paone, Mediterranea University of Reggio Calabria,

Luca Consentino, University of Palermo

of Genova in affiliation with the Italian Institute of Technology. I spent one year of my PhD abroad at the University of Miami. After two postdoctoral experiences I am currently a research fellow at the University of Turin. I plan to grow as a researcher and as a teacher to transfer with enthusiasm organic chemistry related topics to students. I am deeply involved in the Public Engagement activities of the Chemistry Department at the University of Turin, especially together with Cluster Health within the Dipartimento di Eccellenza activities.

University of Pisa

Giacomo Trapasso, Ca’ Foscari University of Venice

Roberto Nisticò, University of Milano-Bicocc

Francesca Cardano, University of Turin

Tommaso

University of Rome Tor Vergata

Spotlight on IUPAC Italian Young Observers

Luca Consentino: I am originally from Palermo, Italy. I am pursuing my PhD in Chemical Sciences at the University of Palermo, in collaboration with the Institute for the Study of Nanostructured Materials (CNR-ISMN). I actively participate in national and international scientific meetings and communities dedicated to young researchers in chemistry. My current research focuses on catalytic materials for sustainable chemistry. This is my first time participating as a Young Observer at IUPAC, and I am truly honoured and excited for this opportunity.

Sara Fulignati: I come from Pisa (Italy), where I live with my husband and my son. I defended my PhD thesis in Industrial Chemistry with honors in March 2019 at the Department of Chemistry and Industrial Chemistry, University of Pisa, and then I served for four years as a Postdoctoral Researcher at the same Department. In May 2023, I became a Junior Researcher in Industrial Chemistry, and starting from March 2025, I am a Tenure Track Researcher at the same Department. I work on the development of sustainable catalytic processes for the synthesis of added-value products starting from wastes. In 2024, I was selected as Italian Young Observer for the first time.

2021, I returned to SNS as a Junior Assistant Professor, and most recently, in June 2024, I moved to Rome to join the University of Rome Tor Vergata. 2024 also marked my first time as an IUPAC Young Observer! I am also a member of International Younger Chemists Network.

Tommaso Giovannini: I was born in 1991 in a wonderful valley in Tuscany, between Arezzo and Florence, called Casentino, where I lived until I moved to Pisa to study at the Scuola Normale Superiore (SNS). As an SNS student, I completed both my Bachelor’s and Master’s degrees in Chemistry at the University of Pisa, where I graduated in 2015 in Physical Chemistry. The same year, I began my PhD in “Methods and Models for Molecular Sciences” at SNS, where I earned my doctorate in January 2019. I then spent two years in Norway as a Postdoc at the Norwegian University of Science and Technology in Trondheim. Then, in February

Roberto Nisticò: I graduated in Industrial Chemistry at the University of Torino (Dept. of Chemistry, Torino, Italy, my hometown) in 2011, where I also got my PhD in Chemical and Materials Sciences in 2015. Since the beginning of 2015 I was Post-Doctoral Fellow at the same University in Physical Chemistry, whereas in 2017 I moved toward the Polytechnic Institute of Torino (Dept. of Applied Science and Technology, Torino, Italy) working as Fixed-Time Researcher (RTDa) in Materials Science and Engineering. In 2019 I decided to leave Academia, moving to the Private Industry field, working firstly as Researcher for the Bio-ON SpA Company (CNS Unit, Castel S. Pietro Terme, Italy), and subsequently as GMP QC Analyst for the PolyCrystalLine SpA Company (Medicina, Italy). Since February 2022, I came back to Academia, working as Fixed-Time Tenure-track Associate Professor (RTD-b) at the University of Milano-Bicocca (Dept. of Materials Science, Milano, Italy), where I am currently serving as Associate Professor in General and Inorganic Chemistry. I am member of the Italian Chemical Society (SCI), and this was my first time as IUPAC Young Observer.

Emilia Paone: I was born and based in Reggio Calabria (in the south of Italy), where chemistry meets sunshine and sea views. I am currently a Fixed-Term Researcher (RTD-B) at Mediterranea University of Reggio Calabria, working in the field of heterogeneous catalysis, with particular emphasis on the sustainable valorization of waste and residues for the green production of high

Spotlight on IUPAC Italian Young Observers

value-added chemicals. I am and have been actively involved in various networks: I served as a Board Member of the Young Group of the Italian Chemical Society (SCI) and was also part of the European Young Chemists’ Network (EYCN). Actually, I am Board member of the Division of Industrial Chemistry of SCI, where I serve as secretary. In short, I love working in teams where science meets community. This is my first time as a Young Observer, and I am incredibly excited to join the IUPAC community!

Giacomo Trapasso: I was born in Venice, Italy and I conducted my PhD at the Ca’ Foscari University of Venice in collaboration with the Institute on Membrane Technology (ITM-CNR), the Green Chemistry Centre of Excellence in York (UK) and the University of Bath (UK). In Venice I am currently working as a postdoctoral fellow, focusing on the green synthesis of bio-based compounds, materials and solvents from biomass. I am currently involved in the initiatives sponsored by the Italian Chemical Society (SCI) such as conferences and summer schools, specifically those of the interdivisional group of Green and Sustainable Chemistry. This is my first time as a Young Observer, and I can’t wait to participate to my first IUPAC General Assembly in Kuala Lumpur in July!

BL: How did you develop you interest in Chemistry and what do you know about IUPAC?

Paola: My interest in chemistry came unexpectedly. In school I found chemistry difficult and couldn’t really grasp its practical relevance, whereas biology seemed to offer a more immediate understanding of the world around me. When I started my university studies in biotechnology, I explored cell biology in detail. I was fascinated by the processes taking place within such a

tiny, yet incredibly complex and organized, entity. That fascination gradually turned into a deep curiosity—and eventually a need—to understand how such biochemical processes were even possible. That’s where chemistry came in. It gave me the tools to understand how bonds form and break, why a molecule is stable or rapidly degrades, why biological structures spontaneously assemble into specific three-dimensional shapes, what are enzymatic kinetics are and how they work, why active sites are so selective, how a membrane channel opens, etc. All these answers—and many more—came to me through chemistry. I first knew IUPAC for developing the chemical nomenclature used worldwide. Subsequently I realised that IUPAC has made further incredible work for ensuring that chemists around the world speak a common scientific language e.g. aligning general terminology, measurements standard, atomic weight and similar. I found out that IUPAC is responsible for approving the insertion of new chemical elements in the periodic table, including the symbol and name decision (and also that there are many incredible stories behind this subject!). In general, it promotes chemistry globally by supporting projects, education, meetings, international collaboration, and the advancement of chemistry to address global challenges such as sustainability, health, and the environment.

Francesca: My curiosity toward scientific disciplines aroused since I was a kid being particularly interested in performing experiments in general, during my high school degree the chemistry laboratory, in particular, took my attention. This IUPAC YO experience is improving my knowledge about IUPAC as an international federation of national units going beyond the IUPAC role on Nomenclature and Periodic Table knowledge I mastered in the years, especially I am learning and appreciating the involvement of IUPAC to spread chemistry worldwide overcoming divisions and providing a common chemistry knowledge.

Luca: My passion for chemistry developed during my undergraduate studies, where I was fascinated by the role of chemistry in addressing environmental and energy-related challenges. Over time, this passion has grown even stronger, as I increasingly recognize the fundamental role that science plays in sharing knowledge and fostering global collaboration—removing social, cultural, political, and gender barriers. IUPAC, for me, represents the cornerstone of global chemistry, promoting standardization, innovation, and collaboration across disciplines and nations. I have always admired its mission to advance chemical sciences for the benefit of humanity.

Spotlight on IUPAC Italian Young Observers

Sara: My interest in Chemistry began when I was a child because I was fascinated by the idea that everything around us is subject to change, more or less visible, thus I started studying Chemistry and learning about how substances interact and react. I found that Chemistry is like solving a puzzle where every piece has a reason and my interest in Chemistry increased. Thus, during my studies and research, I learned about IUPAC, at the beginning for the nomenclature issue and then as an international organization within which it is possible to meet and collaborate with other people around the world with the same interests and passions as me.

Tommaso: My interest in chemistry began about a year before I start1ed university, when I chanced upon the textbook General Chemistry by Paolo Silvestroni, which I then realized was a classic in many Italian chemists’ libraries. I was fascinated by how chemistry can rationalize the properties of matter through simple equations and rules, bringing together physics and mathematics (my other two passions). This naturally led me to specialize in physical chemistry, and later to focus on theoretical and computational chemistry. Every chemist is familiar with IUPAC as the international authority responsible for naming new elements and standardizing the chemical language. The experience as a IUPAC Young Observer is giving me the unique opportunity to discover how the organization works, its structure, its projects, and its impact on the global chemistry community.

is largely known for its regulatory activity, whose primary purpose is to find a common language necessary for regulating the Chemistry nomenclature. Since my selection as IUPAC YO, I realized that this is merely the tip of the iceberg. “There’s plenty of room at the bottom”, to quote the famous lesson by the American Physicist Richard Feynman.

I found that Chemistry is like solving a puzzle where every piece has a reason and my interest in Chemistry increased.

-Sara Fulignati

Emilia: My interest in chemistry began when I realized it had the extraordinary power to transform anything, turning the ordinary into something new, better and even magical. It can turn waste into wealth, and I was fascinated by the mission to give discarded materials a new, long, and sustainable life, challenging the idea that “everything that has a beginning must also have an end.” Since then, I have been captivated by the power of catalysis and the endless possibilities of sustainable innovation. As for IUPAC, I see it as a true “chemical compass”, guiding us in naming, understanding, and communicating chemistry, while fostering global connection, inclusivity and collaboration among curious minds across the world.

Roberto: I started being fascinated by science since childhood. Probably this interest in wildlife and the infinitely small can be due to the numerous documentaries seen on television together with my grandfather. During high school I finally discovered Chemistry: the central science able to connect and explain everything that surrounds us (and even more). From that moment, I decided that I wanted to be a Chemist! Moreover, if we consider also that precisely among the laboratory benches during my University studies I also found love (and my current wife!), every time I think about Chemistry I cannot do it without a sincere smile! Regarding IUPAC, of course, the first time I came across to IUPAC was during the University courses. In general, the IUPAC

Giacomo: When I was little, I went to the cinema to watch Harry Potter and the Philosopher’s Stone and I became fascinated by the story of this ancient alchemist which was able to make this legendary substance which could transform any metal into pure gold. Despite learning afterwards that this substance does not exist (so far), I understood that chemistry could be a useful tool to transform matter by rearranging atoms in the chemical structure and this was even more magical than any movie. I firstly came across IUPAC during my bachelor as I was struggling to learn how to properly name each chemical structure. As I progressed in my studies, I found out that IUPAC also promotes research, outreach activities and international cooperation by financing conferences, schools and projects.

BL: What is your current and future career goal, and what aspect of your research/work are you most excited about?

Paola: In the near future, I aspire to continue my academic career, aiming to strike a balance between

Spotlight on IUPAC Italian Young Observers

research, teaching, and active participation in professional networks, including organizations or scientific societies. Throughout my academic journey, I have specialized in the design and engineering of cell-mimetic structures, Synthetic Cells (SCs), that can be tailored to perform a wide range of functions. One of the most exciting aspects of SCs is versatility: these systems can offer smart and innovative solutions to challenges across various fields. For instance, I used SC engineering to develop drug carriers with controllable cargo-release (10.3390/ pharmaceutics14122777 ), to encapsulate enzymatic networks and observe compartmentalized chemical oscillations (10.1016/j. xcrp.2024.102367), or create light-powered multicompartment SCs capable of complex biochemical reactions with spatial segregation of functions (10.1073/ pnas.2012170118). Moving forward, I plan to focus on exploring new research lines currently being launched in our lab. These include catalysis on SC membranes, the development of SCs that entrap and degrade persistent pollutants and the assembly of CO2fixing SCs through bio-inspired pathways that do not occur in nature.

IUPAC is largely known for its regulatory activity, whose primary purpose is to find a common language necessary for regulating the Chemistry nomenclature. Since my selection as IUPAC YO, I realized that this is merely the tip of the iceberg.

-Roberto

Nisticò

Luca: One of my main career goals is to continue working in scientific research after completing my PhD, building upon the work I am currently carrying out. I aspire to contribute to the field of sustainable catalysis by developing innovative materials and processes that can accelerate the green energy transition and mitigate environmental impacts. My current research focuses on the design and synthesis of nanostructured catalysts for key applications such as NOₓ conversion, CO₂ valorization, hydrogen production, and synthetic natural gas (SNG) generation. I am particularly excited by the potential of nanostructured catalysts to unlock new reactivity patterns, enhance process selectivity, and significantly lower the environmental footprint of industrial chemistry. Among my recent contributions, I have studied hydrogen production via steam reforming of ethanol and dry reforming of methane with CO ₂ (10.3390/molecules29112575), and investigated supported Ni-based catalysts for methane production from CO₂ (10.1016/j.jcou.2025.103076). These studies aim to provide efficient, scalable, and sustainable catalytic systems that could find application in future energy and chemical production processes.

Francesca: Currently, I am planning to consolidate my experience as a researcher, as a supervisor and as a teacher in organic chemistry to become in the near future an independent researcher and grow a small research group. My research interests are focused on the synthesis and photophysical studies of small molecules as photochromic or fluorescent compounds for applications in chemical biology and within the biomedical fields. I am particularly interested in the application of molecular photoswitches in controlling drug activity (10.1039/C9DT02092F) or in imaging purposes (10.1039/C8CC09482A). Additionally, I am curious about many fluorescent tools for imaging (10.1002/ ejoc.202200833; 10.1016/j.dyepig.2021.109644) and theragnostic outcomes including the study of unconventional peptide nucleic acids investigating them from the synthetic and applicational viewpoints.

Sara: My research focuses on the catalytic valorisation of waste biomasses and their derivatives from the perspective of Green Chemistry. I investigate the synthesis of industrially relevant platform chemicals from both model and real feedstocks, also including the application of innovative heating systems like microwave reactors (10.1016/j.apcatb.2017.01.056; 10.3390/catal12101189). My work also encompasses the conversion of these platform chemicals into renewable monomers (10.1002/cssc.202200241; 10.1016/j.jiec.2021.04.057), biofuels (10.1016/j. cattod.2023.114054; 10.1039/c8nj03569e), and chemicals (10.1016/j.cattod.2023.114288; 10.3390/ molecules29010126). Additionally, I explore the fractionation of various waste biomasses aiming to valorise each component into value-added compounds and materials that can be used as soil amendments and as

Spotlight on IUPAC Italian Young Observers

adsorbents for pollutants, according to the circular economy principles (10.1021/acssuschemeng.4c05508; 10.1016/j.wasman.2023.06.012). Therefore, the main goal of my work is to contribute to the transition from a fossil-based economy to a sustainable economy based on renewable raw materials, particularly waste. What excites me most about my research is the opportunity to actively contribute to the creation of a more sustainable, cleaner, and safer world in which future generations can grow.

Tommaso: I am a theoretical and computational chemist, passionate about modeling complex chemical systems with relevance in various fields, from sustainable chemistry to nanophotonics. The systems I study are generally characterized by molecular compounds interacting with an external environment ( 10.1063/5.0216596 ) from molecular solutions ( 10.1039/C9CS00464E ; 10.1039/d2cc07079k ) to nanostructured substrates (101.1021/acs. jpclett.4c03591), such as nanoparticles (10.1021/ acsphotonics.2c00761 ) and low-dimensional materials (10.1021/acs.jpclett.0c02051). What excites me the most about my research field is how theoretical and computational chemistry is evolving toward a more realistic description of complex systems and phenomena, bridging the gap between theory and experiment, not only to rationalize experimental findings, but also with predictive power to address real-world challenges.

It is chemistry that wants to change the world, one reaction at a time.

-Emilia Paone

second topic I am currently facing with is the development of advanced catalysts for the energy field, with the final aim of finding a technological solution able to favour the achievement of the energetic independence. In particular, I am focusing my interest on the synthesis of inorganic catalysts (mainly metal oxides) for the electrochemical reactions of hydrogen evolution (HER), oxygen evolution (OER) (10.1039/D5IM00008D) and more specifically the reduction of CO2 into valuable chemicals and renewable fuels (CO2RR). I started exploring the properties of Cu oxides (Cu2O and CuO) for the catalytic conversion of CO2, and the role played by the different morphologies in driving toward a specific chemical product. Personally, I found this field of research extremely appealing and strategic, especially if we consider the possibility of recovery and storage CO2 from our atmosphere and convert it into valuable chemicals. This approach guarantees a double beneficial effect for the environment, as we can both reduce the consumption of traditional fossil fuels and re-convert the exhausted CO2 again into usable chemicals.

Roberto: At present, I have two primary interests that are absorbing my current research activity, which is always at the interface between Inorganic Chemistry, Materials Science, and Nanotechnology. The first one is an old friend of mine I’ve been dealing with since the beginning of my Post-Doctoral career: the study of magnetic properties of Fe-based nanomaterials, and their technological exploitation, especially in the field of the environmental remediation. Currently, I started investigating the synthesis of magnetic ferrite systems, focusing on the important role played by the chemical (doping) elements in terms of magnetic response and crystal structure (10.1016/j.jallcom.2024.173628), as well as new synthetic routes to obtain anisotropic morphologies (10.1016/j.colsurfa.2024.135117) and new recycling protocols (10.1002/cssc.202401698). The

Emilia: My current research focuses on heterogeneous catalysis for the sustainable valorization of waste and residues, from agro-industrial leftovers, plastic wastes to spent batteries, into valuable chemicals and intermediates (10.1039/C6CY01626J; 10.1021/acssuschemeng.8b01593; 10.1016/j. mcat.2020.111228; 10.3390/su13052428; 10.1021/ acssuschemeng.1c08008; 10.1039/D0CS00041H).

I am especially excited by the idea of combining circular economy principles with cutting-edge materials science. It is chemistry that wants to change the world, one reaction at a time. In the future, I aim to become a professor and continue driving forward applied research in green chemistry, hopefully continuing to be part of some inspiring network teams and inspiring a new generation of scientists who think sustainability is not a trend, but a duty. It is chemistry that makes molecules, and minds, cleaner.

Giacomo: At present, my goal is to research for easy and greener synthetic procedures for the upgrading of biomass wastes with potential upscaling capacities, thus creating a bridge between university and industry.

Spotlight on IUPAC Italian Young Observers

I hope that the acquired skills as a researcher will be useful for my future career either in academia or in industry. What I find exciting about my work is the freedom of practically apply your ideas and theories for the development of your own project. In the case of green chemistry, what could be initially considered as a waste such as biomass residues, can be converted into a useful material or molecule with countless applications. In addition, the possibility of travelling around the world participating to international conferences and sharing ideas with the scientific community is one of the best parts of this profession. My research focuses on the conversion of biomass into valuable compounds which can be employed to produce more complex molecules and materials. For the longest time, I concentrate my attention on the green synthesis of furanic compounds such as 5-hydroxymethyl furfural (HMF) (10.1021/ acs.oprd.2c00196) 2,5-furandicarboxylic acid (FDCA) (10.1039/D1GC04408G; 10.3390/catal13071114) and their derivatives (10.1002/ejoc.202400134; 10.1002/ adsu.202200297) starting from sugars. During my PhD I also worked on new green synthetic procedures for the production of novel organic carbonates and their applications as green media for polymeric membranes preparation (10.1016/j.scp.2022.100639; 10.1021/ acssuschemeng.2c06578) in collaboration with the Institute on Membrane Technology (ITM-CNR) in Italy.

BL: What IUPAC Divisions / Committees / Projects are of interest to you and why?

Paola: I am currently participating in Division VI (Chemistry and the Environment) and Division I (Physical and Biophysical Chemistry) meetings. I recently started to participate in the activity of the project entitled Advanced Technologies for Carbon Sequestration and Capture (2023-023-1-600) chaired by Diane Purchase. I would be enthusiastic about continuing my involvement with IUPAC, contributing actively to its initiatives. I am particularly interested in developing my own project for example it could be aimed at assessing the limits and the benefits potentially associated with the replacement of industrial microorganisms with engineered SCs.

Francesca: I am particularly interested in Division III (Organic and Biomolecular Chemistry) and Division VII (Chemistry and Human Health) which match my research interests with the purpose to cooperate for novel chemistry outputs toward a worldwide synergistic approach. Committee on Chemical Research Applied to World Needs (CHEMRAWN) and Committee on

Chemistry Education (CCE) complete my interests in the IUPAC scenario due to the willingness to apply research development for improving universally people quality of life by means of new technological and scientific discoveries, extending chemistry education to the next generations of citizens applying a uniform and equal learning approach worldwide.

Luca: I am particularly interested in Division II (Inorganic Chemistry) and Division VI (Chemistry and the Environment), as they align closely with my research fields and future goals. Division VI plays a crucial role at this time of global transition, where sustainable and responsible chemical practices are more important than ever. Moreover, I am keen to observe the activities of the Interdivisional Committee on Green Chemistry for Sustainable Development (ICGCSD) and Committee on Chemistry and Industry (COCI). I believe these committees are essential for promoting sustainable practices and encouraging innovation that connects academic research with industrial applications.

Sara: Based on my research interest, I am involved in the YOs group of Division VI (Chemistry and the Environment) because its work on carbon sequestration, removal of pollutants and the characterization of humic substances. Moreover, since I have always worked in the field of Green Chemistry and the development of sustainable processes, I am interested in the Interdivisional Committee on Green Chemistry for Sustainable Development (ICGCSD).

Tommaso: My research activity has focused on the theoretical and computational study of complex systems and nanostructured materials, and finds a natural fit at the intersection of Division I (Physical and Biophysical Chemistry) and Division II (Inorganic Chemistry), as well as the related projects. Also, I am currently the principal investigator of a research unit within a national Italian project devoted to water remediation, which aligns with the goals of Division VI (Chemistry and the Environment) and Interdivisional Committee on Green Chemistry for Sustainable Development (ICGCSD). As a theoretical and computational chemist, I also strongly feel the need to contribute to the Committee on Publications and Cheminformatics Data Standards (CPCDS) and related projects, because I believe in the importance of making scientific outputs more accessible, interoperable, and reusable by the community. Finally, I have always been passionate about chemistry education and outreach, and I would be glad to contribute to the Committee on Chemistry Education (CCE)

Spotlight on IUPAC Italian Young Observers

and related projects. Over the years, I have organized internships for high school students and given informative talks in local high schools, aiming to inspire the next generation of scientists.

Roberto: Among the IUPAC Divisions I think that the Division II (Inorganic Chemistry) is the most interesting one, mainly because I found an existing synergy between this Division and my personal interests, related to the development of inorganic (nano)materials for the environment and the sustainable catalytic production of energy. Committee on Chemical Research Applied to World Needs (CHEMRAWN) would be interesting for me to discuss with other Colleagues on current issues, anticipating future problems of chemical interest, with the final aim of finding practical solutions that can improve our daily live.

Emilia: I am especially fascinated in Division VI (Chemistry and the Environment), this aligns perfectly with my research on sustainable catalysis and the valorization of waste materials. I am particularly drawn to interdisciplinary efforts that address environmental challenges through innovative chemistry. As an active member of young chemists’ communities, I am also interested in International Younger Chemists’ Network (IYCN) as I strongly believe in the power of youth as a driving force for the future of science. Supporting early-career researchers, promoting inclusivity, and creating opportunities for young scientists to grow and connect globally are priorities I deeply care about. These initiatives reflect both my scientific mission and my personal values: collaboration, sustainability, and empowering the next generation of chemists.

Giacomo: During my studies, I concentrated mainly on the application of the green chemistry principles for the development of sustainable organic syntheses. For this reason, I believe that participating as a Young Observer to Division III (Organic and Biomolecular Chemistry) and to Interdivisional Committee on Green Chemistry for Sustainable Development (ICGCSD) and Committee on Chemistry and Industry (COCI), which base their activities in organic and green chemistry, will constitute an ideal occasion to exploit this opportunity. Particularly, observing closely the work of these committees will allow me to be updated with the new advancements in the sector while at the same time understand the structure and the activities of this group of scientists and researchers. I am also interested in some IUPAC projects: Green Chemistry impact toward

2050 Green Deal in Chemistry and Sustainability (2022-017-3-041); Assessment of the Contribution of IUPAC Projects to the Achievement of the United Nations Sustainable Development Goals (2020-011-2041); Metrics for Green Syntheses (2017-030-2-041).

BL: Where can we see you in the next few months, are you going to any conferences, any poster or talk, or any volunteer work you are involved in?

Paola: In the coming months, I plan to attend the Physical Chemistry Annual Meeting of the Italian Chemical Society, possibly presenting either a talk or a poster. Another area I would be eager to explore is the participation of women in chemistry PhD programs and academia more broadly, examining the current global landscape and identifying strategies to foster more inclusive and equitable scientific environments.

Francesca: Unfortunately, I will not have the chance to join the 2025 Congress in person, but I will be happy to learn about this experience from the Italian YOs who will participate thanks to the exchanging network we are building together in these months.

Luca: This year has started with my participation at the 3rd Greenering Conference at Khalifa University in Abu Dhabi, UAE, where I presented an oral talk related to part of my PhD research project. In the near future, I will also present a work on CO2 valorization at the International Conference on Environmental Catalysis (ICEC 2025). I will have the pleasure to present another oral talk at IUPAC 2025, where I am excited to finally meet IUPAC members and experience the IUPAC community in person.

Sara: In the month of June, I will have the opportunity to participate in the International Conference on Environmental Catalysis (ICEC2025). I will present an oral contribution entitled “Development of an innovative biorefinery process by the one-pot fractionation of defatted cardoon”.

Tommaso: Over the next few months, I will be attending several conferences. I will attend World Conference on Gold 2025, followed, by NanoSeries2025 Conference and Triennal Congress of the World Association of Theoretical and Computational Chemists (WATOC). I will attend the workshop Open Quantum Systems in Chemical Systems during IUPAC 2025, and International Conference on Metamaterials, Photonic Crystals and Plasmonics (META 2025).

Spotlight on IUPAC Italian Young Observers

Roberto: This year I have already participated as invited speaker to the Scientific Symposium connected to the PhD Winter School Green Chemical Synthesis for Circular Economy with a talk titled “Green pores: How to shape porosity in nanomaterials in a sustainable way”. In the next few months, I will not attend any conferences, since I have to dedicate this period to research activities connected to the end steps of two funding projects where I am involved in. However, some planned disseminations activities will involve other members of my research team. In particular, there will be two scheduled contributions expected during the International Conference on Environmental Catalysis (ICEC2025), both dedicated to our recent efforts in the design of advanced catalysts for the energy field.

Emilia: I am truly excited to attend IUPAC 2025 to present my work, exchange ideas with colleagues from all over the world, and be inspired by the vibrant international chemistry community. It will be a great opportunity to grow both scientifically and personally. I can’t wait for it to happen!

Giacomo: I am participating to the XVII International Postgraduate Summer School on Green Chemistry with a lecture about the usage of green metrics in organic synthesis. Shortly after I am attending the IUPAC 2025 to present an oral communication about some of the latest findings in my research and will become my first event as a Young Observer. I am looking forward to it!

BL: Can you share one piece of career-related advice with other young chemists?

Paola: In my experience—particularly in Italy—I’ve noticed that many chemists tend to focus exclusively on the specific area to which their research belongs. There is often a general resistance to embracing interdisciplinary approaches, largely due to cultural legacies and the communication challenges that arise between different scientific ‘languages’. My advice to young chemists entering the world of research is to stay open-minded and nurture curiosity—even for subjects seemingly distant from their own work. Inspiration can come from a casual conversation with colleagues next door, or just one floor above. Often, we don’t even know what our neighbors are working on! Engaging in dialogue with scientists from fields or divisions other than our own, especially within a scientific society, can be incredibly enriching. Not every exchange of ideas will lead to immediate progress in one’s own research, but it can help shape a mindset towards finding creative

and original solutions, ultimately fostering scientific innovation and advancement.

Francesca: To be always curious to understand and learn something new and to keep your passion as the first motivation to lead your daily activities.

Luca: Stay curious, embrace interdisciplinary approaches, and never underestimate the value of building an international network. Chemistry is a collaborative science, and learning from diverse perspectives can open up unexpected and rewarding opportunities.

Sara: The advice I can give to young chemists is to never stop being curious about the world around us, not to be discouraged by the failures that research inevitably brings, but rather to see them as starting points for achieving new discoveries.

Tommaso: One of the most important pieces of advice I can share is to find great mentors who truly value and support you. Since my undergraduate studies, I have been fortunate to have outstanding mentors who have made me grow scientifically and personally, by working on my weaknesses and building on my strengths. At the same time, I believe it is essential to travel, attend conferences, and meet other scientists. Building a network, exchanging ideas, and putting your research into a broader context (scientific, societal, or even philosophical) can be a valuable source of growth and inspire your future work.

Roberto: Personally, I believe that there are only two career’s approaches that will help young Chemists to survive to the jungle that surrounds us, namely: either being extremely specialized (like koalas and pandas) or being invasive (or better pervasive, like mice and rats). My recommendation is trying to be as much pervasive as they can, trying to be multidisciplinary and open mind, especially toward new fields of research and emerging topics.

Emilia: This is the kind of question I truly love, because I have always admired those who took the time to share something inspiring with me. So here’s mine: Believe in your ideas, even when they seem too ambitious, especially then. Surround yourself with mentors and colleagues who both challenge and support you, and who, over time, you can proudly call friends. Science is a team effort, and collaboration is often the key to both innovation and personal and professional success. Be curious, it is your most powerful tool, and

Spotlight on IUPAC Italian Young Observers

the only one that never runs out. Be resilient, because there will be obstacles, failures, rejections, and unexpected turns, but when success comes, you’ll enjoy it even more. And whatever you do, have fun! Passion and joy are fuel. Being a chemist is one of the most beautiful things and it is truly wonderful to smile while changing the world.

Giacomo: Even if I do not feel to have gathered enough experience to be able to give life-changing advice, what really improved my approach toward research and boosted my desire to learn and discover new things, was the mentor/supervisor choice. Therefore, what I feel telling my other young colleagues which are starting their journey into research (maybe with a PhD), is to focus their attention on the mentors and research group they are willing to work with, rather than the specific topic they are researching. I believe that a healthy work environment and passionate supervisors and colleagues is one of the most important parts for your future career. I wish you all the best!

Brian Li, IUPAC Subcommittee on Publication, Chemistry International Editorial Board, International Younger Chemists Network, Email: brian@ iupac.org, orcide.org/0009-0003-1266-1404

Matteo Guidotti, <matteo.guidotti@scitec.cnr.it> Chair of Italian National Commission for IUPAC, Italian National Research Council CNR, orcide.org/0000-0002-9759-2561

Paola Albanese, University of Siena, 0000-0002-0901-0956

Francesca Cardano, University of Turin, 0000-0003-3237-5408

Luca Consentino, Institute for the Study of Nanostructured Materials and University of Palermo, orcid.org/0000-0002-5915-1693

Sara Fulignati, University of Pisa, orcid.org/ 0000-0003-4971-2095

Tommaso Giovannini, University of Rome Tor Vergata, orcide.org/00000002-5637-2853

Roberto Nisticò, University of Milano-Bicocca, orcid.org/0000-0001-89865542

Emilia Paone, Mediterranea University of Reggio Calabria, orcid.org/0000-0001-8184-750X

Giacomo Trapasso, Ca’ Foscari University of Venice, orcid.org/0000-0001-8951-1461

Spotlight on IUPAC Young Observers—Call for input

Last year, Daniel (Dan) Reddy initiated a series shining the spotlight on recent IUPAC Young Observers (YOs); the first two were Silvina Di Pietro and Tien Thuy Quach (Chem Int. Oct 2024, p.6-7; https://doi. org/10.1515/ci-2024-0402). Through the spotlight article, Silvi and Tien were able to share the impact of serving as an IUPAC YO, as well as IUPAC initiatives about which they are interested and passionate. In the next issue, two other YOs from Italy, Fabiana Piscitelli and Elisa Carignani will reflect on their experience.

In each piece, the YOs are invited to respond to the following four prompts:

1) Tell us about yourself (e.g.,Your hometown/country, where you go to school/work, your current role, etc.) and if this is your first time as a Young Observer.

2) Describe some of your favorite/transformative/ valuable experiences in your role as a YO at the IUPAC World Chemistry Congress/General Assembly (GA).

3) How will you use these experience(s) as you progress, and how might you advise/encourage individuals who are hoping to serve as YOs and/or become involved within the broader chemical community, especially IUPAC? and

4) If you had a couple hours each week to contribute to IUPAC, to which project (already initiated or not yet started), would you contribute these hours?

Young Observers are invited to share their experience. Stay tune for other YOs stories!

Feature Articles

Contact the editor for more information at <edit.ci@iupac.org>.

IUPAC Wire

News and information on IUPAC, its fellows, and member organizations. See also www.iupac.org/news

Omar M. Yaghi Receives the 2025 IUPAC-Soong Prize

IUPAC proudly announces Omar M. Yaghi as the first recipient of the IUPAC-Soong Prize for Sustainable Chemistry. The prestigious award honors Yaghi for his groundbreaking work in Reticular Chemistry, a field he founded, which has revolutionized the chemistry of creating new materials and provided new pathways to address climate and water challenges facing our planet.

Yaghi’s innovative research has led to developing metal-organic frameworks (MOFs) and covalent organic frameworks (COFs)—materials with vast potential in carbon capture, clean energy storage, and atmospheric water harvesting. His discoveries have advanced fundamental chemistry and translated into scalable solutions for a more sustainable future. Numerous international awards, including the prestigious Wolf Prize, ENI Award, Balzan Prize, Solvay Prize, and Tang Prize, have also recognized him.

“This award reflects the deep commitment of the scientific community, most especially the IUPAC, to tackling the global challenges of sustainability,” said Yaghi. “I am honored to receive this recognition and

Omar Yaghi displays models of the frameworks that represent his career of research. photo courtesy of Science History Institute.

proud to contribute to a vision where science drives real-world impact.”

The IUPAC-Soong Prize, launched in 2025, recognizes individuals whose chemistry-related research directly supports the UN Sustainable Development Goals. The prize includes a certificate, a commemorative medal, and a monetary award of $ USD 30,000 to be presented at the upcoming IUPAC World Chemistry Congress—14-19 July 2025—and an invitation to deliver a plenary lecture at the National Taiwan University.

“Professor Yaghi exemplifies the spirit of innovation and environmental responsibility,” said Ehud Keinan, President of IUPAC. “His work empowers global efforts to combat climate change and address water scarcity through chemistry.”

Professor Yaghi currently serves as the James and Neeltje Tretter Chair Professor of Chemistry at the University of California, Berkeley, and Chief Scientist of Bakar Institute of Digital Materials for the Planet, which aims to develop cost-efficient, easily deployable materials to address the global sustainability challenges.

For more information on the IUPAC-Soong Prize and its mission, visit: https://iupac.org/what-we-do/awards/iupac-soong-prize/

Winners of the 2025 IUPAC-Solvay International Award for Young Chemists

This prestigious award recognizes the best Ph.D. theses in the chemical sciences, as described in 1000-word essays.

Each of the five winners, representing diverse research fields and regions, will receive a cash prize of USD 1000 and travel support to the 2025 IUPAC Congress in Kuala Lumpur, Malaysia—14-19 July 2025—Winners will present a poster at the Congress and submit a short critical review on their research for publication in Pure and Applied Chemistry.

• Selen Ayaz (Türkiye) Çanakkale Onsekiz Mart University, Türkiye

“Development and biotechnological applications of optical and electrochemical sensors/biosensors based on bis-neocuproin copper (II) complex”

https://orcid.org/0000-0003-0320-3551

• Sahel Fajal (India) – Indian Institute of Science Education and Research, Pune, India

“Advanced functional porous materials and their hybrid composites for energy-efficient chemical separation application”

https://orcid.org/0000-0002-0546-3018

• Maggie Horst (USA) – Stanford University, USA

“Structure-reactivity relationships in cyclobutane-containing polymers for understanding force-induced reactivity”

https://orcid.org/0000-0002-9794-5355

mechanophore.github.io

• Muhammad Muddasar (Pakistan) – University of Limerick, Ireland

“Lignin-derived materials for energy harvesting and storage devices”

https://orcid.org/0000-0001-7923-4499

• Jiarui Yang (China) – Tsinghua University, China

“From single-atom catalysts to organo-electrocatalysts: the new alternatives for electrocatalysts”

https://orcid.org/0000-0001-8238-7699

This year’s competition received 49 applications from Ph.D. graduates across 18 countries. The award selection committee was chaired by Javier García Martínez, IUPAC Past President. The awards will be formally presented at the Opening Ceremony of the 2025 IUPAC Congress, where winners of both the 2024 and 2025 competitions will be honored.

Honorable Mentions

In recognition of the high-quality submissions, the selection committee also awarded Honorable Mentions to four outstanding candidates:

• Kangjie Bian (China) – Rice University, USA

• Yahao Dai (China) – University of Chicago, USA

• Mark Robertson (USA) – University of Southern Mississippi, USA

• Yunyan Sun (China) – University of Illinois at Urbana-Champaign, USA https://iupac.org/winners-of-the-2025-iupac-solvay-internationalaward-for-young-chemists/

Awardees of the 2025 IUPACZhejiang NHU International Award for Advancements

in Green Chemistry

The IUPAC-Zhejiang NHU International Award for Advancements in Green Chemistry seeks to recognize the contributions of one experienced chemist and three early career chemists for their work in advancing the field of green chemistry. These awards, started in 2019, are presented every two years and include monetary recognition of their accomplishments of USD 10 000 for the experienced chemist and USD 2 000 per early career chemist. In

Selen Ayaz

Sahel Fajal

Maggie Horst Muhammad Muddasar Jiarui Yang

addition, USD 1 000 traveling expense is provided for each winner to attend the award ceremony.

1. With congratulations, we would like to announce the 2025 winners. The experienced chemist winner is Javier Pérez-Ramírez of the Catalysis and Chemical and Bioengineering Department at the ETH Zurich. The three early career winners are Jianbin Li from the Chinese University of Hong Kong, Shenzhen, Philip Stanley from the Technical University of Munich, Germany, and Sahel Fajal from the Indian Institute of Science Education and Research, Pune, India. The awards ceremony for the recipients will be held at the 50th IUPAC World Chemistry Congress (50WCC) 2025 in Kuala Lumpur, Malaysia, 14-19 July 2025.

The award winners are invited to present their work at the 50WCC and write a critical review for Pure and Applied Chemistry. Congratulations to the winners.

Main achievements of the winners

Over the course of his career, Javier Pérez-Ramírez made significant contributions to green chemistry, transforming the landscape of sustainable chemical and energy production. His work on catalytic processes included his breakthrough In2O3 catalysts for green methanol synthesis and highlighted the potential of reducible oxides. This technology is now being piloted in industry. He made revolutionary strides in electrocatalysis for renewable energy conversions including work on nickel electrocatalysts for CO2 conversion to longchain hydrocarbons and fundamental contributions to the oxygen evolution reaction and N2 electroreduction for decentralized ammonia production. In chemical plastic recycling he advanced new catalyst design for converting large-volume polyolefin waste streams into valuable chemicals and highlighted the importance of transport phenomena for ensuring high catalyst

effectiveness. He is pioneering data science tools such as AI and machine learning to accelerate catalyst discovery and optimization. His approach is distinguished by the integration of sustainability metrics into chemical process design and incorporation of lifecycle analysis and planetary boundaries to guide catalysis research, ensuring innovation aligns with environmental responsibility. Pérez-Ramírez has over 500 journal publications and 25 filed patents. His many accolades, coupled with leadership roles in journals and research programs underscore his holistic vision and profound impact on the field of green and sustainable chemistry. Follow his work at https://orcid.org/0000-0002-5805-7355

As a young investigator with a deep interest in advancing green chemistry, Jianbin Li is committed to addressing global challenges including resource depletion, energy scarcity, and environmental pollution. Drawing inspiration from nature, he focuses on exploring the potential of light and enzymes in chemical transformations, with the aspiration of making these approaches more practical and accessible for modern chemistry. His research spans a broad spectrum, from designing small molecules to macromolecules, and incorporates the use of photoactive reagents, organophotocatalysts, metallaphotocatalysts, and biocatalysts under straightforward and mild conditions. While working within these frameworks, he also integrates interdisciplinary tools such as high-throughput experimentation, artificial intelligence, and machine learning to guide his efforts in reagent development, catalyst refinement, and reaction discovery. Through these endeavors, he aims to simplify reaction conditions, enhance efficiency, and contribute to greener, more sustainable chemical processes, hoping to provide alternative approaches that align with the principles of green chemistry and bring lasting value to

Four recipients of the 2025 IUPAC-Zhejiang NHU Award from left to right: Javier Pérez-Ramírez, Sahel Fajal, Jianbin Li and Philip Stanley

IUPAC Wire

the scientific community and beyond. Follow his work at https://orcid.org/0000-0003-4956-7625

Philip Stanley’s work focuses on solar fuel production as a promising source of sustainable energy from solar light (a non-exhaustible source of energy), water and carbon dioxide. While molecular artificial photosystems deliver unique opportunities such as high product selectivity and atom economy, they often lack stability and recyclability, as well as controlled active site positioning for scale-up. These challenges are addressable by interfacing them with host materials, where metal–organic frameworks (MOFs) show beneficial characteristics including permanent porosity and modular building principles that tune properties and the chemical reaction environment. Such nano-scale reaction space design is modelled from natural enzymes and termed “nanozyme”. Stanley discovered new hybrid MOF materials that allow efficient conversion of solar energy to fuels by reducing carbon dioxide and oxidizing water simultaneously in one material— thereby mimicking the working principles of natural photosynthesis to a certain extent. He is building on these results to show i) the viability of this approach and ii) increasing light harvesting efficiency; even surpassing nature’s apparent quantum yields. He hopes to push the limits of these lab-scale materials towards sustainable industrial chemical processes and patent applications for real-world sustainable applications. Follow his work at https://orcid.org/0000-0002-1951-4074

The fundamental objective behind Sahel Fajal’s research work is the design and development of innovative advanced functional porous materials for the separation of toxic chemicals, particularly those fostering environmental sustainability. In the pursuit of mitigating environmental challenges such as pollution, climate change, and resource depletion, the development of advanced porous materials has emerged as a promising avenue for innovative solutions. Among his works, as an example, he developed a unique acid-vapor-assisted solid-state synthetic strategy to construct novel ionic nanoadsorbents with large order porosity, which demonstrate enhanced sorption properties towards various toxic species. His methodologies to fabricate novel porous hybrid materials enable the development of unique nanocomposites, highly useful for sequestration applications. For example, he developed a method to construct ultralightweight hybrid aerogel materials, which showed efficient collection of heavy metal ions and radioiodine. Based on the principles of ion exchange and host-guest interactions, efforts have been made for effective separation of various environmentally toxic gases (radioactive organic-iodides

and iodine species) and water contaminants (organic pollutants and inorganic metal species). This approach not only minimizes the use of hazardous chemicals in cleanup processes but also promotes the recycling of resources and the reduction of waste, aligning with the principles of green chemistry that prioritize environmental safety and sustainability. Ultimately, his research contributes to the development of innovative technologies that support a cleaner, healthier planet. Follow his work at https://orcid.org/0000-0002-0546-3018

The IUPAC-Zhejiang NHU International Award, managed by the ICGCSD of IUPAC, is presented every two years. The awards for 2027 will be announced in 2026. For further information about the IUPACZhejiang NHU International Award, see https://iupac. org/what-we-do/awards/

https://iupac.org/awardees-of-the-2025-iupac-zhejiang-nhuinternational-award-for-advancements-in-green-chemistry/

IUPAC is committing to support the development and implementation of the SI Digital

Framework

The Joint Statement provides a platform for the signatory organizations to come together to indicate their support, in a way appropriate to their particular organization, to the development, implementation, and promotion of the SI Digital Framework as part of a wider digital transformation of the international scientific and quality infrastructure.

The joint statement is part of an ongoing initiative by the International Committee for Weights and Measures (CIPM) and its Forum on Metrology and Digitalization (FORUM-MD) to develop and establish a world-wide uniform and secure data exchange format based on the International System of Units (SI).

Currently, besides IUPAC ten organizations are signatories to JSI, including BIPM (representing CIPM), CIE, CODATA, IEC, ILAC, IMEKO, ISC, ISO, NCSLI, and OIML. These entities share a common focus on metrology while addressing standards development and engaging with global communities such as metrology institutes, universities, and industries. Their collective mission is to establish forward-looking and harmonized definitions within metrology.

The signatories have committed to supporting

the development and implementation of the SI Digital Framework as part of a broader digital transformation of international scientific and quality infrastructure. According to Leah McEwen, Chair of the Committee on Publications and Cheminformatics Data Standards (CPCDS), this effort aligns with IUPAC ‘s initiatives to support FAIR digital representation of chemical measurement and data.

https://iupac.org/digital-transformation/

https://www.bipm.org/en/liaison/digital-transformation

2025 Nominees for Election of IUPAC Officers, Executive and Science Boards

During the 53rd IUPAC General Assembly to be held in Kuala Lumpur in July 2025, the Council will be asked to elect a Vice President, a Treasurer, and members of the Executive Board and Science Board. IUPAC National Adhering Organizations have been invited to submit nominations.

On 1 January 2026, Mary Garson (Australia), Vice President and President-Elect of IUPAC, will become President. Ehud Keinan (Israel), current President, will become Past President and remain an officer and

Zoltan Mester, IUPAC Secretary General, signs the Joint Statement of Intent at the International Bureau of Weights and Measures (BIPM) in the presence of BIPM Director Martin Milton.

a member of the Executive Board for a period of two years, while Javier García-Martínez (Spain), current Past President, will retire. Secretary General Zoltan Mester (Canada) was elected by Council in August 2023 for a four-year term and will continue. Meanwhile Treasurer Wolfram Koch (Germany) was elected in July 2019 for a four-year term and will retire at the end of 2025, and has confirmed that he will not stand for a second term.

Vice-President

The Vice-President to be elected at the 53rd Council will be President-Elect starting in January 2026, and will become President on 1 January 2028. The nominations received for Vice President are as follows:

• Lidia Armelao (Italy)

• Derek Craston (UK)

• Christine Luscombe (Japan)

• Zhigang Shuai (China/Beijing) VP statement, bio sketch, and CV are compiled in one PDF available online.

Treasurer

The nominations received for Treasurer for the term 2026-2029 are as follows:

• Derek Craston (UK)

• Tom Kinzel (Germany)

Members of Executive Board

The Executive Board shall consist of the President, as Chair, the Vice-President, the Secretary-General,

IUPAC Wire

the Treasurer, the Past-President, together with six other members elected by the Council who shall be known as Elected Members. The period of service of Elected Members of the Executive Board shall be two years. Elected Members are eligible for reelection to the same position for a second two-year term. The periods of service shall be arranged in such a way as to ensure continuity. The nominations received for Elected Members of the Executive Board are as follows:

• Lidia Armelao (Italy)

• David Cole (USA)

• Hemda Garelick (UK)

• Richard Hartshorn (New Zealand)

• Miki Hasegawa (Japan)

• Evamarie Hey-Hawkins (Germany)

• Bonnie Lawlor (USA)

• Jean Pelin (France)

• Bipul Saha (India)

• Zhigang Shuai (China/Beijing)

• Supawan Tantayanon (Thailand)

• Bernard West (Canada)

• Malgorzata Witko (Poland) Candidates bio sketch and CV are compiled online.

Members of Science Board

The Science Board shall consist of the Vice-President, as Chair, the President and the Secretary-General ex officio, together with five members from the Division Presidents and Standing Committee Chairs, and elected by them, and up to five additional members, from the scientific community at large, elected by the Council. The period of service of the Elected Members shall be two years. These Elected Members are eligible for reelection to the same position for a second two-year term.

The nominations received for Elected Members of the Science Board are as follows:

• Abeer Al Bawab (Jordan)

• Pierre Braunstein (France)

• Evamarie Hey-Hawkins (Germany)

• Alejandra Palermo (UK)

• Elefteria Psillakis (Greece)

• Floris Rutjes (Netherlands)

• David Shaw (USA)

• Hiroaki Suga (Japan)

Candidates bio sketch and CV are compiled online.

An election was held during in May to elect five members from the Division Presidents and Standing Committee Chairs; the following candidates have been elected:

• Edwin C. Constable (Switzerland, Div

VIII Chemical Nomenclature and Structure Representation)

• Ari Koskinen (Finland, Div III Organic and Biomolecular)

• Igor Lacík (Slovakia, Div IV Polymer)

• Uday Maitra (India, CCE Chemistry Education)

• Fani Sakellariadou (Greece, Div VI Chemistry and the Environment)

https://iupac.org/2025-nominees-for-election-of-iupac-officersexecutive-and-science-boards/

Honoring Michael Buback for His 80th Birthday

by Igor Lacík, Gregory T. Russell

On 5 May 2025 at Göttingen University in Germany, a colloquium was held to honor the 80th birthday of Michael Buback, which occurred on 16 February 2025.

As well as having a truly eminent research career in physical and macromolecular chemistry, Michael has played prominent leadership roles in IUPAC, being Polymer Division President from 2012 to 2015 and chair of the highly productive Subcommittee on Modeling of Polymerization Kinetics and Processes from 1995 to 2007. These and other esteemed contributions led to him being one of the first people bestowed an Emeritus Fellowship of IUPAC Polymer Division in 2020.

These strands of Michael’s career were to the fore at the Festkolloquium for his 80th birthday. Philipp Vana did an excellent job of organizing the meeting, and as well gave a slick opening presentation in which he detailed how he came to be Michael’s successor at Göttingen University. Evidencing Michael’s tremendously high standing in the world of polymer chemistry, the next speaker was Kris Matyjaszewski, who with little doubt is the most renowned and acclaimed researcher in this broad area. He spoke about the latest applications of atom transfer radical polymerization, the revolutionary polymerization process he discovered in the 1990s. It was at this time that he and Michael became friends, in fact from being randomly paired roomies at a Gordon conference! Travelling all the way from New Zealand was the next speaker Greg Russell, who followed Michael as President of the IUPAC Polymer Division. He spoke on his “34 Years of Friendship, Collaboration and Termination Battles with Michael Buback”. Penultimate speaker was Hendrik Kattner, representing

a large group of PhD graduates from Michael’s group who have progressed on to having careers at BASF and other companies. Hendrik spoke on the importance of modeling in industrial processes, for which purposes the accurate kinetic data churned out by Michael’s group remains pivotal. The final speaker on the program was the current President of the IUPAC Polymer Division, Igor Lacík. He took everyone through some highlights of his quarter-century collaboration with Michael on the kinetics of aqueous-phase radical polymerization, which has resulted in them becoming the world leaders in this area.

This lineup of speakers, together with Michael and his wife Elisabeth, is shown in the accompanying photograph. By happy coincidence the day of the colloquium was also Elisabeth’s birthday, which added to the celebrations. She was not the only lay person amongst the many attendees – their daughter Franziska, longstanding family friends, and members of the local Rotary club were also in the audience. One of these, the family dentist, was unwittingly referred to as Greg and Igor independently narrated stories of Michael persisting with research discussions through troubling toothache!

But the bulk of the large audience consisted of

Speakers and guests of honor at the Festkolloquium zum 80. Geburtstag von Michael Buback: (left to right) Hendrik Kattner, Kris Matyjaszewski, Elisabeth Buback, Greg Russell, Michael Buback, Igor Lacík and Philipp Vana.

people from Michael’s scientific career, all there to acknowledge him: Göttingen academic colleagues, numerous representatives from German industry who have graduated from Michael’s group, professors of polymer chemistry from Germany (Sabine Beuermann, Markus Busch) and The Netherlands (Alex van Herk), current Vana-group members, and so on.

It should be mentioned that Michael’s scientific career is ongoing. He keeps himself amazingly young –see the photo! – by walking every weekday from home to the Institute and back again, a total distance of 12 km across demanding terrain. While at the Institute Michael writes papers, works on IUPAC projects and gives counsel to Igor on IUPAC matters and to Philipp on Göttingen matters. His contributions are far from over, so as we congratulate him on his 80th birthday we already look forward to the next major-milestone colloquium in Michael’s honor!

Igor Lacík, Polymer Institute of the Slovak Academy of Sciences, Dúbravská cesta 9, 845 41 Bratislava, Slovakia. https://orcid.org/0000-0001-6037-3747

Gregory T. Russell, School of Physical and Chemical Sciences, University of Canterbury, Christchurch 8140, New Zealand. https://orcid.org/00000002-6773-1428

IUPAC Wire

Society Fellow, Brynn Hibbert, awarded the RACI Ollé Prize

The Council of the Royal Society of New South Wales (Australia) congratulates Emeritus Professor D Brynn Hibbert AM FRSN on the award of the Archibald D Ollé Prize of the Royal Australian Chemical Institute (RACI): “For his work as editor and contributor on the Compendium of Terminology in Analytical Chemistry, 4th edition of the IUPAC Orange Book, published in 2023 by the Royal Society of Chemistry.”

Professor Hibbert, a former President of RSNSW, is a leading figure in the International Union of Pure and Applied Chemistry (IUPAC), having been President of the Analytical Chemistry Division, and now an Emeritus Fellow of IUPAC. He is presently Secretary of the Interdivisional Committee on Terminology, Nomenclature and Symbols, and so is one of those responsible for the language of chemistry, including naming elements, and all chemical compounds. The Orange Book contains the formal definitions of more than 4600 terms used in Analytical Chemistry, starting with “analytical chemistry.” The 600+ page book took 14 years to complete, with each definition going through rigorous rounds of peer and public review, surviving three deaths of chapter leaders, and then COVID. IUPAC has published a short history of its writing in Chemistry International in 2023.

Archibald Ollé was very active in the chemical and scientific life of NSW in the first 40 years of the Twentieth Century, and his wife, who outlived him, left a bequest to the RACI NSW Branch in his name with

Let’s celebrate IYQ

an annual prize. It is awarded to a member of the RACI who submits the “best treatise, writing or paper” on any subject relevant to the RACI’s interests. The RSNSW Archibald Ollé Prize is also awarded for the best paper submitted to the Society’s Journal and Proceedings. Professor Hibbert is a previous winner of the Ollé Prize for his “Quality Assurance for the Analytical Chemistry Laboratory” published by Oxford University Press, in 2007.

https://www.royalsoc.org.au/society-fellow-brynn-hibbert-receives-raciolle-prize-for-the-iupac-orange-book/Recturibus a volum as exercid emolore cus aut et qui ut verae non reperitatia dolupta spicien ihicto

The 2025 International Year of Quantum Science and Technology (IYQ) recognizes 100 years since the initial development of quantum mechanics <quantum2025.org>. Joining in the celebrations, IUPAC is preparing a special Issue of Pure and Applied Chemistry. The special issue of PAC will contain about 40 invited articles that recognize the impact of quantum science and technology in many branches of chemistry. Potential authors are invited to contact the editors if they are interested in contributing. The Guest Editors are Manuel Yáñez (manuel.yanez@uam.es), Autonomous University of Madrid, Spain and Russell J. Boyd (russell.boyd@dal.ca), Dalhousie University, Canada.

Project Place

Information about new, current, and complete IUPAC projects and related initiatives. See also www.iupac.org/projects

Medicinal Chemistry Projects Funding in Academia

by Ayelet Rothstein, Mukund Chorghade, Hassan Ibrahim, A. Ganesan, Paul W. Erhardt, Gerd Schnorrenberg, and Arie Gruzman*

Representatives of IUPAC Division VII (Chemistry and Human Health) examined the declining trend in financial support for medicinal chemistry projects in academia over the last decade (2010-2019). Based on data collected from over 100 researchers across 23 countries, the findings highlight a concerning 40 % decrease in grant approvals, particularly affecting projects focused on small organic molecules. Specific results from the survey were published in The Journal of Medicinal Chemistry in February 2025. This trend poses a threat to future drug development, the training of medicinal chemists, and overall pharmaceutical innovation. Immediate action from funding agencies, government bodies, and the pharmaceutical industry is imperative to reverse this decline and sustain medicinal chemistry as a vital and key scientific discipline.

Introduction

Historically, drug discovery has relied heavily on the pursuit of small organic molecules, a field driven by medicinal chemists working closely with pharmacologists. However, emerging therapeutic approaches, such as biologics, gene therapy, nanotechnology, and cell-based therapies, have gained prominence. These fields have attracted increased funding, shifting financial resources away from classical medicinal chemistry. While these new technologies present exciting opportunities, small molecule-based drugs continue to contribute significantly to the pharmaceutical market due to their proven effectiveness, cost-efficiency, and scalability. For instance, small molecues are often the best option for drugs geared towards neurological disorders, an area with increasing medical need, as they have the best chance to penetrate the BBB (blood brain barrier). Thus, the declining support for medicinal chemistry in academia raises concerns about maintaining a strong pipeline for future drug discovery within the immediate future. Moreover, from a longer perspective, decreasing support for medicinal chemistry research groups in academia will, in turn, also result in an eventual deficit in medicinal chemists who are well-trained for undertaking such activities within the industry.

Survey Methodology

IUPAC Division VII (Chemistry and Human Health)

conducted a global study, using an anonymous survey designed to assess trends in grant applications and approvals for medicinal chemistry projects. Participants, primarily principal investigators (PIs), were asked to report on grant submissions in two periods (2010–2014 and 2015–2019) and to account for their funding success rates. They were asked for their own self-determination about how much of a medicinal chemist they believe they are. The survey also gathered qualitative responses regarding researchers’ perceptions of funding availability, challenges in securing grants, and the broader impact of reduced financial support on their work and career trajectories.

The major findings can be summarized in three categories.

(1) Decline in Funding: Across the surveyed countries, financial support for medicinal chemistry projects decreased by 40%, with small-molecule-focused research experiencing the sharpest decline. This downward trend was observed across multiple continents, with Asia/Oceania experiencing the largest reduction (over 50%) and Europe seeing a 44% drop. Several participants shared their personal views by additionally providing written comments to the survey. Many respondents reported difficulties in obtaining funding, citing increased competition, shifting research priorities, and grant review panels lacking medicinal chemistry expertise. Government agencies often allocate funding toward high-reward areas like gene therapy and nanotechnology, leaving small-molecule research underfunded.

(2) Impact on Academia and Industry: The decline in funding has led to fewer research opportunities, which also affects the education and training of future medicinal chemists. In order to secure funding, many researchers have shifted focus to other fields, such as chemical biology or sustainability. This shift threatens to create a shortage of skilled medicinal chemists, potentially affecting pharmaceutical innovation and small molecule drug discovery. Furthermore, medicinal chemistry has a critical role in the development of new therapeutic modalities like antibody drug conlugates (ADCs) and PROTACs (proteolysis targeting chimera) where the contributions of small molecule medicinal chemistry have been indispensable.

(3) Pharmaceutical Industry Perspective: Large pharmaceutical companies increasingly rely on in-house R&D and external biotech partnerships for drug discovery. This shift reduces their financial support for academic medicinal chemistry, as companies prefer to invest in later-stage projects with clear commercial potential rather than fundamental research. With the decline of teaching/training expertise in academia, the

Medicinal chemistry in academia

Nanotechnology

RNA based therapy

Monoclonal antibodies

Cell Therapy

Based on J.E. GAisser (1825-1899) painting “The Luxurious Meal”

absence of professional medicinal chemists will eventually affect industry.

As mentioned above, the survey consisted of a freestyle section where researchers could share their point of view anonymously. Below are a few of these responses. Reponses were grammatically edited.

Japan: “Small molecule drug discovery in Japan is slowing down, making it extremely difficult to obtain external funding. If this trend continues, the foundation for small molecule drug discovery may be lost. We sincerely hope to avoid a situation where it will be difficult to support the medicinal chemistry field educationally.”

Canada: “MedChem funding is declining rapidly in Canada. Federal granting agencies— NSERC and CIHR—are neglecting MedChem based research. NSERC which funds basic science research immediately flags proposals related to MedChem. CIHR which supports Health Sciences related projects, prioritizes clinical research and disregards MedChem related research. Unfortunately, neither agency has any properly trained Medicinal Chemists in their grant panels! They tend to favor Organic Chemists. Although often expert synthetic chemists, organic chemists don‘t have the unique broader drug-related expertise that Medicinal Chemists have. Since the pandemic, funding for Medicinal Chemistry has plummeted in Canada. Since 2020, I‘ve applied for 18 major grants. I was successful in only 1 despite strong peer feedback! Sometimes I feel that administrators are at fault, flagging the applications as health science vs basic

science although MedChem itself is an interdisciplinary science and needs a separate stream of funding. We need funding agencies across the world to come together to address this.”

USA: ”My postdoctoral advisor once told me that the NIH avoids funding drug discovery and optimization, leaving it to Big Pharma due to the high costs ($1–$2 billion per drug). He advised me to focus on methodology development, framing it as a potential tool for medicinal chemistry. While this was somewhat true, I felt disingenuous and instead pitched my work as genuine lead optimization efforts. The result? Zero federal or external funding in 20 years—likely due to both my institution’s private status and the NIH’s preference for leaving drug discovery to industry, proving my mentor right.”

USA: “The realigning academic focus towards biologics and genetic medicine for drug discovery overlooks the consistent, unchanging dominance of small-molecules as new and effective drugs.”

Germany: “There is not sufficient funding for med chem. It is regarded as a task of industry. But industry can work only on a very limited number of targets. Academic drug discovery is essential, also for industry.”

Ireland: “Over the past twelve years I have drifted away from the med-chem space due to lack of funding. From 2001 to 2008 over 50% of my program was targeting new small molecule development in partnership with government and industrial funders. Since 2010, I continued for four-five more years with a limited

Project Place

medchem project (which was quite successful but had to be halted due to lack of both funding and industrial interest) and since 2016 I no longer apply for medchem funding due to the level of difficulty in obtaining it, which is very unfortunate!”

Israel: “I think the main issue with funding decisions is that many authorities do not really fully understand the difference between medicinal chemistry and other related disciplines, such as structural biology and nanotechnology, that can also contribute to drug development. Often, the final step of these “medicinal chemistry” proposals will state: “the proposed approach might be used for the development of novel drugs,” which is enough for the grant to be categorized under medicinal chemistry for evaluation. In addition, many decision-makers do not recognize medicinal chemistry as an academic discipline or as part of “basic science.” They want to protect “pure basic science,” leaving medicinal chemistry grants for “applicative research” funding agencies or Pharma industry related grants initiatives. However, these also do not support academic applications, considering them premature and still rooted in basic science.”

USA: “I started moving away from medicinal chemistry research around 2010 because of the lack of funding. However, I still teach in that area and students are still attracted to work in that realm. I supported drug discovery work in my lab through internal grants and IDCs until 2020 and I don‘t know if I will be able to restart work in that area in the foreseeable future, despite the demand and significance to workforce development.”

USA: “I have been buying chemicals and supplies from my salary from time to time. Most of my grants are university grants of small sums (<10K). It is tough to do research with such small funds. Every scientist who wishes to do research should be funded up to 50 K annually. If anyone needs more, they should apply for funding. This way even if the percentage of funded proposals does not change, it will greatly increase scientists‘ ability to conduct research. The 50 K sums could be taken out of NIH and NSF budgets in the US. Similar mechanisms could be applied in other countries.”

Australia: “I‘ve struggled to secure national funding for medicinal chemistry projects over the past five years, likely due to several challenges: a. Multidisciplinary proposals are often graded lower as assessors lack the combined expertise. b. Medicinal chemistry projects take longer, requiring in vitro and in vivo testing, ethics approval, and significant novelty for high-impact publication. c. They are high-risk and demand strong,

sustained collaboration. d. Industry rarely funds discovery research. e. Even when engaged, industry often underpays or exploits disclosed work. f. These projects are costly and seen as poor value for money. g. National grant schemes, like Australia’s, leave medicinal chemistry in a funding gap—too exploratory for medical research funding, yet too applied for basic research funding. h. Universities are generally poor at commercialization.

Success in securing medicinal chemistry grants often seems more about luck than merit. Despite these challenges, my institution remains supportive, and student interest in the field remains strong.”

Discussion and Implications

The obtained data highlights a critical gap in funding policies. While new therapeutic approaches are essential, small-molecule drug research and medicinal chemistry remain a fundamental discipline that should not be neglected. The funding reduction not only hinders academic research but also weakens the industry‘s ability to discover cost-effective drugs for diseases that may not be financially lucrative for large pharmaceutical companies.

Some of the concerns raised in the survey results include:

(1) Loss of Expertise: A declining number of trained medicinal chemists could lead to reduced drug innovation in industry.

(2) Limited Drug Development Options: Overreliance on biologics and other alternatives may reduce diversity in treatment strategies, limiting therapeutic options for certain diseases, such as CNS (central nervous system) diseases.

(3) Higher Drug Costs: Biological therapies tend to be more expensive than small-molecule drugs, potentially increasing healthcare costs for patients and healthcare systems, especially in less-developed countries.

Recommendations

To address the decline in funding, the authors propose several strategies:

1. Increased Government Support: Policymakers should recognize medicinal chemistry as an essential interdisciplinary research field and allocate more funding to sustain it and utilize researchers’ broad expertise and knowledge.

2. Balanced Funding Allocation: While investing in emerging drug development technologies is necessary, a balanced approach should ensure continued support for small-molecule research.

Project Place

3. Greater Industry-Academia Collaboration: Pharmaceutical companies should actively explore more partnerships with academic researchers to drive innovation in small-molecule drug development. The notion that: “we can do it ourselves” will soon become irrelevant, as universities may scale back medicinal chemistry programs due to a lack of PIs in the field.

4. Improved Grant Review Processes: Funding agencies should ensure that real medicinal chemistry panels are introduced to the grants calls and that they are populated by reviewers that have expertise in medicinal chemistry.

5. Interdisciplinary Training: Researchers in medicinal chemistry should expand their expertise in computational chemistry, structural biology, and AI-driven drug discovery to remain competitive in securing funding.

Conclusions

The study underscores an urgent need to address the funding crisis in medicinal chemistry. While scientific advancements in biologics and novel therapeutic modalities like cell- or gene-therapy are valuable, small-molecule-based research remains crucial for developing cost-effective and accessible drugs. The authors advocate for immediate intervention by funding agencies, government bodies, and industry leaders to reinstate financial support and safeguard the future of medicinal chemistry. Without corrective measures, the decline in funding could have long-term consequences on drug discovery, pharmaceutical innovation, and global healthcare outcomes especially within developed countries.

Acknowledgments

This study was supported by Division VII (Chemistry and Human Health) of IUPAC, https://iupac.org/project/2022-023-2-700. A.R. thanks Adama Ltd. for the Adama Scholarship and the Benin family for the Morris Benin Prize. A.G is a member of the ChemLife Center Dept. of Chemistry, Faculty of Exact Sciences, Bar Ilan University, Israel and wishes to extend his gratitude for the Center’s continued support. We thank AKG-images GmbH Teutonenstraße 22, D-14129 Berlin, Germany for the providing the image of J. E. Gaisser (18251899) painting: “The Luxurious Meal” for the graphical abstract.

The results were published by ACS Journal of Medicinal Chemistry: Rothstein A., Chorghade M., Ibrahim H., Ganesan A., Erhardt P., Schnorrenberg G., Gruzman A. Evaluation of the Recent Dynamics

for Funding Medicinal Chemistry Projects in Academia. Results of a Survey Conducted by IUPAC Division VII (Chemistry and Human Health), 2025, 68, 3, 2095–2104.

For more information and comment, contact task group chair Arie-Lev Gruzman <gruzmaa@biu.ac.il> | https://iupac.org/project/2022-023-2-700/

How Chemistry can make the difference

Human Wellness and Environmental Sustainability:

A video contest for Undergraduate Students is launched, to show the world how chemistry can make a difference in human wellness and environmental sustainability.

How Chemistry can Make the Difference. #howchemcan #videocompetition

A Video Contest for Undergraduate Students (deadline 01 March, 2026)

For more information and comments, contacy task group chair Cristina Nativi | https://iupac.org/project/2024-007-4-300/

Naming

Naked

and

MonolayerProtected Atomically Precise Metal Nanoclusters—Building Consensus on Cluster Nomenclature

The field of atomically precise clusters (APCs)— especially noble metal clusters—is witnessing rapid growth, with advancements in synthesis, structural characterisation, and novel applications. These clusters,

5 winning videos will be selected

Project Place

made up of a specific number of atoms and ligands, behave as well-defined molecular entities with complex structures and distinct properties. However, this rapid expansion has also brought challenges in maintaining clarity and consistency in naming and classification.

This IUPAC project aims to establish an internationally accepted framework for the systematic classification and nomenclature of APCs, covering both naked and monolayer-protected clusters. By unifying terminology, the project will foster better communication and collaboration across the global research community.

An international task group comprising experts from 11 countries is leading the effort, engaging the broader scientific community through dedicated online and offline discussions, some of which may happen on the sidelines of leading conferences such as the Gordon Research Conference (GRC) on Atomically Precise Nanochemistry, the International Symposium on Monolayer Protected Clusters (ISMPC), and others. Outcomes, incorporating inputs of prominent researchers, will be shared via Pure and Applied Chemistry, as well as technical reports, books, and online platforms including a dedicated Wikipedia page.

Through this initiative, IUPAC continues its leadership in defining standards for emerging fields of chemistry, supporting research, education, and international collaboration.

For more information and comment, contact task group chair Thalappil Pradeep < pradeep@iitm.ac.in > | https://iupac.org/ project/2024-014-2-500/

Guiding Principles for the Responsible Practice of Chemistry

Eight Principles for the Responsible Practice of Chemistry to guide professional chemists, teachers and students, and chemistry organizations will soon be revealed and described. The Guiding Principles provide a framework for transparent, responsible and ethical behaviour in all aspects of chemistry. The Principles are intended to contribute to the worldwide understanding, practice, and application of the chemical sciences for the betterment of humankind and the environment.

The Guiding Principles will be formally launched during the IUPAC Congress in Kuala Lumpur. Website, posters and other materials will be available, and a symposium is organized for Thursday, 17 July. Please join the Guiding Principles project team at the IUPAC GA and Congress!

For more information and comment, contact task group chair Mark Cesa | https://iupac.org/project/2022-034-3-060/.

Conference Call

The Franklin-Lavoisier Prize Presented in Paris: a History of Chemistry Celebration

by Neil Gussman and Brigitte Van Tiggelen

At noon on a lovely day in early November, more than a thousand historians, scientists, students and chemistry professionals filled the Lavoisier auditorium in La Maison de la Chimie to see philosopher and historian Bernadette Bensaude-Vincent receive this year’s Franklin-Lavoisier Prize for her contributions to the history and philosophy of chemistry. At the same ceremony, chemist and author Armand Lattes received the first-ever honorary Franklin-Lavoisier Prize for his contributions to the history of chemistry and chemistry more generally. His award was accepted by Armand’s son Julien Lattes. All of the seats in the large theater space were taken plus many of the red velvet jump seats that fold out from both ends of each row of seats.

David Cole, President and CEO of the Science History Institute, and Phillippe Goebel, President of the Fondation de la Maison de la Chimie, presented specially cast silver medals to Bernadette BensaudeVincent and to Julien Lattes in a brief ceremony. The year 2024 marks the ninth presentation of the prize awarded on alternate years in America and France since 2008. The award recognizes outstanding work in the history and heritage of chemical sciences and technology, as well as efforts in the preservation or promotion of the entwined scientific culture of France and the United States. The next presentation will be at the Science History Institute in Philadelphia in November 2026. (more on the prize in a sidebar)

[The entire ceremony was in French. Quotations

David Cole, President and CEO of the Science History Institute presented her medal to Bernadette Bensaude-Vincent

from the speakers are translated from their remarks.]

In his remarks, Cole said, “The Science History Institute’s mission is precisely to collect, preserve, interpret, and share the history of science and technology. Such a mission cannot of course be accomplished in isolation, and requires the collaboration of actors from the academic and industrial worlds of chemistry in the broad sense, sister organizations such as the Fondation de la Maison de la Chimie, as well as the active engagement of historians of science from around the world.”

“Bernadette Bensaude-Vincent, winner of the 2024 Franklin-Lavoisier Prize, is an excellent example: at the

Science History Institute, we benefited from her participation when, in 1997, she conducted an oral history of 38 hours with Stephanie Kwolek, the inventor of Kevlar.”*

In speaking of Armand Lattes, Cole said, “One of the aspects that is particularly important to us in our mission to preserve and share the history of chemistry is to better understand how science and society are articulated throughout human history. Pollution or wars are among the subjects that it is our duty to address, going beyond simplistic and polarizing discourses. And especially by examining how chemists of all times have responded to the challenges of their time. Armand Lattes, honorary laureate of the Franklin-Lavoisier Prize, is one of the “chemical deminers” if I may use this expression, an action that transcends borders and geopolitics, and gives chemical expertise a moral and peace-making role.”

Following the medal presentation, BensaudeVincent said, “I would first like to thank the Science History Institute and the Fondation Maison de la Chimie for this magnificent prize that rewards my modest contribution to the history of science.”

“This pleases me all the more because I have chosen a path that is scorned by my fellow philosophers. For a long time, philosophers have considered chemistry to be a negligible science, too close to everyday life, to cooking. More worthy of interest in their eyes are the grandiose theoretical questions posed by physics, or the life sciences: realism, determinism, finalism, chance and necessity ... I preferred chemistry precisely because it is an impure science. Impure not in the moral sense of corruption, but in the chemical sense of mixture: a mixture of cognitive and technical issues. Here is a field where the search for the laws governing the diversity of chemical molecules and their reactions coexist with the search for new molecules useful for pharmacy, industry, agriculture. Here is a science that deals with practical issues: air quality, water contamination, hygiene, health, etc.”

The award ceremony was held in the middle of a day-long conference on water and the environment. In her talk, Bensaude-Vincent described how Antoine Lavoisier studied water throughout his career, first assessing its composition and purity during his mineralogical travels and analysis, and later on through careful experiment showed that water is not an element (as believed by the ancients) but is composed of hydrogen and oxygen.

She closed her talk saying, “Chemists of the 21st century have to study again and again the properties and behaviors of water in order to contribute to maintaining a habitable earth despite climate disruption,

The Last Hero of the Cold War

When the Soviet Union collapsed in 1991, the world faced a plethora of problems. In retrospect, the world did not handle the demise very well. Russia and the other former Soviet states were broke and in collapse and armed with uncountable Weapons of Mass Destruction.

In the 1940s and 50s, before the Soviets had nuclear weapons, their counter weapon to American and European nukes was nerve gas and other chemical weapons. The Soviets manufactured thousands and thousands of tons of chemical weapons and stored them for the Doomsday attack.

In 1992 these un-dropped bombs and un-fired shells were rusting and leaking in storage across the former empire that had no money. If these chemicals leaked into waterways and into the air, illness and death would spread through and out of the former Soviet Union.

The answer to the problem was a massive, long-term decontamination program. One of the chemists who volunteered for this dangerous work was Professor Armand Lattes of the University Paul Sabatier in Toulouse. Every September from 1992 until in 2006, Lattes flew to secret sites in the former Soviet Union and worked with international volunteers to neutralize this terrible stockpile of weapons. Lattes continued his unheralded work for several years until his retirement.

When we hear of the latest terrorist attack on the news, we know that dozens more attacks were foiled by law enforcement working secretly to disrupt the terrorists. Armand and the men and women he worked with saved countless lives and the world itself from the disaster of chemical weapons leaking into the air and water or being stolen and used by terrorists.

Armand did his part to keep the weapons of the Cold War from killing after the demise of the Soviet Union.

Excerpts from Neil Gussman’s blog- https://armynow.blogspot. com/2017/11/cold-war-hero-who-served-after-1991.html

and this in collaboration with scientists or engineers from other disciplines. Indeed, a distinctive mark of the chemical community—which I will emphasize to conclude—is that chemists most often work across borders, in varied professional fields, ranging from medicine and pharmacy, biotechnologies and nanotechnologies, to agriculture and heavy or fine industry, to nuclear technologies, to atmospheric and climate sciences. In most of the fields in which they practice their profession, chemists maintain a strong disciplinary identity forged

Conference Call

by the language specific to chemistry, teaching manuals, and laboratory practices. In my eyes, the identity of chemistry is built on the model of a diaspora: a dispersed population, immersed in foreign countries that nevertheless maintains a strong cultural identity. And it is in the various fields where chemists operate that chemistry is enriched and constantly renewed.”

Reading from Armand Lattes’ remarks, Phillipe Goebel described Lattes’ career, whose modest origins initially destined him to be a fitter or a carpenter, from the time teachers advised and encouraged him to finish high school and pursue higher education to his flourishing academic career in chemistry. Lattes showed a consistent passion for teaching which culminated in publishing several highly successful textbooks but also demonstrated a taste for going beyond his mission as a university teacher by reaching out to the lay public. No surprise thus that he was called as expert in many instances both national and international including the NATO Scientific Committee where he served as chemistry expert in the late 1990’s.

Lattes has been and still is a vibrant advocate for chemistry, a science he profoundly loves and a science he believes is essential to society as a whole. The short piece “What if all Chemists quit?”, originally written in 2003 in French comes as a plea for the crucial role of chemistry in all corners of society, in the form of a nightmarish tale of science fiction in which that crucial science is no longer maintained and cultivated by its practitioners (the original piece can be found online https://culturesciences.chimie.ens.fr/ thematiques/chimie-et-societe/environnement/et-siles-chimistes-arretaient-tout). It was soon translated and disseminated widely, presently easily accessible online on LinkedIn https://www.linkedin.com/pulse/ what-all-chemists-quit-armand-lattes/ ; or see A. Lattes, Chem. Int., vol. 25, no. 6, 2003, pp. 16-17. https://doi. org/10.1515/ci.2003.25.6.16

Through his career thus, and even long after, Lattes has crossed borders and connected networks, bridging academic and industrial research, managing projects across disciplines and laboratories, and initiating bilateral research projects between France and the US in the field of enhanced oil recovery for instance.

When it comes more specifically to the history of the discipline, he has particularly focused on a famous chemist, Nobel prize laureate in 1912, who worked at the Université de Toulouse several decades before him: Paul Sabatier (1854-1941). Lattes authored a biography of Sabatier published in 2019 and also unearthed a contribution of the young Sabatier in which he interpreted the “classification of the simple bodies” (that is

Recognition citations of the 2024 Franklin-Lavoisier prize

Bernadette Bensaude-Vincent is Professor Emeritus at the University of Paris PanthéonSorbonne. Her work focuses on the science of matter and materials in particular, and on the understanding of chemistry more broadly and its intellectual, cultural, and societal connections. Her diverse themes have inspired innovative research, both outside of France and beyond the history and philosophy of chemistry field.

Bensaude-Vincent is the author of more than 100 articles and books, in French and in English among others: Chemistry. The impure Science, 2008 (with Jonathan Simon) and Carbon: A biography, 2024, (with Sacha Loeve).

Armand Lattes is Professor Emeritus at Paul Sabatier University in the Academy of Toulouse in France. He has made profound contributions to the history of chemistry in general and to the great chemists who worked in Toulouse and Southern France in particular. He has been committed to supporting research in chemical history and heritage throughout his entire career.

(more to be found on the dedicated webpages of the Science History Foundation https:// www.sciencehistory.org/about/awards-program/ franklin-lavoisier-prize/ and the Fondation de la Maison de la Chimie which also features the recording of the award ceremony https://actions. maisondelachimie.com/les-prix-de-la-fondation/ prix-franklin-lavoisier/les-laureats-de-lannee/ )

the classification of the elements) based on his experience of the use of this classification in education. In all these capacities, concluded Goebel, the Jury of the Franklin-Lavoisier wanted to recognize Lattes’ merits and impact by awarding an honorary Franklin-Lavoisier Prize. In that sense, Lattes is a great example of the diaspora spirit of chemistry which Bensaude-Vincent identified as typical of that science.

About the Franklin-Lavoisier Prize

The Franklin-Lavoisier Prize was established in 2007 jointly by the Fondation de la Maison de la Chimie (Paris, France) and the Science History Institute (Philadelphia, USA) to recognize outstanding achievements and meritorious efforts to promote and advance the history and the heritage of chemical sciences and

Conference Call

technology. It was named for Antoine-Laurent Lavoisier and Benjamin Franklin, two of the 18th century’s greatest minds, emphasizing the international and communal character of the scientific endeavor.

The international Prize is awarded every other year, alternately in the United States and France, to individuals and organizations in the world who have made significant contributions, as well as original and groundbreaking work that open new areas and perspectives in the preservation, interpretation, and sharing of the chemical past and patrimony.

Accompanied by a medal, the prize includes a monetary prize of €15 000, half of it is to be devoted to a public facing project in France or the United States. Because of its standing and its international character, it’s one of the most prestigious awards in the field of the history of chemistry.

Collaborative

development and sustainability of digital chemical data standards

DigSustain2: A community workshop, April 2025, Germany

Organizers: Leah McEwen* (Chair), Ian Bruno, Ilia Dorokhov, Richard Hartshorn, Simon Hodson, Carsten Kettner, Sarah Kilz, Oliver Koepler, Steffen Neuman, Wendy Patterson, John Rumble, Dana Vanderwall

The growing need to share, exchange, and harmonize chemical data has brought a new awareness to chemical data standards. Next generation laboratory information systems (LIMS), development of new chemical repositories, growth in the use of chemical data in related sciences, and explosion in Artificial Intelligence and Machine Learning (AI/ML) provide substantial incentives to think seriously about how to promote and sustain chemical data standards that are applicable in this digital information environment.

Building on the successful WorldFAIR Chemistry workshop on sustainability of digital data standards [1], IUPAC collaborated with several other chemistry organizations including the Center for the Transformation of Chemistry (CTC), the Beilstein-Institut, NFDI4Chem, and the InChI Trust to organize a follow up workshop focusing on community collaboration towards long-term development of chemical data standards. The workshop was held from April 3-5, 2025, in Delitzsch, Germany, near the future site of one of the CTC research campuses. A wide range of representatives from the data standards community discussed the value of digital

standards in the chemical sciences and the urgent need to develop, implement and sustain these for FAIR data reporting and exchange through collaborative effort. The primary outcome of the workshop was a recommendation to explore forming a coalition of chemical data standards developers and users, aimed at fostering a sustained community effort to support these standards over the coming decades.

Existing chemical data standards cover four main components of chemical property data: chemical substances, reaction data, property measurements, and conditions of measurement. Additional standards are needed to cover the growth of chemical space and the expanding breadth of chemical data measurements. Specific needs include facilitating data management at larger scales, integrating multiple data types, supporting multi-disciplinary use of chemical data, and advancing analysis across the full spectrum of variables. The digitization of chemistry mandates the implication of data standards to allow for data sharing, the use of methods that use large data sets and ways to disseminate this data, said Peter H. Seeberger, the founding director of the CTC during his opening lecture.

A variety of organizations have been involved in developing and sustaining successful chemical data standards, including scientific unions, formal standards organizations, and member-based consortia, among others. These efforts are centered in different academic and commercial sectors with different governance and business models and diverse processes for standards development that strongly influence sustainability goals. The long-term uncertainty of strategy, policy, and associated funding is a concern for chemical data standards users and prime motivation for developing more robust models for sustainability.

To scale the effort and resources required to develop and implement community standards more broadly, including supporting discovery, interoperability and adoption, it becomes critical for the chemical data community to work together and avoid isolated and siloed efforts. This need defined the overall themes of the workshop

• to understand collective gaps in standards resources; and

• to identify strategies for community collaboration to develop, expand, and sustain these.

Through several panel discussions, experts in standards development across a range of contexts and disciplines reviewed their experiences in key factors for long-term success, pre-competitive community collaboration, and interoperability with neighboring

disciplines. Organizations and disciplines represented in the panels included the InChI Trust, the Protein Data Bank (PDB Japan), the International Union of Crystallography (IUCr), the Beilstein-Institut, Nationale Forschungsdateninfrastruktur e. V. (NFDI Germany), the European Life-sciences Infrastructure for Biological Information (ELIXIR), the German Institute for Standardization (DIN/ISO Germany), the Pistoia Alliance, the International Science Council Committee on Data (ISC CODATA), and collaborators from geochemistry, advanced materials and structural biology.

Collectively, these organizations have over two hundred and fifty years of combined experience in developing and sustaining data standards in the chemical sciences and utilizing a variety of approaches to the governance, operation and resourcing of such work. A common theme across these projects and collaboration models was the importance of community engagement throughout development and adoption to ensure success, and the impact of active collaboration on the ability to evolve both the standards and their support mechanisms to meet the demand over time. With respect to the acceptance by the broader community, a bottom-up approach is more successful as the community members not only bring in-depth expertise but also the needs and sensitivities of their own target group. Established standards initiatives are generated by user communities so the resulting standards are designed from the beginning to meet real community needs. Well-established collaborative alliances are

multi-faceted efforts, with experts from diverse disciplines, different countries and regions, and different expertise (domain knowledge, information technology, application builders, commercial researchers, data semantics experts, and others). Broad efforts such as FAIR and increased data sharing have impacted the initial scope for many initiatives and are important for preventing problems with approaches that are too narrow (silos) and other emerging challenges.

A growing need is the capacity to support chemical data standards across increased interdisciplinary use cases and to apply multiple chemical data standards across a diversity of user scenarios. These concerns raise questions around synergies in scope, functionality, and interoperability. While scientific requirements for chemical data may be similar across user groups, technical applications and workflow implementations for managing and reusing data vary considerably, and descriptions of metadata must be especially clear and robust in order to meet (often unknown) future needs of other disciplines. Chemical data standards organizations need to work collaboratively to ensure compatibility, avoid duplicating efforts, and maximize applicability of standards for emerging areas, for example, to validate the completeness of chemical data description and reuse in AI/ML. Instrument vendors, laboratory scientists, young scientists, and software developers also need to be involved in extending the standards to meet new requirements.

To map the needs and relationships among chemical

Conference Call

data standards across the community and articulate persistent gaps, an interactive workshop exercise engaged the broad experience and knowledge of participants to characterize use cases for applying data standards. Randomly assigned small groups considered different types of data-driven problems, the data systems and stakeholders involved, scenarios where individual or multiple standards could be applied, and if these standards exist or could be developed or adapted. The groups also reviewed attributes of existing chemical data standards known to them pertaining to coverage of chemical substances and properties, functionality and benefits, as well as how widely these standards are adopted, products and services supporting implementation, and any dependencies on other standards.

Common issues surfaced around the need for better strategies and tools to improve efficiency and accuracy of capturing and compiling of chemical data in automated or semi-automated workflows, describing and tracking provenance of chemical data and associated measurements and analyses, and assessing the consistency and completeness of metadata to enable evaluation of data quality and reuse. There was considerable discussion of the need for and value of data validation suites, particularly in the context of the detection and elimination of fake data. Further work on mapping and harmonizing across standards and use cases and breaking down the high learning curve for data reporting would be ideal activities to advance collectively through a coalition. Understanding the opportunities and limitations of applying AI to these processes at scale and facilitating broader interoperability and validation was identified as a high priority for future workshops.

There is broad agreement that standards are critical for FAIR scientific data exchange and that more are needed to facilitate broader interoperability across diverse use cases and multiple disciplines. Increasing the visibility and accessibility of standards manifested in specifications so that developers can more readily incorporate these into research tools and workflows will be key for enabling broader data reuse. To realize this vision, clearer understanding is needed on what we mean as a community when we refer to standards and how we translate these into practice—how common data practices can be organized and interlinked to evolve into standard motifs and tools, how we develop domain level description to enrich general schema and augment discovery, how we describe and assess criteria for implementation and harmonization. Once adopted, how do we sustain chemical data standards to be reliable and extensible over time? Sustainability will depend on collective support of discovery and

adoption, communication and outreach, and ongoing resource provision.

A special session on the third day of the workshop explored the potential for a coalition of data standards organizations and experts in chemical sciences that would help facilitate broader networking, collaboration on practical services and resources, and coordination of long-term sustainability efforts. Representatives from international scientific unions, chemistry-related databases, community standards organizations, chemistry publishers, research institutes, digital chemistry centers, and infrastructure initiatives discussed potential benefits for a coalition to support their user communities and facilitate long-term growth. Some benefits identified include:

• Community of expertise to help define and meet chemistry-community-wide priorities and use cases, and enable individual organizational requirements

• Central location for collective activities and instructive materials for outreach, training, educational institutions, practicing scientists, and equipment manufacturers

• Adoption of standards in publishing chemistry to enhance implementation of the FAIR principles in the next generation of chemical research results

• Collaboration among related disciplines to identify key points where chemistry supports molecular sciences

• Opportunities for international participation in chemistry data standards development, adoption, and use

• Supportive environment for all members with collective remediation when previous support falters.

The group agreed to explore a working coalition of existing chemical data organizations to address these opportunities and to undertake short (1-2 years) and mid-range (2+ years) projects to develop FAIR solutions and help ensure the sustainability of standards. An initial coalition planning committee has been identified to draft a preliminary membership structure with a goal to convene a meeting of initial participants in A Coalition for Sustainable Digital Chemical Standards in September 2025. Several topical sessions on digital standards in the chemical sciences have also been submitted to International Data Week in Brisbane, October 2025, to continue broad engagement on the need to develop, apply and sustain community standards. Watch this space for next steps and future workshop planning!

Conference Call

References

1. Mustafa, F; Vanderwall, D.; McEwen, L.; et al. “Digital Standards: A Path to Sustainable and Interoperable Chemical Data Exchange” Chemistry International, vol. 46, no. 3, 2024, pp. 43-47. https://doi.org/10.1515/ ci-2024-0325

https://transforming-chemistry.org/en/digital-data-standardssustainability/ https://iupac.org/event/digital-data-standards-sustainability-in-thechemical-sciences/

Leah McEwen https://iupac.org/member/leah-r-mcewen, Chair of IUPAC Committee on Publications and Cheminformatics Data Standards

Chemistry National Meeting in Taichung

The 2025 Chemistry National Meeting (CNM), organized by the Chemical Society Located in Taipei (CSLT), successfully concluded on 9 March 2025, at Providence University. This annual event brought together leading researchers, industry experts and leaders, and passionate students to share their latest findings. This year’s theme, “Smart Chemistry: Interdisciplinary Sustainability through Environmental, Social, and Governance (ESG),” reflected the growing importance of integrating sustainability principles into chemistry, while embracing the transformative power of smart technologies and interdisciplinary collaboration.

The CNM Chair Lucia S. Lin, President of Providence University, CNM Honorary Chair Yu-Ju Chen, President of the Chemical Society Located in Taipei (CSLT), and CNM Secretary General Ming-Tsz Chen, Chair of the Department of Applied Chemistry of Providence University, recognized that the focus on ESG principles opens exciting avenues for chemists to contribute to a more sustainable and equitable future. Through the sharing of innovative research, ideas, and practices, they programmed the CNM to inspire new approaches to address the global challenges that lie ahead and harness the power of chemistry to create solutions for a better, smarter, and more sustainable world.

A highlight of the meeting was the 2025 IUPAC Poster Prize. Among 773 poster presentations across 7 major chemistry-related disciplines, the poster award committee proudly recognized three outstanding contributions in green/sustainable chemistry for the 2025 IUPAC Poster Prize:

• Chi Kang, National Yang Ming Chiao Tung University, Hsinchu, Taiwan

Spatial Confinement Effect of SnO2 Nanospheres Catalysts

Enables Ampere-Level CO2

Reduction to Formic Acid and Artificial Photosynthesis system

• Song-Chi Chen, National Taiwan University, Taipei, Taiwan

Single-Atom Catalysts with Sulfur Sites for Electrosynthesis of Hydrogen Peroxide

• Ke-Yun Tong, Providence University, Taichung, Taiwan

Conductive Polymer Polythiophene Cathode Combined with Novel Multifunctional Ion Gel Electrolyte for Developing Flexible and Fast Self-Charging Electrochemical Energy Storage Devices

IUPAC joined the organizers in congratulating the prize winners.

https://2025cnm.conf.tw

Pesticides Meeting in India

by Sreenivasa Rao Amaraneni

The conference, “Pesticides and Related Emerging Organic Pollutants Impact on the Environment and Human Health and Its Remediation Strategies,” was endorsed by IUPAC and held in East Point College of Engineering and Technology (EPCET), Bangalore, India during 7 -9 November 2024. The conference was organized by Dr. Sreenivasa Rao Amaraneni, conference convener and Professor in the Department of Chemistry at EPCET. Selected papers will be published in a special issue of the Pure and Applied Chemistry

The conference was partially funded by various organizations, including the Department of Science and Technology (DST) SERB, Indian National Science Academy (INSA), Karnataka State Council of Science and Technology (KSCST), Visvesvaraya Technological University (VTU), and Council of Scientific and Industrial Research (CSIR). Additionally, the conference was partially sponsored by Quicklrn Company, India, and ACC Adani Cement Company.

Pesticides and related organic pollutants, such

Chi Kang

Song-Chi Chen

Ke-Yun Tong

as pharmaceuticals, personal care products (PPCP), metals, and microplastics are contaminating the environment due to human activities. India is one of the largest manufacturers of pesticides, and the consumption of pesticides is increasing every year. The indiscriminate use of pesticides not only kills targeted pests but also has effects on non-target organisms and the environment, including water, soil, air, plants, and contamination of food items like vegetables, fruits, fish, and prawns.

Recent research studies suggest that the presence of pesticides in the environment and in human milk, tissues, and blood indicates the magnitude of pesticides’ impact on the environment and human health. Some pesticide exposure has been linked to diseases such as cancer, neurotoxicity, and neurodegenerative disorders.

The conference aimed to bring together experts from India and other countries—including Germany, the United Kingdom, Croatia, and Finland—to discuss future trends and action in controlling pesticides.

The conference focused on the challenges of pesticide pollution and its impact on the environment and human health. It discussed how pesticides

interact with non-target organisms, including humans, and the associated link to diseases. The conference addressed biotechnological and nanotechnological methods, biopesticides, and environmental biotechnology methods to avoid the impact of pesticides on the environment and find remedies for pesticide pollution. Over one hundred participants attended, including plenary speakers, scientists, researchers, university and college teachers, and students from India and four countries. The second day was dedicated to women scientists, aiming for full and equal access to and participation in science for women and girls. The scientific program covered all domains in analytical and environmental chemistry and chemistry and its allied subjects, including materials, synthesis and catalysis, chemical and biochemical engineering, and environment.

The conference opened on 7 November 2024, with Karnataka State Anthem and a welcoming address by Mrityunjaya V. Latte, Principal of East Point College of Engineering and Technology. The chief patrons B.L. Ramadevi Venkatpathi, Chairperson, Shri. S. V.

Conference Call

Pramod Gowda, and Shri. S. V. Rajiv Gowda, The convener, Sreenivasa Rao Amaraneni, was briefed about the conference, and the Chief Guest, Aravindakumar, Vice Chancellor of Mahatma Gandhi University, Kerala, and Guest of Honor Jan T Andersson, University of Munster, Germany, were also present. The conference concluded with the National Anthem of India and a group photo.

On the first day of the conference, three plenary talks, three invited talks, and seven oral presentations were presented. The first plenary lecture focused on “Navigating Emerging Contaminants: Key Monitoring, Health Effects, and Future Challenges” by C.T. Aravind Kumar, Vice Chancellor of Mahatma Gandhi University, India. He discussed the key aspects of monitoring emerging contaminants in natural ecosystems and molecular insights of pollutant-protein interactions to understand their health impact. Jan T Anderson from the University of Munster, Germany, discussed the sources of U.S. EPA’s 16 priority pollutants and the occurrence and distribution of PAHs in food and atmosphere. He also discussed the toxicity of PAHs and analytical methods for analyzing them in different environmental matrices.

The third plenary lecture discussed pesticide usage and its impact on human health and the environment. Wayne Carter from the Royal Derby Hospital, Nottingham University, UK, discussed the human health concerns from exposure to pesticides and the environmental impact of pesticides. He presented methods for identifying novel OP targets in different tissues and summarized recommendations for pesticide usage.

Invitee talks followed the inaugural session and the main keynote lecture. Praveen Kumar Vemula from

the Institute for Stem Cell Biology and Regenerative Medicine (inStem) presented his research work on “Kisan Kavach: An anti-pesticide protective suit for farmers to prevent pesticide-induced toxicity and lethality.” Dhananjayan V, Senior Scientist at the ICMRRegional Occupational Health Centre (Southern), NIOH, Bangalore, India, presented results of his research on the occupational health risk of farmers exposed to pesticides in agricultural activities. He highlighted the importance of safety measures to avoid pesticide contamination in the environment and human health effects.

The first day of the conference featured several presentations on various topics related to environmental health and bioremediation. The third speaker, Ramachandran from T.V. Energy & Wetlands Research Group, Centre for Ecological Sciences, Indian Institute of Sciences, Bangalore, India, discussed the success story of Jakkur Lake in Bangalore, which integrated conventional treatment systems with constructed wetlands and algal ponds to remove nutrients and chemical ions cost-effectively.

The second oral presentation by Lukas Paul Loose from Kiel University, Germany, focused on assessing agricultural pesticide contamination in lentic small water bodies and soils. He discussed the risks of pesticide chemical contamination and the dynamics of pesticide contamination in water bodies and surrounding soils. Ganesan K from Tamil Nadu Agricultural University, Coimbatore, India, presented the evaluation of face masks to minimize occupational inhalation exposure of pesticides to farm workers through gas chromatography.

Emmanuel Simon from the University of Calicut,

Conference Call

India, discussed the potential of biofilm-mediated bioremediation in wastewater treatment and the insights of Enterobacter cloacae strain honeykp, which showed high efficiency in organic matter degradation. His robust adhesion properties, confirmed by crystal violet assay and microscopy, underlined its ability to form a stable and effective microbial community for persistent bioremediation in contaminated environments.

Samikshya Mishra from Sambalpur University, Odisha, India, discussed the impact of pesticide residues on human health in Western Odisha, India. Ruchika Sah of the Wildlife Institute of India, Dehradun, India, discussed the spatiotemporal dynamics and ecological risk of estrogenic endocrine disrupting chemicals in gangetic dolphin habitats. G. K. Tingre from the Department of Zoology in Modern College of Arts, Science and Commerce, Pune, India, discussed the larvicidal activity of leaf extracts of Oroxylum indicum against Musca domestica.

Rahul K. Yaji from NMAM Institute of Technology (NMAMIT) presented the adsorption removal of pyrene by magnetic activated carbon nanocomposite, demonstrating its greater than 90% removal capacity at pH 4, 55⁰C, 140 minute agitation. He also discussed the synthesis of magnetisation of activated carbon and its characterization method using SEM and FTIR.

On day 2 of the conference, women scientists were present in various sessions, including a plenary talk, three invited talks, eleven oral presentations, and seven posters. The conference aimed to achieve equal access to science for women and girls, maintaining a gender equality ratio of 50:50 between women and men.

The first plenary lecture by Zrinka Kovarik from the University of Zagreb discussed the potential toxic effects

of herbicides and their potential use in developing novel pesticides. Khulud Alsouleman from Technische Universität Berlin presented research results on the effect of ZSM-5 catalyst on product distribution of pyrolysis of PLA and PBAT/PLA blend. Garima Kaushik from Central University of Rajasthan presented her research work on the analysis and remediation of additive chemicals in food-grade plastics.

Manasi Mishra from MIT World Peace University presented on green synthesized nano-silver as a potent antifungal agent against agriculturally significant phytopathogenic fungi. P.V. Vidya and Alex George from Jubilee Mission Medical College & Research Institute discussed the genotoxic effects and alterations in antioxidant systems induced by chlordecone in the Cichlid Fish, Etroplus maculatus. Shyamala R. and Gomathi Devi L. from NMKRV college for women presented the photocatalytic activity of C, N, and S doped SnO2 and its effective band gap engineering to increase quantum efficiency.

The Pesticide Action Network (PAN) India presented several oral presentations on various topics, including the use of highly hazardous pesticides in India, the development of ultrasensitive electrochemical detection of nitrite using modified carbon paste electrode with novel polyaniline encapsulated CuO doped magnetite, the thermodynamic investigations and reaction kinetics of Ir(III)-catalyzed α-amino acid oxidation by HCF(III) in aqueous alkaline medium, the toxicity and environmental impact of paraphenylenediamine (PPD) in Oreochromis mossambicus, and hepatic biotransformation in climbing perch under environmental exposure to polystyrene microplastics.

Rajamya from NMKRV college for women discussed the development of Ni-BDC incorporated

Conference Call

polysulfone membranes for efficient removal of pharmaceutical pollutants from water. Supradha N from Oxford College of Engineering discussed the concentration of heavy metals in soil samples and vegetables collected in Bangalore. Nandana V.A from NMKRV college for women developed Fe3O4@pineapple peel extract (PPE) – Cu nanocomposite for waste water treatment. Syeda Rabia Asma discussed the adsorption of pharmaceutically active compounds from aqueous environments using ZnO coated invasive weed Biochar. Bhargavi Koneru discussed porous and mesoporous materials for applications in desalination and removal of pesticides, pharmaceuticals, and personal care products from water.

Supriya Radha presented on green synthesis, characterization, and bioactivity analysis of eco-friendly silver nanoparticles using Schefflera actinophylla flowers. A. Rose of the Multidisciplinary Research & Innovation Center discussed nanotechnology in pesticide degradation and machine learning analysis for differential gene expression induced by pesticides for Parkinson’s disease progression.

The conference focused on evaluating the environmental and health impacts of chlorpyrifos, focusing on bioremediation strategies.

Poster presentations were also presented, with Chandrakala V, Prosthodontics at KLE Dental Sciences & Hospital, analyzing arsenic in teeth due to passive smoking and the effect of magnetite iron-oxide nanoparticles in its removal. Kavita.Y. Hiremath, from Central University of Karnataka, discussed microbial mitigation using biosurfactants and nanotechnology. C. Selvi from Tamil Nadu Agricultural University validated the QuEChERS method for determining organophosphorus residues in grapes using GC-FTD. Kirti Rani from the Wildlife Institute of India discussed the ecological impacts of endocrine disrupting chemicals in the Haiderpur Ramsar site, while Samridhi Gururani from the Wildlife Institute of India assessed the occurrence of emerging endocrine disrupting chemicals in fish in the upper Ganga River. Pooja Chaudhary from the Wildlife Institute of India discussed the quantification and ecological risk assessment of estrogenic plastic additives in a tourist-influenced Nainital Lake.

On day 3, there were two parallel sessions followed by plenary talks and invited talks. Narendra Kumar from Åbo Akademi University discussed the removal of pharmaceuticals from aqueous phase using catalytic materials, discussing catalyst synthesis, hysic-chemical characterizations, and reaction mechanisms. He also discussed catalytic ozonation kinetic experiments using a double jacket reactor

operated in semi-batch mode connected in an ozone generator. Liquid chromatography-mass spectrometry (LC-MS) was used for quantifying by-products during catalytic ozonation reactions.

Goran Gajski from the Institute for Medical Research and Occupational Health in Zagreb, Croatia, discussed the impact of air pollution on genomic stability and public health, highlighting the potential for air pollution to alter DNA molecules and affect human health. Harish Barshilia from the Surface Engineering Division at CSIR-National Aerospace Laboratories discussed new eco-friendly surface modification technologies, emphasizing the importance of surface coatings for aerospace, engineering, missile, and manufacturing applications.

Murali Mohan.K, from Agricultural University, Bangalore, India, presented on the impact of neonicotinoid insecticide exposure on the survival and foraging activity of the Indian Honey Bee, Apis cerana. His research highlights the need to address the harmful effects of neonicotinoids on honey bees, particularly with extended exposure. Jeevan Prasad Reddy, from the Department of Food Packaging Technology at CSIR-Central Food Technological Research Institute, discussed sustainable alternatives to single-use plastics, including eco-friendly polymer materials like PE and PP. K. Narasimha Rao, Senior Scientist at Aurigene Oncology Limited, submitted an abstract on small molecule drug discovery and development.

John Nikhil, from the University of Calicut, discussed the neurotoxic effects of carbamazepine on mosquitofish Gambusia affinis, focusing on alterations in neurotransmitter levels. He concluded that variations in these neurotransmitters highlight potential risks to fish populations in natural ecosystems and raise concerns about their long-term survival. Amruth H D Gowda from GITAM University discussed the photocatalytic degradation of dye pollutants and pharmaceuticals over manganese-doped bismuth molybdate (Mn-Bi2MoO6) double-layered perovskite nanomaterials, revealing that Mn-doped bismuth molybdate is a potential material for wastewater treatment for the removal of Congo red and tetracycline pharmaceuticals by photo degradation in the presence of synthesized materials.

Mayur Uday Karvekar, from B.M.S College of Engineering, Bangalore, India, presented on the biogenic Calcium Iron Oxide Nanocomposite, exploring pesticide photocatalytic degradation. He highlighted the impetus of eco-friendly heterogeneous catalysis in pesticide pollution control and presented the combustion method for the synthesis of Calcium iron oxide Ca2Fe2O5 using the ethanolic extract of Acmella

Conference Call

oleracea plant. The presentation also discussed the results of characterization of materials and photochemical degradation of pesticides.

The fourth oral presentation by Chaitra N T from PES University, Bangalore, India, focused on developing a predictive model of the human gut microbiome to degrade chlorpyrifos using a cell designer tool to control Parkinson’s disease. The study demonstrated a pathway for gene-regulatory and biochemical networks using Ralstonia pickettii and E. coli using Cell Designer Ver. 4.4. S. Rajkumar Reddy from B.M.S College of Engineering discussed the performance of iron coated Prosopis juliflora carbon (FPJC) for removing acetaminophen (ACT) and tetracycline (TET) in both mono-component and multi-component systems. Tanush P Harish from PES University discussed a system biology approach to mitigate the risk of Parkinson’s disease in the degradation of cypermethrin using Cell Designer by Lacticaseibacillus paracasei.

The seventh oral presentation by Shaikshavali M from National Forensic Sciences University discussed advancements in electrochemical sensors, emphasizing their importance in detection and quantitative analysis of chemical and biological analytes in various fields. M. Prathap Kumar from MVJ College of Engineering presented results of photocatalytic removal studies with an optimum catalytic dosage of nitrogen-doped ZnO nano-bundles for 2,4-D removal through visible light induced photocatalytic degradation.

The ninth oral presentation by K. S Roshni from Pesticide Action Network (PAN) India discussed herbicide use, public health, and environmental consequences in India. The tenth presentation by A. D. Dileep Kumar from PAN India discussed regulatory failures in pesticide management, which compromise public health and environmental wellbeing. The eleventh oral presentation by Thamaraikannan from ICMR-Regional Occupational Health Centre (Southern) discussed the assessment of polychlorinated biphenyls (PCBs) in ambient air and its health risk evaluation in urban areas of Bangalore, India.

The conference focused on the impact of environmental pollution, including pesticides, pharmaceuticals, and personal care products (PPCPs), polychlorinated biphenyls (PCBs), and polycyclic aromatic hydrocarbons (PAHs), on the environment and human health. The presentations included a decadal analysis of groundwater quality in Bangalore’s rural district, a discussion on sources of noise pollution, and a mechanical activation of natural bentonite for producing nanoporous bentonite using ball milling and extrusion processes for the removal of cationic dyes from wastewater.

The conference concluded with certificates being distributed in the valedictory function, followed by a group photo. All presentations were filled with interesting invited talks and oral contributions, interlaced with intense discussions. The conference provided an opportunity to discuss remedial methods and technology for reducing environmental pollution and its effects on the environment.

Funding agencies, including East Point College of Engineering and Technology (EPGI) management, were instrumental in the success of the conference. The organizing committee, faculty, and student volunteers of EPCET also provided valuable support and encouragement. The conference was successful due to the support and contributions of all plenary and invited speakers and delegates.

The conference has developed a strong network of experts and researchers from India and abroad, motivating the organizer to organize future conferences in similar or allied domains with the support of research labs and organizations of national and international importance.

Sreenivasa Rao Amaraneni, < drsreenivasa.chem@eastpoint. ac.in> CSci, CChem, FRSC., DAAD, Royal Society, RSCDWF, EACHVS, INSA, JNCASR & IASc Fellowships Awardee., is Professor in Department of Chemistry East Point College of Engineering & Technology, East Point Group of Institutions, Jnana Prabha, East Point Campus, Virgo Nagar Post, Avalahalli, Bangalore-560049, Karnataka, India

Sydney, Australia

32nd International Symposium on the Chemistry of Natural Products 12th International Congress on Biodiversity

The 32nd IUPAC International Symposium on the Chemistry of Natural Products (ISCNP), held in conjunction with the 12th IUPAC International Congress on Biodiversity (ICOB), will bring together experts from around the world to discuss the latest developments in natural products research.

Scientific themes will include:

- Isolation & structure elucidation; - Total synthesis & synthetic methodology; - Biosynthesis; - Synthetic biology; - Chemical ecology; - Biologically active molecules & medicinal chemistry; - Informatics & artificial intelligence

The RACI NSW Natural Products Group Symposium 2025 will be proudly held in conjunction with this meeting

Mark Your Calendar

2025 (from July 1st)

Upcoming IUPAC-endorsed events

Mark Your Calendar

10-11 Dec 2025 - LC-MS method validation and performance – Rome, Italy

Joint IUPAC-DSM Workshop on LC-MS method validation and performance - 2nd edition of DSM workshop “LC-MS and LC-MS/MS method validation in the scientific research”

Contact: Fabiana Piscitelli, Consiglio Nazionale delle Ricerche, Istituto di Chimica Biomolecolare, fpiscitelli@ icb.cnr.it • https://www.spettrometriadimassa.it/Congressi/Methods_Validation_2025 https://iupac.org/project/2021-036-1-500

28 Jun – 2 Jul 2026 – Biotechnology - Kobe-city, Japan

The 20th International Biotechnology Symposium and Exhibition Program committee co-chairs: Akihiko Kondo (Kobe University), E-mail: akondo@kobe-u.ac.jp and Haruyuki Atomi (Kyoto University), E-mail: atomi.haruyuki.8r@kyoto-u.ac.jp IBS2026 Secretariat E-mail: ibs2026@aeplan.co.jp, www tba

13-17 July 2026 - Chemistry Education in the Age of AI - Erzurum, Türkiye 28th International Conference on Chemistry Education (ICCE) with a joint organization of 17th European Conference on Research in Chemical Education (ECRICE)

Contact: Mustafa Sozbilir, Atatürk University, E-mail: sozbilir@atauni.edu.tr • https://iccecrice2026.org/

28-31 July 2026 – MACRO - Kuching, Sarawak, Malaysia – NEW DATES

51st IUPAC World Polymer Congress

Chair, MACRO 2026: Rusli Daik, E-mail: rusli.daik@ukm.edu.my, www tba

15-17 Sep 2026 - 26th Isoprenoid Conference - Novotného Lávka, Prague Program Chair: Pavel Drašar, drasarp@vscht.cz, UCT Prague, Czech Republic https://isopsoc.org/Isoprenoids2026.html

8-16 Jul 2027 - IUPAC World Chemistry Congress 2027 - Montréal, Québec, Canada 54th IUPAC General Assembly and 51st World Chemistry Congress and together with the 110th Canadian Chemistry Conference and Exhibition www.iupac2027.org

Visas

It is a condition of endorsements that organizers of meetings under the auspices of IUPAC, in considering the locations of such meetings, should take all possible steps to ensure the freedom of all bona fide chemists from throughout the world to attend irrespective of race, religion, or political philosophy. IUPAC endorsement implies that entry visas will be granted to all bona fide chemists provided application is made not less than three months in advance. If a visa is not granted one month before the meeting, the IUPAC Secretariat should be notified without delay by the applicant.

How to Apply for IUPAC Endorsement

Conference organizers are invited to complete an Application for IUPAC Endorsement (AIE) preferably 2 years and at least 12 months before the conference. Further information on granting endorsement is included in the AIE and is available upon request from the IUPAC Secretariat or online.

www.iupac.org

I U P A C

ADVANCING THE WORLDWIDE ROLE OF CHEMISTRY FOR THE BENEFIT OF MANKIND

The International Union of Pure and Applied Chemistry is the global organization that provides objective scientific expertise and develops the essential tools for the application and communication of chemical knowledge for the benefit of humankind and the world. IUPAC accomplishes its mission by fostering sustainable development, providing a common language for chemistry, and advocating the free exchange of scientific information. In fulfilling this mission, IUPAC effectively contributes to the worldwide understanding and application of the chemical sciences, to the betterment of humankind.

NATIONAL ADHERING ORGANIZATIONS

Australian Academy of Science (Australia)

Österreichische Akademie der Wissenschaften (Austria)

Bangladesh Chemical Society (Bangladesh)

The Royal Academies for the Sciences and Arts of Belgium (Belgium)

Bulgarian Academy of Sciences (Bulgaria)

National Research Council of Canada (Canada)

Sociedad Chilena de Química (Chile)

Chinese Chemical Society (China)

Chemical Society located in Taipei (China)

LANOTEC-CENAT, National Nanotechnology Laboratory (Costa Rica)

Croatian Chemical Society (Croatia)

Czech National Committee for Chemistry (Czech Republic)

Det Kongelige Danske Videnskabernes Selskab (Denmark)

Finnish Chemical Society (Finland)

Comité National Français de la Chimie (France)

Deutscher Zentralausschuss für Chemie (Germany)

Association of Greek Chemists (Greece)

National Autonomous University of Honduras (Honduras)

Hungarian Academy of Sciences (Hungary)

Indian National Science Academy (India)

Royal Irish Academy (Ireland)

Israel Academy of Sciences and Humanities (Israel)

Consiglio Nazionale delle Ricerche (Italy)

Caribbean Academy of Sciences—Jamaica (Jamaica)

President

Prof. Ehud Keinan, Israel

Vice President

Prof. Mary Garson, Australia

Past President

Prof. Javier García Martínez, Spain

Secretary General

Dr. Zoltán Mester, Canada

Treasurer Dr. Wolfram Koch, Germany

Science Council of Japan (Japan)

Jordanian Chemical Society (Jordan)

B.A. Beremzhanov Kazakhstan Chemical Society (Kazakhstan)

Korean Chemical Society (Korea)

Kuwait Chemical Society (Kuwait)

Institut Kimia Malaysia (Malaysia)

Nepal Polymer Institute (Nepal)

Koninklijke Nederlandse Chemische Vereniging (Netherlands)

Royal Society of New Zealand (New Zealand)

Chemical Society of Nigeria (Nigeria)

Norsk Kjemisk Selskap (Norway)

Polska Akademia Nauk (Poland)

Sociedade Portuguesa de Química (Portugal)

Colegio de Químicos de Puerto Rico (Puerto Rico)

Russian Academy of Sciences (Russia)

Comité Sénégalais pour la Chimie (Sénégal)

Serbian Chemical Society (Serbia)

Slovak National Committee of Chemistry for IUPAC (Slovakia)

Slovenian Chemical Society (Slovenia)

National Research Foundation (South Africa)

Real Sociedad Española de Quimíca (Spain)

Institute of Chemistry, Ceylon (Sri Lanka)

Svenska Nationalkommittén för Kemi (Sweden)

Swiss Academy of Sciences (Switzerland)

Department of Science Service (Thailand)

Türkiye Kimya Dernegi (Türkiye)

Royal Society of Chemistry (United Kingdom)

National Academy of Sciences (USA)

PEDECIBA Química (Uruguay)

Version last udpated 1 December 2024

Palais des congrès de Montréal

Vue du Vieux-Port de MontréalLa Grande Roue