THE STOCKHOLM DECLARATION ON CHEMISTRY FOR THE FUTURE

Paul T. Anastas

Center for Green Chemistry and Green Engineering

Yale University

^*Corresponding author: paul.anastas@yale.edu

Abstract

On May 23, 2025, The Stockholm Declaration on Chemistry for the Future was first presented to the public. This declaration is a list of imperatives on how the power of chemistry must be implemented at scale for the benefit of people, prosperity, and the planet. This declaration was the work of scientists and engineers from around the world who convened at the “Nobel Symposium on Chemistry for Sustainability: Fundamental Advances”. One of the most important sentences in the declaration is “sustainability without innovation would be impossible and innovation without sustainability would be ruinous.”

The declaration is a call to action to build on and continue the brilliant inventions and innovations of scientists and engineers AND to engage the broader public in the critical work of education, investment, policymaking, communication, and beyond to ensure that the best of our chemical technologies are actually implemented to improve life for today's society and tomorrow's generations.

The Stockholm Declaration on Chemistry for the Future is open to all individuals, organizations, institutions, businesses, companies, and governments to sign it and join in the efforts to implement chemistry that results in a better world.

Topic of Presentation: g-xTB: DFT accuracy at tight-binding speed

Stefan Grimme

Mulliken Center for Theoretical Chemistry, Clausius Institute for Physical and Theoretical

Chemistry, University of Bonn, Beringstraße 4, 53115 Bonn, Germany

I will present our third-generation tight-binding electronic structure model g-xTB (g=general) for general chemistry applications. This includes non-local Fock-exchange as well as other new, many-center Hamiltonian terms (e.g., atomic correction potentials, ACP). Another important new ingredient is the adaptive q-vSZP minimal AO basis set[1] which provides in typical DFT applications results of about or better than DZ quality. The “breathing” of the AOs in the molecular environment is parameterized efficiently by on-the-fly computed effective atomic charges obtained by a new EEQ-bond-capacitor charge model[2] and coordination numbers. g-xTB aims at general purpose applicability and more closely approaches DFT accuracy (actually ωB97M-V/aTZ[3]) than previous semi-empirical methods at only slightly increased computational cost (factor of 1.5 compared to GFN2-xTB). It will be consistently available for all elements Z=1-103 with f-electrons included for lanathanides/actinides. The talk gives a fresh look at the underlying TB theory as well as extensive benchmarking on a wide range of standard thermochemistry sets.

[1] M. Müller, A. Hansen, S. Grimme, J. Chem. Phys. 159 (2023), 164108. Revision: JPC A,

doi:10.1021/acs.jpca.4c06989

[2] T. Froitzheim, M. Müller, A. Hansen, S. Grimme, https://doi.org/10.26434/chemrxiv-2025-

1nxwg

[3] N. Mardirossian and M. Head-Gordon, J. Chem. Phys. 144 (2016), 214110

Reticular Chemistry, Climate, AI

Omar M. Yaghi

Department of Chemistry, Bakar Institute of Digital Materials for the Planet, University of California, Berkeley

The clean air, clean energy, and clean water challenges facing our planet today impact our health, wealth, happiness, and future. These three stresses present difficult science and engineering problems requiring, the selective capture of small molecules (e.g. hydrogen, methane, carbon dioxide, and water). Our ability to capture, store, manipulate, and harness the power of these molecules in an efficient and economical manner is paramount to our success in building a sustainable future. The emerging field of reticular chemistry has yielded extensive classes of ultra-porous metal-organic frameworks and covalent organic frameworks. The flexibility with which these materials can be made, modified, and scaled bodes well for their integration into devices and providing robust solutions to these challenges. In this presentation, I will highlight how reticular chemistry has led us to make frameworks for carbon capture from air and flue gas, as well as for harvesting water from air to produce drinking water in various parts of the world regardless of temperature and humidity levels. Our efforts in taking this technology from the laboratory to the field including the design and engineering of prototypes and applying AI tools to speed up discovery will be discussed and the results presented. 

MESOSTRUCTURED MATERIALS DRIVING INNOVATIONS IN CLEAN ENERGY AND ENVIRONMENTAL SUSTAINABILITY

Joon Ching Juan^*

Nanotechnology and Catalysis Research Center (NANOCAT), Universiti Malaya,

50603 Kuala Lumpur, Malaysia

*Corresponding author: jcjuan@um.edu.my (Juan JC)

Abstract

Rapid economic growth has given rise to two critical global challenges, namely environmental pollution and the need for sustainable energy. Among these, water contamination caused by diverse persistence organic pollutants in wastewater poses serious threats to both human health and aquatic ecosystems. At the same time, heavy reliance on fossil fuels has led to excessive greenhouse gas emissions. In line with the United Nations Sustainable Development Goals (SDGs) 6 (Clean Water and Sanitation) and 7 (Affordable and Clean Energy), there is an urgent need to explore new pathways that support economic advancement while ensuring sustainability. Mesostructured materials characterized by their high surface area and porosity, offer promising potential to meet these goals. Our research is dedicated to the development and structural engineering of advanced mesoporous materials, with a focus on mesoporous titania, hexagonal mesoporous silica, hierarchical zeolites, molybdenum disulfide, and mesoporous graphitic carbon nitride. These tailored mesoporous catalysts have shown remarkable hydrogen-free deoxygenation activity for biofuel production with over 85% yield. The results highlight that surface area, porosity, and catalytic acidity play key roles in enhancing deoxygenation activity. In addition to a high surface area, tailoring structural imperfections in mesoporous photocatalysts, such as introducing oxygen vacancies, creates a synergistic effect that dramatically improves photocatalytic activity. We are among the pioneers in applying mesoporous materials for photocatalytic wastewater treatment and the hydrogen-free deoxygenation of non-edible oils into biofuels. The exceptional catalytic efficiency of mesostructured arises from the synergistic contributions of large surface area, high porosity, reduced electron-hole recombination, narrowed band gaps, and intrinsic acidity. Our innovative strategy has opened a new direction for engineering mesoporous materials with targeted modifications to effectively deliver clean water and sustainable energy solutions.

Keywords: Mesoporous, catalysis, deoxygenation, photocatalysis, biofuel

NANOENGINEERING CATALYSTS FOR BIOREFINING

Karen Wilson^a,*

^aSchool of Environment & Science, Griffith University, Gold Coast Campus, Queensland, Australia.

^*Corresponding author: karen.wilson6@griffith.edu.au; k.wilson1971@gmail.com

Abstract

The quest for sustainable technologies to meet the food, energy and material challenges of this century is a key driver for the design of next-generation catalysts and industrial chemical processes. Control over the rate and pathway of associated chemical transformations represents the Holy Grail for catalysis. The rational design of heterogeneous catalysts with optimal performance heavily relies on a detailed understanding of atomic and molecular interactions and associated reactions at solid surfaces, for which in situ and operando studies can offer unparalleled insight. 

The design of new heterogeneous catalysts tailored to meet the increasingly stringent demands of sustainable processes requires consideration of both the macroscopic physico-chemical properties of new materials, and a microscopic understanding of the fundamental interactions between the catalyst surface and the reactants/products. This presentation will highlight how advances in inorganic synthesis, underpinned by nanoscale materials visualisation and molecular level insight into dynamic surface chemistry probed through in-situ time-resolved spectroscopies can unlock new high-performance catalysts. A particular focus will be how nanoengineering support architecture and nanoparticle morphology can overcome the scientific and engineering barriers to the conversion of sustainable feedstocks to platform chemicals,^{[i], [ii], [iii]} and monomers for renewable polymers.[iv]

Keywords: Biorefining; Operando spectroscopy; Catalysis; Sustainable Chemistry

Fig. 1 In-situ XAS reveals how Au/LDH catalysts used for the synthesis of 2,5-furandicarboxylic acid evolve during thermal processing. 

References

[i]. Osatiashtiani, A.; Lee, A.F.; Brown, D.R.; Melero, J.A.; Morales G.; Wilson, K. Cat. Sci. Tech. 2014, 4, 333

[ii]. Merenda, A.; Orr, S.A.; Liu, Y.; Hernández Garcia, B.; Osatiashtiani, A.; Morales, G.; Paniagua, M.; Melero, J.A.; Lee, A.F.; Wilson, K. ChemCatChem, 2023, e202201224

[iii]. Liu, Y.; Forster, L.; Mavridis, A.; Merenda, A.; Ahmed, M.; D'agostino, C.; Konarova, M.; Seeber, A.; Della Gaspera, E.; Lee, A.F.; Wilson, K. ChemSusChem, 2024, e202401494.

[iv]. Ardemani, L.; Cibin, G.; Dent, A. J.; Isaacs, M. A.; Kyriakou, G.; Lee, A. F.; Parlett, C. M.; Parry, S. A.; Wilson, K. Chemical Science 2015, 6, 4940

PROBING FREE ENERGY IN REACTIONS BY THZ SPECTROSCOPY – ASK THE WATER!

Martina Havenith

Department of Physical Chemistry II, Ruhr University Bochum, Germany

^*Corresponding author: martina.havenith@rub.de

Abstract

Exploring the unique role of water for life is one of the top future challenges in chemistry. Whether fast protein motion and solvent dynamics are correlated at the very heart of enzymatic reactions is still under heated debate. The underlying molecular mechanism of enthalpy-entropy (H/S) compensation in protein-ligand binding remains controversial. Systematic studies under steady state conditions revealed that differences in the structure and thermodynamic properties of the waters surrounding the bound ligands are an important contributor to the observed H/S compensation. These hydration free energies are dictated by a subtle balance of hydrophobic and hydrophilic interactions. Calorimetry served as a powerful biophysical tool by measuring changes in thermodynamic state variables, but it is restricted to measurements in equilibrium and in macroscopic samples. THz calorimetry is a novel spectroscopic approach, which allows to deduce hydration free entropy and enthalpy based on spectroscopic observables. Thereby, we can probe reach time resolutions of up to picoseconds and probe inhomogeneous samples. By probing the low frequency range which is most sensitive to the intermolecular interactions (100–600 cm−1), we established a direct correlation between spectroscopic observables and local contributions to the solvation free energy. Liquid-liquid phase separation (LLPS) describes the reversible compartmentalization of protein solutions into a protein-rich and a dilute phase; the former one being a local hotspot for neurotoxic aggregation in case of Alzheimer or Huntington disease. Using THz calorimetry, we observe how LLPS can be tuned by changes in hydration entropy and enthalpy. This allows to unravel two underlying molecular mechanism, which drive this process: The release of “Cavity-wrap” water hydrating hydrophobic patches during LLPS yielding an increase in entropy. In contrast, “Bound” water hydrating hydrophilic patches is retained. This process is enthalpically favorable. Both contributions favor protein aggregation in liquid droplets. A fundamental understanding of these processes is a prerequisite for tuning of LLPS.

Keywords: THz spectroscopy, THz calorimetry, Water, Liquid-liquid phase separation (LLPS)

References

1.   S. Pezzotti, F. Sebastiani, E.P. van Dam, S. Ramos, V. Conti Nibali, G. Schwaab, M. Havenith, Angew. Chem. Int. Ed., 2022, 61, e20220389.

2.   S. Pezzotti, B. König, S. Ramos, G. Schwaab, M. Havenith, J. Phys. Chem. Lett., 2023, 14, 1556–1563.

3.   S. Pezzotti, W. Chen, F. Novelli, X. Yu, C. Hoberg, M. Havenith, Nat. Rev. Chem., 2025, accepted.

SSTOICHIOMETRIC AND CATALYTIC REACTIONS WITH N-HETEROCYCLIC CARBENE PINCER LIGANDS

Pierre Braunstein^a*

^aUniversity of Strasbourg – CNRS, Institute of Chemistry, 67081 Strasbourg (France)

*Corresponding author: braunstein@unistra.fr

Abstract

The reactivity of organometallic complexes and of homogeneous metal-based catalysts largely depends on the control of the metal coordination sphere exerted by the ligands. This accounts for the growing interest in multifunctional ligands, particularly with chemically different donor functionalities and / or constrained geometries.¹ N-Heterocyclic carbene (NHC) ligands (Figure 1), bearing additional donor groups with significantly different stereoelectronic properties, are ideal candidates for studying the chemoselectivity of their coordination to metal centres and its impact on the reactivity of the corresponding metal complexes.² Furthermore, NHC donors can be introduced in pincer-type structures (Figure 2),³ and unexpected reactivity of C–H and C– P bonds have been observed with Ni and Pd complexes bearing N^imineC^NHCN^imine or PC^NHCP pincer ligands.^4,5 

Figure 1. Typical structure of a N-Heterocyclic Carbene (NHC) Ligand 

Figure 2. Generic structure of a pincer complex with a NHC donor in the bridgehead position.³ 

Keywords: Organometallic Reactivity, Functional Ligands, N-Heterocyclic Carbenes, Transition Metal Pincer Complexes, Bond Activation

References

1. See e.g. (a) C. Fliedel, A. Ghisolfi, P. Braunstein, Chem. Rev. 2016, 116, 9237; (c) T. Agapie,Coord. Chem. Rev. 2011, 255, 861; (d) C. Bariashir, C. Huang, G. A. Solan, W.-H. Sun, Coord.Chem. Rev. 2019, 385, 208; (e) O. L. Sydora, Organometallics 2019, 38, 997; (f) A. A.Danopoulos, T. Simler, P. Braunstein, Chem. Rev. 2019, 119, 3730; (g) P. Ai, A. A. Danopoulos,P. Braunstein, Inorg. Chem. 2015, 54, 3722; (i) P. Ai, M. Mauro, C. Gourlaouen, S. Carrara, L.De Cola, Y. Tobon, U. Giovanella, C. Botta, A. A. Danopoulos, P. Braunstein, Inorg. Chem 2016, 55, 8527.

2. See e.g. (a) S. Hameury, P. de Frémont, P. Braunstein, Chem. Soc. Rev. 2017, 46, 632; (b) V.Charra, P. de Frémont, P. Braunstein, Coord. Chem. Rev. 2017, 341, 53; (c) H. V. Huynh, The Organometallic Chemistry of N-Heterocyclic Carbenes, John Wiley & Sons Ltd, 2017; (d) A. A. Danopoulos, T. Simler, P. Braunstein, Chem. Rev. 2019, 119, 3730–3961; (e) T. Simler, A. A.Danopoulos, P. Braunstein, N-Heterocyclic Carbene Complexes of Cobalt, in: G. Parkin, K. Meyer, D. O’Hare (eds.) Comprehensive Organometallic Chemistry IV. 2022, vol. 7, pp. 632–758, Kidlington, UK: Elsevier; (f) I. Ligielli, A. A. Danopoulos, P. Braunstein, T. Simler, NHeterocyclic Carbene Complexes of Nickel, ibid. vol. 8, pp. 427–574.

3. F. He, K. P. Zois, D. Tzeli, A. A. Danopoulos, P. Braunstein, Coord. Chem. Rev. 2024, 514,215757

4. X. Ren, C. Gourlaouen, M. Wesolek, P. Braunstein, Angew. Chem. Int. Ed. 2017, 56, 12557.

5. F. He, C. Gourlaouen, H. Pang, P. Braunstein, Chem. Eur. J. 2022, 28, e202104234; F. He, C.Gourlaouen, H. Pang, P. Braunstein, Chem. Eur. J. 2022, 28, e202200507.

PLASMONIC AND MAGNETIC NANOPARTICLES FOR BIOMEDICAL APPLICATIONS

Nguyen Thi Kim Thanh MAE FRSC FInstP FRSB FAPS FIMMM 

Biophysics Group, Department of Physics and Astronomy, University College London, and UCL Healthcare Biomagnetics and Nanomaterials Laboratory

21 Albemarle Street, London W1S 4BS, London,UK

*Corresponding author: ntk.thanh@ucl.ac.uk

Abstract

The development of new chemical methods for the next generation of nanoparticles with very high magnetic moment, fine tuning Au nanorods and novel hybrid and multifunctional nanostructure is presented. Detailed mechanistic studies of their formation by sophisticated and advanced analysis of the nanostructure allows tuning of the physical properties at the nanoscale; these can subsequently be exploited for diagnosis and treatment of various diseases. The studies are conducted to provide insight for future material design approaches. It will also help to identify the critical process parameters that can be manipulated in order to obtain the suitable physical properties for the intended applications.  

Keywords: Nanoparticles, magnetic hyperthermia, MRI contrast agent, infectious diseases and cancers      

Reference:

1. Storozhuk, L., Besenhard M. O., Mourdikoudis, S., LaGrow, A. P., Lees, M.R., Tung, L. D., Gavriilidis, A., Thanh, N. T. K* (2021) Simple and Fast Polyol Synthesis of Stable Iron Oxide Nanoflowers with Exceptional Heating Efficiency. Journal of Applied Materials and Interface. 13: 45870−45880)

2. See more publications here: https://scholar.google.com/citations?user=pK_qvc0AAAAJ

VISIBLE-EMITTING RARE EARTH COMPLEXES FOR SENSING AND SOLAR ENERGY CONVERSION

Lidia Armelao^a,b

^aDepartment of Chemical Sciences, University of Padova, Via Marzolo 1, 35131 Padova, Italy

^bDepartment of Chemical Sciences and Materials Technology, National Research Council (CNR),

Piazzale A. Moro 7, 00185 Roma, Italy

*Corresponding author: lidia.armelao@unipd.it

Abstract

Complexes of rare-earth ions (RE³⁺) represent a vast source and a promising approach for the development of luminescent functional materials. To fully exploit their properties, it is necessary to develop versatile synthetic protocols, investigate in detail the correlations between different molecular fragments, emission, and functional properties. Furthermore, it is crucial to develop synthetic approaches that enable the processability of luminescent complexes to achieve materials and devices that maintain or even enhance the functional properties. In this context, we have focused on β-diketonate complexes as a platform for our research. They are a well-known and extensively studied class of complexes commonly used to sensitize the luminescence of RE³⁺ ions via the so-called antenna effect. The spectroscopic properties of β-diketonates can be modulated by varying the nature of the R,R' substituent groups and the ancillary ligands that complete the coordination sphere of the cation.¹ Moreover, through appropriate functionalization, it is possible to modulate the number, type, and relative position of the binding sites in the ligands, thus controlling the number and spatial organization of the RE³⁺ cations in the complex.^2,3 This modulation allows obtaining monometallic complexes, dimers, oligomers, and even extended structures such as coordination polymers or MOFs. In addition to multinuclear complexes containing only -4f ions, a careful choice of the binding sites on the ancillary ligands allows the preparation of heterometallic systems containing -4f and -d or -p block cations,⁴ thus expanding the possibilities for optimizing and improving the functional properties. Following this synthesis strategy, we used luminescent complexes of Eu³⁺ and Tb³⁺ to develop molecular thermometers and for the sensing of small chiral molecules. By integrating the complexes into polymeric matrices we obtained highly luminescent and transparent materials employed for the development of solar energy conversion devices.^5,6 

Keywords: Rare earth luminescence, molecular thermometers, luminescent solar concentrators

References

1. Bellucci, L.; Bottaro, G.; Labella, L.; Causin, V.; Marchetti, F.; Samaritani, S.; Belli Dell'Amico, D.; Armelao L. Inorg. Chem. 2020, 59, 18156 – 18167.
2. Rancan, M.; Tessarolo, J.; Carlotto, A.; Carlotto, S.; Rando, M.; Barchi, L.; Bolognesi, E.;Seraglia, R.; Bottaro, G.; Casarin, M.; Clever, G.H.; Armelao L. Cell Reports Physical Science 2022, 3, 100692.
3. Bellucci, L.; L. Fioravanti, Armelao L.; Bottaro, G.; Marchetti, F.; Pineider, F.; Poneti, G.;Samaritani, S.; Labella L. Chemistry - A European Journal 2023, 29, e2022028.
4. Bellucci, L.; Carlotto, S.; Bottaro, G.; Babetto, L.; Labella, L.; Gallo, E.; Marchetti, F.;Samaritani, S.; Armelao, L. iScience 2023, 26, 106614.
5. Motta, I.; Bottaro, G.; Rando, M.; Rancan, M.; Seraglia, R.; Armelao L. J. Mater. Chem. A, 2024, 12, 22516 - 22527.
6. Pelle, M.; Motta, I.; Gonnella, G.; Dessì, A.; Armelao, L.; Bottaro, G.; Calamante, M.; Mordini, A.; Moser D. Sol. RRL 2025, 9, 2400570.

PHOSPHINE-STABILIZED DICARBON AND ITS CHEMISTRY

Tiow-Gan Ong^a,*

Institute of Chemistry, Academia Sinica, Taipei, 115201, Taiwan, Republic of China^a.

*Corresponding author: tgong@gate.sinica.edu.tw

Abstract

Elusive diatomic C₂ has been prepared and structurally characterized as mono-ligated complex L→C₂ using a bulky bis(imidazolidin-2-iminato)methylphosphino ligand L = (NHC^R=N)₂(CH₃)P. The compound is stable in solution at ambient temperature and can even be isolated in the solid state. The reactivity has been investigated with a variety of reactions, suggesting the two lone-pairs residing between two adjacent carbons (C_β and C_α).^[1] The nature of the L→C₂ bond was also studied with quantum chemical methods to understand the nature of bonding. The successful isolation of a stable complex of C₂ ligated by a phosphine offers application in the transition metal coordination chemistry and catalysis.^[2] 

References

1. Leung, T. F.; Jiang, D. D.; Wu, M. C.; Xiao, D. M. F.; Ching, W. M.; Yap, G. P. A.; Yang, T.; Zhao, L. L.*; Ong, T. G.*; Frenking, G.*, Isolable Dicarbon Stabilized by a Single Phosphine Ligand. Nat. Chem. 2021, 13, 89-93.

2. Wu, M. C.; Liang, Y. F.; Jurca, T.; Yap, G. P. A.; Leung, T. F.*; Ong, T. G.*, Reactive Dicarbon as a Flexible Ligand for Transition-Metal Coordination and Catalysis, J. Am. Chem. Soc. 2022, 28, 12996–13005.

CONTROL OF EXCITED STATES, NANOSTRUCTURES AND FUNCTIONS THROUGH MOLECULAR DESIGN AND SUPRAMOLECULAR ASSEMBLY

Vivian Wing-Wah YAM^a,*

^aInstitute of Molecular Functional Materials and Department of Chemistry,

The University of Hong Kong, Pokfulam Road, Hong Kong, PR China

*Corresponding author: wwyam@hku.hk

Abstract

Works in our laboratory have shown that novel classes of light-absorbing and luminescent metalcontaining molecular materials could be assembled through the use of various metal-ligand chromophoric motifs. In this presentation, various design and synthetic strategies for new classes of chromophoric and luminescent metal complexes will be described. A number of these metal-ligand chromophoric complexes have been shown to display rich luminescence and photofunctional behavior.¹ The chromophoric and luminescence behavior have been studied. Correlations of the chromophoric and luminescence behavior with the electronic and structural effects of the metal complexes have been made to elucidate their spectroscopic origins. Some of these simple discrete metal complexes are found to undergo supramolecular self-assembly^1-5 or co-assembly^1,6,7 with block copolymers to give a variety of nanostructures and morphologies with different colors and emission properties. Subtle changes in the microenvironment, conformations and nanostructured morphologies have led to drastic changes in both the electronic absorption and emission properties of these hierarchical supramolecular assemblies.^1-7 Explorations into the underlying factors that determine their spectroscopic properties and morphologies as well as their assembly processes have provided new insights into the understanding of their photophysics, structure-property-function relationships, and the interplay of the various intermolecular forces and interactions for the directed assembly of metal-containing supramolecular assemblies and soft materials.^1-7 Manipulation of the electronic effects, molecular conformation, orientation and assembly has led to the control of the excited states in novel molecular materials and supramolecular assemblies.^1,3-7 The exploration into the potential applications and functions of these light-emitting discrete metal complexes, supramolecular assemblies and polymers will also be described.

Keywords: Supramolecular Assembly; Luminescence; Metal-Containing Functional Materials

References

1. Chan, M. H.-Y.; Yam, V. W.-W. J. Am. Chem. Soc., 2022, 144, 22805-22825.
2. Poon, J. K.-L.; Chen, Z.; Leung, S. Y.-L.; Leung, M.-Y.; Yam, V. W.-W. Proc. Natl. Acad. Sci.USA, 2021, 118, e2022829118.
3. Wong, E. K.-H.; Chan, M. H.-Y.; Tang, W. K.; Leung, M.-Y.; Yam, V. W.-W. J. Am. Chem. Soc., 2022, 144, 5424-5434.
4. Wang, H.-Z.; Chan, M. H.-Y.; Chen, Z.; Chen, Z.-Y.; Leung, M.-Y.; Yam, V. W.-W. Chem, 2023, 9, 3573-3587.
5. Chen, Z.; Chan, A. K.-W.; Wong, V. C.-H.; Yam, V. W.-W. J. Am. Chem. Soc., 2019, 141, 11204-11211.
6. Zhang, K.; Yeung, M. C.-L.; Leung, S. Y.-L.; Yam, V. W.-W. Chem, 2017, 2, 825-839.
7. Geng, Z.; Chiu, P. L.-Y.; Chan, M. H.-Y.; Yam, V. W.-W. Chem, 2024, 10, 1225-1239.

OPTIMISING PYROCHLORE STRUCTURED FUNCTIONAL CERAMICS: PROCESSING CONTROL, PHASE EQUILIBRIA, MICROSTRUCTURAL AND ELECTRICAL PROPERTIES

Kar Ban Tan

Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, UPM 43400, Serdang, Selangor

Corresponding author: tankarban@upm.edu.my

Abstract

Precise control of ceramic processing is paramount for optimising product quality, reliability and performance. This control significantly influences the microstructure and resultant mechanical, thermal, electrical and optical properties of the ceramic materials. Stringent process control not only minimises production costs and ensures environmentally benign manufacturing but also fosters innovation in materials tailored to specific applications, ranging from electronics to structural components. This presentation details the synthesis and characterisation of bismuth-containing pyrochlore systems, focusing on their phase equilibria, crystallo-chemical and dielectric properties. Technical data collected by both spectroscopic and microscopic techniques were utilised to correlate composition, structure and properties of these functional ceramics. Crucially, rigorous optimisation and processing were essential for achieving single-phase pyrochlore synthesis, maintaining thermal equilibrium and preventing bismuth volatilisation. This required exhaustive sample preparation for detailed phase evolution and equilibrium studies prior to construction of ternary phase diagrams, employing comprehensive quantitative and qualitative powder XRD analyses complemented by the disappearing phase method. The phase-pure pyrochlore subsolidus regions, phase compatibilities and phase assemblages between various phases were successfully identified. Consequently, doping mechanisms, utilising different compositional variables, were employed to describe the subsolidus solution areas, ensuring the overall charge electroneutrality of the systems. Furthermore, impedance data, superimposed on the pyrochlore subsolidus solution regions, illustrate the compositional influence on their dielectric properties. In conclusion, these findings provide further insights and broader understanding of various pyrochlore systems and their application in the development of high-performance ceramic capacitors.

Keywords: ceramics, pyrochlores, optimisation, phase equilibria, impedance

PEROVSKITE BARIUM TANTALUM OXYNITRIDE: FROM MATERIALS SYNTHESIS TO SOLAR WATER SPLITTING

Mirabbos Hojamberdiev^*

Mads Clausen Institute, University of Southern Denmark, Alsion 2, 6400 Sønderborg, Denmark

^*Corresponding author: mirabbos@mci.sdu.dk

Abstract

Although hydrogen is a zero-emission energy carrier, its current global production still heavily relies on fossil fuels. Current momentum on renewable energy and environmental remediation is unprecedented because of fast climate change. We all know the world is hurrying to achieve the United Nations Sustainable Development Goals (SDGs) by 2030. One of the important SDGs is Goal 7: Affordable and Clean Energy. As a replica of natural photosynthesis, a semiconductor-based artificial photosynthetic system is regarded as one of the most economically viable, highly efficient, and environmentally benign chemical processes to generate green hydrogen energy from solar water splitting. However, to harness solar energy efficiently, it is necessary to enhance the visible-light-driven photocatalytic performance of the existing materials and to discover novel visible-light-active materials. Mixed-anion compounds offer new opportunities in this regard [1]. As a 600 nm-class photocatalyst, BaTaO₂N has received particular attention due to its small bandgap (E_g = 1.8 eV), suitable band edge positions for visible-light-induced water splitting, chemical stability, and nontoxicity [2,3]. BaTaO₂N is routinely synthesized by a two-step method: (i) the synthesis of a corresponding oxide precursor and (ii) its high-temperature nitridation under an NH₃ atmosphere for a prolonged period. However, this two-step method leads to the formation of various defects that negatively affect the water-splitting performance. Therefore, we have applied an NH₃-assisted direct flux growth approach to reduce the defect density of BaTaO₂N, engineered the bandgap by cation doping, and explored the effects of the altered morphology, size, and porosity on the visible-light-induced water oxidation activity and photoelectrochemical performance of BaTaO₂N. The findings revealed that the photocatalytic activity and photoelectrochemical performance of BaTaO₂N were significantly influenced by particle morphology, size, porosity, dopant type, and doping amount. Particularly, the BaTaO₂N crystal structures obtained by nitridation of the oxide precursor without KCl flux exhibited a higher surface area and high anodic photocurrents compared to the BaTaO₂N crystal structures obtained by nitridation of the oxide precursor with KCl flux due to the high number of dangling bonds acting as nucleation centers for the highly dispersed CoO_x cocatalyst nanoparticles.

Keywords: Oxynitrides, BaTaO₂N, Water splitting, Green hydrogen, Photocatalysis

References

1.   Kageyama, H.; Hayashi, K.; Maeda, K.; Attfield, J. P.; Hiroi, Z.; Rondinelli, J. M.; Poeppelmeier, K. R. Nat. Commun. 2018, 9, 772.

2.   Marchand, R.; Pors, F.; Laurent, Y.; Regreny, O.; Lostec, J.; Haussonne, J. M. J. Phys. Colloques 1986, 47, C1-901.

3.   Higashi, M.; Abe, R.; Teramura, K.; Takata, T.; Ohtani, B.; Domen, K. Chem. Phys. Lett. 2008, 452, 120.

RECONSTRUCTING BIOSYNTHETIC PATHWAYS FOR COMPLEX FUNGAL NATURAL PRODUCTS

Emily J Parker^a,*, AuthorY^b, AuthorZ^b, AuthorW^c,

^aFerrier Research Institute, Victoria University of Wellington 6140, New Zealand.

^*Corresponding author: emily.parker@vuw.ac.nz

Abstract

Many organisms, including plants and microbes, utilise unique armouries of bioactive compounds provide protection against predators and enable establishment of new ecological niches. Although bioactive compounds are used widely for industrial and pharmaceutical applications their diversity remains largely untapped as many compounds are produced in very low yields and the complexity of their biosynthesis is yet to be fully understood.

The indole diterpenes (IDTs) class of fungal natural products that have attracted widespread interest due to their remarkable chemical diversity and attendant bioactivities, which include anti-bacterial, anti-viral, anti-cancer and insecticidal properties. By using heterologous expression and employing our new molecular biology tools, we have reconstructed biosynthetic pathway of some unusual and potentially valuable IDTs in an alternative fungal host. Our work has uncovered large natural product compound arrays, allowing access to many known and novel compounds.

Keywords: Indole diterpenes, filamentous fungi, heterologous biosynthesis

References

1. Bundela, R.; Cameron, R. C.; Singh, A. J.; McLellan, R. M.; Richardson, A. T., Berry, D.; Nicholson, M. J., Parker, E. J. (2023) Generation of alternate indole diterpene architectures in two species of aspergilli. J. Am. Chem. Soc. 145, 2754–2758

2. Richardson, A. T.; Cameron, R. C.; Stevenson, L. J.; Singh, A. J.; Lukito, Y.; Berry, D.; Nicholson, M. J.; Parker, E. J. (2022), Biosynthesis of nodulisporic acids: A multifunctional monooxygenase delivers a complex and highly branched array. Angew. Chem. Int. Ed., 61, e202213364.

3. McLellan, R. M.; Berry, B.; Cameron, R. C.; Parker, E. J. Non-canonical type II Terpene cyclases deliver rare terpenoid architectures (2025) J. Am. Chem. Soc https://doi.org/10.1021/jacs.4c18232.

ARE PLASTIC WONDER MATERIALS OR A CURSE ON ECOLOGY AND HUMAN LIFE?

Suresh Valiyaveettil

Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117548

*Corresponding author: chmsv@nus.edu.sg

Abstract

Plastic materials made from a wide range of polymers are used in almost every aspect of our day-today life. However, the linear synthetic strategy used for preparing common polymers only involves ease of production, high stability and processability with no circularity or sustainability. Large amounts of different polymers are produced and processed annually, but used polymer-based objects are difficult to recycle or reuse for multiple practical reasons. As a result, significant amounts of used plastic materials end up in the environment. Such plastic wastes in the environment undergo slow degradation and release small particles called micro- and nanoplastic particles. Even though, many studies pointed out the toxicity of additive chemicals such as phthalates and bisphenol A, present in plastics, only limited knowledge exists on the adverse impact of plastic particles on the health of terrestrial or aquatic animals. To address the plastic waste issues, a few groups are working on developing sustainable polymers to replace synthetic ones. We focus on understanding the biological impact of plastic particles using animal and human cellular models. Our results indicate that toxicity or adverse health impact of the nanoparticles of common polymers depends on the choice of animal models and the chemical nature of the polymers used. In a comparative study, fluorescent polymethylmethacrylate (PMMA), and polyvinylchloride (PVC) nanoparticles were used to explore the uptake, translocation, and toxicity in various biological models. PVC nanoparticles caused high mortalities in different animal and cellular models. The talk will provide some of our recent results and challenges in this area.  

SUSTAINABLE PREPARATION OF WHO ESSENTIAL MEDICINES BY MECHANOCHEMISTRY

Evelina Colacino^*

ICGM, Univ Montpellier, CNRS, ENSCM, 34293 Montpellier, France.

^*Corresponding author: evelina.colacino@umontpellier.fr

Abstract

Although there have been efforts to reduce the environmental impact of active pharmaceutical ingredient (API) production, the use of organic solvents (responsible for 75% of energy used) is still a critical step in many processes. Solvent-free (or low solvent) synthesis by mechanochemistry^1,2 fulfils several of the 12 Green Chemistry Principles³ and it is a promising sustainable and enabling technology to prepare value-added chemicals and pharmaceutically relevant fragments and functionalities, including APIs.

This presentation highlights case studies for preparing World Health Organization (WHO) essential medicines by mechanochemical processes, at different scales. The assessment by green chemistry metrics⁴ showcases how mechanochemistry can offer an eco-friendly and cost-effective pathway also to green pharmaceuticals, contributing in perspective, ‘to make our planet more sustainable’.⁵

Keywords: Mechanochemistry, Active Pharmaceutical Ingredients, Rearrangements, Green metrics.

References

1.   McNaught, A.D.; Wilkinson, A. IUPAC Compendium of Chemical Terminology (the Gold Book); 2^nd edition; Blackwell Scientific publications, Oxford, 1997.

2.   IUPAC Project: "Terminology and Symbolism for Mechanochemistry" https://iupac.org/project/2023-034-2-100 and Chem. Inter., 2024, 46, 34.

3.   Colacino, E.; Isoni, V.; Crawford, D.; Garcia, F. Trends in Chemistry, 2021, 3, 335-339.

4.   Fantozzi, N.; Volle, J-N.; Porcheddu, A.; Virieux D.; Garcia, F.; Colacino, E. Chem. Soc. Rev. 2023, 52, 6680 – 6714.

5.   Gomollon-Bel, F., Chem. Int. 2019, 12-17.

DEVELOPING NEW SYNTHETIC METHODOLOGIES OF DEAROMATIZATION REACTIONS

Shu-Li You*

New Cornerstone Science Laboratory, State Key Laboratory of Organometallic Chemistry, Shanghai

Institute of Organic Chemistry, Chinese Academy of Sciences 345 Lingling Lu, Shanghai 200032, China

*Corresponding author: slyou@sioc.ac.cn

Abstract

Dearomatization reactions are widely recognized as powerful methods for the synthesis of highly functionalized three-dimensional structures from simple planar aromatic compounds. Among those, catalytic asymmetric dearomatization (CADA) reactions are very attractive due to the abundance and ready availability of aromatic compounds and the direct access to enantiopure polycycles and spirocycles offered by them. That latter are frequently the key motifs in biologically active natural products and pharmaceuticals. However, due to the extra stability of “aromaticity” of the arenes, their dearomatization reactions with good enantioselective control has been a great challenge. In this talk, we present our recent results toward the development of new dearomatization reactions. The dearomatization reactions of indoles, pyrroles, phenols, naphthols, and pyridines have been achieved, affording various highly functionalized heterocycles bearing all-carbon quaternary chiral centers in most of the cases. These results provide not only the efficient synthesis of highly enantioenriched spiroor polycycles, but also a novel concept in synthetic methodology development.

Keywords: Aromatic compounds; asymmetric catalysis; dearomatization; homogenous catalysis; synthetic reaction 

References

1.   You, S.-L. (2016) Asymmetric Dearomatization Reactions, Wiley-VCH.

2.   Tu, H.-F.; Zhang, X.; Zheng, C.; Zhu, M.; You, S.-L. Nature Catal. 2018, 1, 601.

3.   Tu, H.-F.; Yang, P.; Lin, Z.-H.; Zheng, C.; You, S.-L. Nature Chem. 2020, 12, 838.

4.   Jiang, R.; Ding, L.; Zheng, C.; You, S.-L. Science 2021, 371, 380.

5.   Wang, Y.; Zhang, W.-Y.; Yu, Z.-L.; Zheng, C.; You, S.-L. Nature Synth. 2022, 1, 401.

6.   Huang, X.-Y.; Xie, P.-P.; Zou, L.-M.; Zheng, C.; You, S.-L. J. Am. Chem. Soc. 2023, 145, 11745.

7.   Li, M.-Z.; Huang, X.-L.; Zhang, Z.-Y.; Wang, Z.; Wu, Z.; Yang, H.; Shen, W.-J.; Cheng, Y.-Z.; You, S.-L. J. Am. Chem. Soc. 2024, 146, 16982.

8.   Yu, X.; Zheng, C.; You, S.-L. J. Am. Chem. Soc. 2024, 146, 25878.

FASTEN ROBOTIC SYNTHESIS OF BIOPOLYMERS BY AI GUIDED PREDICTION

Laura Russo^a,b

^aUniversità degli Studi di Milano Bicocca, Italy.

^bIRCCS Fondazione San Gerardo dei Tintori, Italy

*Corresponding author: laura.russo@unimib.it

Abstract

The synthesis of biomaterials is fundamental for applications in biomedicine, tissue engineering, and drug delivery. In particular, the extracellular matrix (ECM) and its glycosignature play crucial roles in cell fate induction, including pathogenesis. The design of biomaterials that replicate the structural and biomolecular complexity of ECM, with particular emphasis of glycosignature, enables the creation of in vitro tissue models that replicate functional and structural features of human tissues [1-3]. The capacity to generate patient specific in vitro tissue models will allow to identify personalized therapeutic treatments. However, the high number of structural and biochemical variables to define and replicate, require the use of AI and the abandonment of artisanal approaches to fasten the research and limit human errors. Automated manufacturing systems and 3D bioprinting, integrated with Artificial Intelligence (AI), Machine Learning (ML), and Deep Learning (DL), can streamline the synthetic process, defining and tuning the structural and biomolecular properties of the construct, including the highly specific glycosignature, to generate the required personalized in vitro 3D tissue model. This talk will present the development of AI-driven tools for the prediction and the automated synthesis of personalized 3D bioprinted tissue models, highlighting their potential to improve efficiency and predictive capabilities in biopolymer fabrication.

Keywords: Biomaterials; Glycocode; AI predictive synthesis, ECM mimics; Cell fate induction. 

Acknowledgment:

Financial support from: Iniziativa “PNC0000003 - “ANTHEM: AdvaNced Technologies for Human-centrEdMedicine”. CUP BICOCCA B53C2200667000; Ministero della Salute, RF-2021-12371959 Tackling immunomodulatory properties of stromal cells to improve therapeutic strategies in lung cancer. MUR PRIN 2022, 2022MY7AZT Dynamic multifunctional hydrogels for glioblastoma therapy (DINGO). 

References: [1] Nicolas J. et al. Biomacromolecules 2020. 21, 1968. [2] Cadamuro F. et al. Journal of Controlled Release 2023. 354, 726. [3] Cadamuro F. et al, Carbohydrate Polymers 2023. 302, 120395

CHIRAL SPIRO CATALYSTS FOR ASYMMETRIC HYDROGENATION OF KETONES

Qi-Lin Zhou

College of Chemistry, Nankai University Tianjin 300071, China

Email: qlzhou@nankai.edu.cn

Abstract

Chiral catalysts are the key for the catalytic asymmetric synthesis. In last few decades, many chiral catalysts have been developed. However, most of the reported chiral catalysts showed high activity and high enantioselectivity for limited reactions, sometime for only limited substrates. Very few chiral catalysts provided satisfying activity and enantioselectivity for a wide range of mechanistically unrelated reactions. In the last two decades, we have developed a new type of chiral catalysts with a spirobiindane framework. Chiral spiro catalysts exhibited excellent activity and enantioselectivity for wide range of reactions, such as asymmetric hydrogenation, carbon-carbon bond and carbon-heteroatom bond-forming reactions. This lecture will present the design and synthesis of chiral spiro catalysts and their applications in the asymmetric hydrogenation of ketones.

Keywords: Chiral catalyst; Spiro ligand; Ketone; Asymmetric hydrogenation.

References

1.     Xie, J.-H.; Zhou, Q.-L. Aldrichimica Acta 2015, 48, 33-40.

2.     Zhu, S.-F.; Zhou, Q.-L. Acc. Chem. Res. 2017, 50, 988-1001.

3.     Zhang, F.-H.; Zhang, F.-J.; Li, M.-L.; Xie, J.-H.; Zhou, Q.-L. Nat. Catal. 2020, 3, 621-627.

4.     Wang, Z.; Yang, X.-Y.; Xu, Y.; Zhou, Q.-L. CCS Chem. 2024, 6, 905-911.

QUALITY ASSURANCE IN LATEX PRODUCTS MANUFACTURING: WHAT IS NEEDED FOR FURTHER IMPROVEMENT

ENG AIK HWEE

^aK&W Training & Consulting

^*Corresponding author: engaikhwee@gmail.com

Abstract

Manufacturing of latex products such as rubber gloves and condoms requires strong technical knowledge as well as hands-on experience for consistent product quality. Unlike dry rubber, maintaining latex stability and homogeneity, and managing bubbles in coagulant and latex during the production process are some of the typical challenging tasks. In addition, the intra-particle and inter-particle crosslinks, prevulcanisation and post-vulcanisation, and different sulphidic crosslinks could significantly impact the performance of the products such as heat and solvent resistance, as well as tensile properties. Better controls on the quality of incoming raw materials, latex compounding and processing, are expected to help reduce product defects, leading to consistent product quality. On the other hand, insufficient control will cause inconsistent product quality and make troubleshooting difficult. Insufficient control could be the control methods are unavailable, too expensive, too complicated, or unknown to the manufacturers. This paper examines some of the more important parameters that significantly affect the quality of latex products and the corresponding monitoring methods. For important but unavailable or tedious methods, it is hoped that some researchers could help to develop or simplify them for the industry to adopt.

Keywords: Latex products, processing, quality assurance, monitoring methods 

MICROBIAL RUBBER DEGRADATION: NAVIGATING THE CHALLENGES FOR A SUSTAINABLE FUTURE

Kumar Sudesh

School of Biological Sciences, Universiti Sains Malaysia, 11800 Penang. Malaysia. 

ksudesh@usm.my

Abstract

Rubber waste, derived from both natural and synthetic sources, has become a significant environmental challenge due to its durability and resistance to degradation. Microbial degradation offers a promising, eco-friendly solution for addressing this issue. ¹ This presentation explores the potential of microbes in breaking down rubber, focusing on the mechanisms employed by bacteria and fungi, the challenges posed by rubber's chemical resistance, and recent advances in microbial engineering and enzyme optimization. Highlighting case studies on microbial degradation of tire waste ² and oceanic rubber particles, it emphasizes the role of interdisciplinary research and collaboration in overcoming barriers to scalability. ^3,4 With the integration of microbial solutions ⁵ into waste management systems and policy frameworks, this approach holds immense potential for a sustainable future. This presentation will delve into the science, challenges, and opportunities in microbial rubber degradation for environmental restoration and innovation.

Keywords: Actinomycetes, biodegradable, microplastics, rubber

References

1.     Basik, A. A.; Gibu, N.; Kawagiwa, Y.; Ng, S. M.; Yeo, T. C.; Sudesh, K.; Kasai, D. Front. Microbiol., 2024, 15, 1378082.

2.     Basik, A. A.; Trakunjae, C.; Yeo, T. C.; Sudesh, K. Front. Microbiol. 2022, 13, 854427.

3.     Basik, A. A.; Nanthini, J.; Yeo, T. C.; Sudesh, K. Polym. 2021, 20, 3524.

4.     Basik, A. A.; Sanglier, J. J.; Yeo, T. C.; Sudesh, K. Polym. 2021, 13, 1989.

5.     Nanthini, J.; Ong, S. Y. ; Sudesh, K. Gene. 2017. 628, 146-155.

ZERO-WASTE CLOSE-LOOP BIOREFINERY SYSTEM FOR FOOD AND YARD WASTE VALORIZATION

Jinhua Mou1,2, Yahui Miao1, Ziyao Liu1, Di Wu1, Jiale Zhu1,3, Sun Zheng3, Xiang Wang4, Peizeng Yang1, Zhenyao Wang1, Shao-Yuan Leu5, Chunbao Xu1, Sze Ki Carol Lin1,*

¹School of Energy and Environment, City University of Hong Kong, Kowloon, Hong Kong

²College of the Environment & Ecology, Xiamen University, China

³College of Fisheries and Life Science, Shanghai Ocean University, Shanghai, 201306, China

⁴Key Laboratory of Eutrophication and Red Tide Prevention of Guangdong Higher Education Institutes, College of Life Science and Technology, Jinan University, Guangzhou 510632, China

⁵Department of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hong Kong SAR, China

*Corresponding author: carollin@cityu.edu.hk

Abstract

According to Hong Kong Environmental Protection Department (HKEPD), approx. 1.2 million ton food waste (FW) and 80 kilo ton yard waste (YW), as two typical organic solid wastes, are generated annually in Hong Kong. In fact, both FW and YW are valuable renewable carbon resources or green alternatives to petroleum for energy and chemical production. However, the majority of these resources in Hong Kong are disposed of as wastes at landfills or by incineration, causing not only fast-depleted landfill spaces, but also secondary pollutions (leachate, CH4 GHG, NOx, and dioxins). Therefore, it is urgent to develop new technologies for the harmless, reduction, and resourceful treatment of organic wastes for bioenergy and high value-added bioproducts, in order to achieve the goal of zero landfill by 2035 & carbon neutrality by 2050 in the Hong Kong and support China’s initiative of promoting the construction of “waste-free cities”. Previous efforts in conversion of biomass or organic solid waste (OSW) often focused primarily on specific target bioproducts, but they often overlooked the potential of valorization of the byproducts generated during the biomass/OSW conversion process. In this talk, we will cover three recent research projects which are related to the development of innovative biorefinery approach for conversion of FY & YW into multiple high value-added bioproducts, namely biobased non-isocyanate polyurethane (NIPU) resin and sustainable aviation fuel. The first part of the talk will focus on utilizing the obtained food waste lipids (FWLs) as a promising feedstock for producing a bioplastic: non-isocyanate polyurethane (NIPU) resin, potentially aiding in the mitigation of plastic pollution. The objective of is to develop a green and novel production pathway of fully bio-based NIPU resins from FWLs with the incorporation of CO2 fixation. The second part of the talk will focus on the fermentative production of 2,3-butandiol (2,3-BDO) using novel bacterial strains OPS2 and subsequently the iso-alkanes SAF components from the cellulose-rich substrate. Our approach includes: (i) developing a bioconversion protocol for high-titre 2,3-BDO production from the yard waste hydrolysate; (ii) constructing a simultaneous saccharification and fermentation (SSF) process using an in-situ fibrous bed bioreactor (isFBB) technique to convert biomass-derived hemicellulose and glucose into 2,3-BDO, aiming to achieve a total yield of over 70%; (iii) upgrading 2,3-BDO into olefin intermediates and then into iso-alkane SAF precursors. The last part of the talk will introduce a recent project on co-hydrothermal liquefaction of microalgae biomass and food waste remaining solids. In this study, food waste hydrolysis was conducted using commercial enzymes, and nutrient-rich hydrolysate was used for the mixotrophic cultivation of microalgae Euglena gracilis. The proposed zero-waste production system illustrates promising application in green and sustainable organic waste valorization.

Keywords: Biofuels and chemicals; Microalgae, Polyurethane, Sustainable Aviation Fuel

INNOVATING NATURAL LATEX: FROM SCIENTIFIC FOUNDATIONS TO SUSTAINABLE INDUSTRIAL APPLICATIONS

Jitladda Sakdapipanich¹*

^aRubber Research Group, Department of Chemistry, Faculty of Science,

Mahidol University, Nakhon Pathom 73170, Thailand.

*Corresponding author: jitladda.sak@mahidol.ac.th

Abstract

Natural rubber (NR) latex, derived from Hevea brasiliensis, is a critical biomaterial widely utilized in medical, industrial, and consumer applications due to its exceptional elasticity, barrier properties, and biodegradability. However, challenges such as allergenic proteins, batch variability, and environmental sustainability have necessitated extensive research to enhance its usability and industrial performance.

This presentation will delve into recent advancements in latex purification techniques, including deproteinization and saponification, which effectively remove allergenic proteins while maintaining the material’s superior mechanical properties. The discussion will also explore novel strategies in latex stabilization and compounding, which address issues related to protein-induced hypersensitivity reactions and processing inconsistencies. Additionally, the lecture will highlight the role of NR latex in sustainable manufacturing, focusing on green processing technologies, life-cycle assessment, and its alignment with global sustainability frameworks such as the United Nations Sustainable Development Goals (SDGs).

This lecture will integrate polymer science, material engineering, and industrial applications to provide a comprehensive perspective on the transition of NR latex from a conventional raw material to a high-value, sustainable resource. The insights presented will be crucial for researchers, industry professionals, and policymakers striving to balance performance optimization with environmental responsibility in NR latex-based product development.

Keywords: Natural Rubber, Latex Purification, Allergen Reduction, Sustainable Manufacturing

ADVANCEMENTS, MODIFICATIONS, AND TRENDS IN NATURAL RUBBER CHEMISTRY: FROM MOLECULAR INNOVATIONS TO PRACTICAL APPLICATIONS

Seng Neon Gan

Chemistry Department, University of Malaya

Corresponding author: sngan@um.edu.my

Abstract

Natural rubber, a cis-1,4-polyisoprene biopolymer, has evolved from its ancient Mesoamerican roots into a cornerstone of modern industry¹. The breakthrough of vulcanization reactions had converted NR into a durable material that fuelled the Industrial Revolution. Dry NR is produced by coagulating latex with acid. Major dry rubber products include tyres, belts, hoses and seals. Latex can be preserved for direct manufacturing². Key latex products include dipped goods, foams, coatings, carpet backing, and elastic threads. Chemical modifications of NR had led to changes in properties suitable for new applications³. Degradation of the NR could produce liquid rubbers of lower molecular weight and with reactive terminals⁴, for adhesive and blending with other materials. The 20th century saw strong competition from synthetic polymers, yet NR retained its dominance in critical applications. In the 21st century, scientists have placed more efforts on environmental protections and energy saving techniques that included developing biodegradable composites, and compounds with less toxic accelerators and additives. A notable example is the replacement of carcinogenic aromatic oil in tyre manufacturing with palm oil-based polyester⁵. Another example is the used of silica from rice husk to replace carbon black⁶ as filler. In recent years, rubber glove industry has accounted for more than 50% of NR latex usage. There are two major challenges: (i) protein allergy and (ii) donning problem. One of reported approach to the first problem is by carrying out emulsion polymerization of diethylaminomethyl methacrylate (DMAEMA) in latex, which results in the grafting of poly(DMAEMA) onto the latex particles, and displacing the allergenic protein⁷. The second problem is due to the surface tackiness of rubber. Several methods have been reported, these include the use of powder, flocking, chlorination, and polymer coating⁸. Through continuous molecular innovations, NR remains indispensable, adapting to global challenges while expanding its application frontier.  

References

1.   Hurley, P. E. History of natural rubber. Journal of Macromolecular Science. 1981. 15(7), 1279-1287.

2.   Edited by Anil K. Bhowmick et.al., Rubber Products Manufacturing Technology, 2018, Marcel Dekker,Inc., New York-Basel.

3.   Phinyocheep P, Chemistry, Manufacture and Applications of Natural Rubber, 2014, Pages 68-118

4.   Rooshenass P, Yahya R, Gan S N, Journal of Polymers and the Environment, 2018, 26, 1378-1392

5.   Hattori T, Terakawa T.K., Ichikawa N., Sakaki T., Gan S N and Lee S Y, 2012, United States Patent, US 8,100,157,B2

6.   Bakar, R.A., Yahya, R., Gan, S.N., Rubber Chemistry and Technology, 2016, 89 (3), pp. 465-476

7.   Gananthan V , Lai P F , S.N.Gan , and Gilbert R G, 2010, Malaysia Patent, MY-142012-A

8.    Gi I C Gan S N, Ang D T C, Journal of Industrial and Engineering Chemistry,2024, 132, 496-506

ADVANCED FUNCTIONAL NANOCOMPOSITES OF NATURAL RUBBER AND SYNTHETIC POLYMERS: BRIDGING PERFORMANCE AND SUSTAINABILITY

R Daik*, CY Lee, S Bidol, S Adnan, AA Shamsuri, HH Abd-Razak, HG Abdullah, I Abdullah, MH Jumali, I Ahmad

Faculty of Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor,

^*Corresponding author: rusli.daik@ukm.edu.my

Abstract

The research focuses on nanocomposites of natural rubber (NR) and synthetic polymers, aiming to enhance their mechanical, thermal, and electrical properties while promoting sustainability. Liquid natural rubber (LNR) emulsions with molecular weights of 10,000 and 50,000 g/mol were prepared using sodium dodecyl sulphate (SDS) as an emulsifier. Emulsion droplet sizes were greater for LNR with higher molecular weight. LNR emulsions with lower molecular weight were more stable, requiring less emulsifier. Low-density polyethylene (LDPE)/LNR with compositions of 100LDPE/0LNR - 40LDPE/60LNR were created by mixing LDPE and LNR emulsions. The 60LDPE/40LNR composition provided optimal stress and strain values. Differential scanning calorimetry confirmed homogeneity in the blends with a consistent glass transition temperature. High-density polyethylene (HDPE)/LNR composites with modified montmorillonite (OMMT) were produced in compositions of 97/3 - 85/15, with 3% and 5% OMMT content. Thermal stability, tensile and impact strength improved with the addition of OMMT. X-ray diffraction and transmission electron microscopy revealed exfoliated structures at lower LNR content and mixed exfoliated-intercalated structures at higher LNR content. Nylon-6/LNR blends, with 2-10% OMMT, achieved improved tensile strength, hardness, and impact resistance at an optimal 85/15 ratio. Polycarbonate PC/LNR/OMMT nanocomposites with 2-10% OMMT exhibited increased thermal stability. Nanocomposites of polypyrrole (PPy) nanoparticles (11.91-36.25 wt%) in NR/polystyrene (PS) matrix demonstrated conductivities from 1.77×10^-8 - 1.07×10^-4 S/cm. Tensile strength (6.9-12.85 MPa) and Young’s modulus (535-1279 MPa) improved with increasing PPy content. The research highlights how the incorporation of nanomaterials can tailor properties of natural rubber, aligning with industrial sustainability goals.

Keywords: Emulsion blending, low temperature processing, thermal conductivity, heat dissipation

References

1.   Ghalib, H., Abdullah, I. & Daik, R., Electrically Conductive Polystyrene/Polypyrrole Nanocomposites Prepared via Emulsion Polymerization. Polymer-Plastics Technology and Engineering. 2023, 52: 478–484

2.   Ghalib, H., Abdullah, I. & Daik, R., Synthesis of polypyrrole nanoparticles in natural rubber–polystyrene blend via emulsion polymerization. Journal of Applied Polymer Science, 2012, 123:2115-2121

3.   Ahmad Adlie Shamsuri, Rusli Daik, Ishak Ahmad & Mohd Hafizuddin Jumali, Nylon-6/liquid natural rubber blends prepared via emulsion dispersion, Journal of Polymer Research, 2009, 16,381-387

4.   Ahmad Adlie Shamsuri, Rusli Daik, Ishak Ahmad and Mohd Hafizuddin Jumali, Properties And Preparation Of Nylon-6/Liquid Natural Rubber/Montmorillonite Nanocomposites Via Emulsion Dispersion, World Journal of Engineering, 2009, 6, 915-918.

5.   Rusli Daik & Yee Lee Ching, Penyediaan Adunan LDPE/LNR Melalui Penyebaran Emulsi, Jurnal Sains Malaysiana, 2007, 36(2), 185-190.

6.   Rusli Daik &, Shahinas Bidol & Ibrahim Abdullah, Effect of molecular weight on the droplet size and rheological properties of liquid natural rubber emulsion, Malaysian Polymer Journal, 2007, 2, 29-38.

ALGINATE-BASED MICROSPHERES FOR ENCAPSULATION OF PANCREATIC ISLETS IN DIABETES TREATMENT

Igor Lacík^a,*

^aPolymer Institute of the Slovak Academy of Sciences, Bratislava, Slovakia

^*Corresponding author: igor.lacik@savba.sk

Abstract

Currently available insulins, glucose sensing and insulin administration technologies offer increasingly accurate control of blood glucose levels in diabetes treatment. However, a significant number of diabetic patients are unable to maintain physiological glucose levels that results in health complications [1]. For such group of patients, the transplantation of functional pancreatic islets represents a solution [2]. In the case of allogeneic transplants, immunosuppression is necessary to protect the islets from the body's immune reaction.

The objective of this work is to develop polymeric microspheres that are suitable for long-term immunoprotection of transplanted islets. At the same time, microspheres ensure the long-term survival and functioning of the islets, i.e., insulin production based on the immediate glucose levels. Alginate-based microspheres have been proposed as a suitable encapsulation material and tested in animal models as well as in clinical trials [3]. These microspheres are stabilized either by divalent cations or by polyelectrolyte complexation, or both.

The encapsulation community strives for recognizing the factors that are important for the survival and function of encapsulated islets in animal models with the vision of clinical trials. In this contribution, the factors important for biocompatibility and stability in designing alginate microbeads [4] as well as multicomponent alginate-based polyelectrolyte microcapsules [5] will be discussed from synthesis and characterization of polymers, process of encapsulation, physical, chemical, and biological characterization of microspheres, to animal experiments.

The significance of working on this topic is the clinical option affording the control of the blood glucose levels by transplanted islets without the need for immunosuppression. Such principle can be used for immunoprotection of transplanted cells also in other cell therapies.

Keywords: diabetes treatment, transplantation of encapsulated islets, alginate, microspheres, polyelectrolytes

Acknowledgment. This work was supported by Slovak research and development agency under contract numbers APVV-18-0480 and APVV-22-0565, and by an international collaboration within The Chicago Diabetes Project, supported by the Washington Square Health Foundation.

References

1. Latres et al. Cell Metabolism 2019, 29, 545-63

2. Marfil-Garza et al. Lancet Diabetes Endocrinol. 2022, 10, 519-32

3. Kioulaphides and Garcia, Adv Drug Deliv Rev. 2024, 207, 115205

4. Bochenek et al. Nat. Biomed. Eng. 2018, 2, 810−821

5. Dorchei et al. Biomaterials 2024, 25, 4118−4138 

FUNCTIONAL POLYMERS: FROM NEW SYNTHETIC ROUTES TO APPLICATIONS IN ENERGY STORAGE

Patrick Théato^a,b*, 

^aInstitute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT),

Engesser Str. 18, D-76131 Karlsruhe, Germany.

^bSoft Matter Synthesis Laboratory, Institute for Biological Interfaces III, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen, Germany.

^*Corresponding author: patrick.theato@kit.edu

Abstract

Functional polymers are based on certain chemical functional groups. As such, the inspiration from organic chemistry has always been fruitful to the development of new synthetic routes to functional polymers. Further, the thrive for structure-property relationships in polymer materials requires a precise control of polymer structures. As such, two different aspects will be discussed:

Poly(ethylene oxide) PEO is a readily investigated polymer in numerous applications. One of them being its utilization as an electrolyte for solid-state batteries. However, not much is known on structural variants of PEO about the utilization as polymer electrolytes. Herein, we present the synthesis of some novel PEO-based polymer architectures and their utilization as polymer electrolytes.

Sulfur and particular functional groups derived from sulfur have been major players in this area of exciting research and further have been utilized for the design and preparation of polymeric materials that lead to a plethora of applications. Sulfur as a side product of natural gas and oil refining is an underused resource. Converting landfilled sulfur waste into materials merges the ecological imperative of resource efficiency with economic considerations. A strategy to convert sulfur into polymeric materials is the inverse vulcanization reaction of sulfur with alkenes. However, the materials formed are of limited applicability, because they need to be cured at high temperatures (>130 °C) for many hours. Herein, we discuss the reaction of elemental sulfur with vinyl alkoxysilanes to enable a control of materials properties. Also, post-polymerization modifications of such inverse vulcanized polymers will be discussed.

Keywords: Energy Storage, PEO polymer, inverse vulcanization, post-polymerization modification, flow chemistry

References

1.   A.J. Butzelaar, P. Röring, M. Hoffmann, J. Atik, E. Paillard, M. Wilhelm, M. Winter, G. Brunklaus, P. Theato “Advanced Block Copolymer Design for Polymer Electrolytes: Prospects of Microphase Separation” Macromolecules 2021, 54 (23), 11101-11112. https://doi.org/10.1021/acs.macromol.1c02147

2.   A.P: Grimm, M. Plank, A. Stihl, C.W. Schmitt, D. Voll, F.H. Schacher, J. Lahann, P. Théato „Inverse Vulcanization of Activated Norbornenyl Esters—A Versatile Platform for Functional Sulfur Polymers“ Angew. Chem. Int. Ed. 2024, 63, e202411010. https://doi.org/10.1002/anie.202411010

DIRECT OBSERVATION OF BOTH FORMATION AND DEGRADATION OF RUBBERS BY ELECTRON SPIN RESONANCE (ESR)

Atsushi Kajiwara

Nara University of Education, JAPAN, kajiwara@cc.nara-edu.ac.jp

Abstract

Whether plastics or rubber materials, interest has focused on the chemistry of the starting materials and products. Many of these materials are produced by radical polymerization. In recent years, the sensitivity of electron spin resonance (ESR) spectroscopy has improved, making it possible to directly observe radicals, the active species in the course of a reaction, by ESR, which could not be observed before¹⁾. In combination with pulsed lasers, it has also become possible to observe the very early stages of reactions. The direct observation of radicals provides direct experimental evidence of the reaction process, which previously could only be inferred²⁾. An example is shown in Figure 1. This is the result of ESR observation of the radical polymerization of isoprene. The time-resolved ESR method shows that the initial stages of polymerization can be observed in the high-resolution spectrum of isoprene propagating radicals in steady-state ESR. Since isoprene is an asymmetric diene, the analysis of the spectrum provides information on the direction of radical addition and the detailed structure of the propagating radicals formed. 1,3-Butadiene and Isoprene are important raw materials for synthetic rubber. Their polymerization reactions can be studied in detail by ESR. Copolymers of butadiene with styrene or acrylonitrile are also important synthetic rubbers, and their copolymerization reactions can also be studied by ESR. Not only the reaction, but also the physicochemical properties of the resulting rubber material can be observed by ESR. When rubbers are artificially stretched, the covalent bonds of the constituent polymers are broken, and radicals are generated. These radicals can be observed by ESR. Since pyrolysis and photolysis of rubber materials also break covalent bonds in both cases, the radicals produced by the breakage can be observed and the details of the decomposition reaction can be determined. 

Figure 1 Time-resolved ESR and steady-state ESR observation of radical polymerization of isoprene. Both chain initiating and propagating radicals can be observed in the same polymerization system. 

References:

1.     Kamachi, M., Kajiwara, A., Macromolecules 1996, 29, 2378, 2) Kajiwara, A., Pure & Appl. Chem., 2018, 90, 1237. 

TOWARD 3-DIMENSIONAL ORGANIC MIXED IONIC-ELECTRONIC CONDUCTOR STRUCTURES

Myung-Han Yoon^a*

^aDepartment of Materials Science and Engineering, Gwangju Institute of Science and Technology (GIST), Republic of Korea

^*Corresponding author: mhyoon@gist.ac.kr

Abstract

In this research, we report organic bioelectronic interfaces based on highly crystalline organic mixed ionic-electronic conductors (OMIECs) to overcome the trade-off between electrical/electrochemical performance and long-term stability in water. First, by introducing sulfuric acid treatment, we crystallized poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) films which exhibit excellent electrical/electrochemical/optical properties, long-term aqueous stability, and good biocompatibility for primarily cultured cardiomyocytes and neurons over several weeks. Furthermore, they are successfully employed for high-performance multi-electrode arrays to record and stimulate the electrophysiological activities of primarily cultured cardiomyocytes and chicken retinae tissues. Next, crystalline PEDOT:PSS microfibers and their self-fusion process are developed for single-strand wearable electrochemical transistors and 3D microfibrillar network-based bioelectronic interfaces. Finally, direct crystallization of PEDOT:PSS on plastic substrates, carbon nanotube yarn/PEDOT:PSS core-shell fibers for energy storage devices, PEDOT:PSS/Pt nanoparticles composite materials for electrocatalysis and gas separation, and PEDOT:PSS/clay composite-based biodegradable/sustainable electronics are briefly discussed.

Keywords: organic mixed ionic-electronic conductors, PEDOT:PSS, bioelectronics

References

1.   Kim, S.-M; Kim, C.-H.; Kim, Y.; Kim, N.; Lee, W.-J.; Lee, E.-H.; Kim, D.; Park, S.; Lee, K.; Rivnay, J.; Yoon, M.-H* Nature Comm. 2018, 9, 3858.

2.   Kim, S.-M.; Kim, N.; Kim, Y.; Baik, M.-D.; Yoo, M.; Kim, D.; Lee, W.-J.; Kang, D.-H.; Kim, S.; Lee, K.*; Yoon, M.-H.* NPG Asia Mater. 2018, 10, 255.

3.   Kim, Y.; Noh, H.; Paulsen, B. D.; Kim, J.; Jo, I.-Y.; Ahn, H.*; Rivnay, J.*; Yoon, M.-H.* Adv. Mater. 2021, 33, 2007550.

4.   Huang, M.; Lee, S.; Jo, I.-Y.; Park, H.; Shim, B. S.*; Yoon, M.-H.* Carbohydrate Polym. 2024, 324, 121559.

5.   Saini, N.; Lee, D.-Y.; Yoon, M.-H.*; Awasthi, K.* ACS Appl. Mater. Interfaces. 2024, 16, 7700.

ADVANCES IN REFERENCE MATERIAL DEVELOPMENT FOR FOOD SAFETY AND NUTRITION ANALYSIS IN CHINA

Hongmei LI, Fuhai SU, Qi WEI

Key Laboratory of Chemical Metrology and Applications on Nutrition and Health for State Market Regulation, Division of Chemical Metrology and Analytical Science, National Institute of Metrology, Beijing 100029, China

Abstract

Forensic science is a science that uses the principles and methods of natural science and social science to solve special problems in litigation, and plays an irreplaceable role in finding out the facts of the case, revealing and confirming the fight against crime and litigation trial. The role of chemical metrology in forensic science: chemical metrology is a discipline that studies chemical measurements and their applications, aiming to ensure the accuracy, reliability, and effectiveness of chemical measurements. In the field of forensic science, the introduction of chemical metrology has provided more scientific basis and means for accurate sentencing and judicial justice. The chemical metrology techniques commonly used in forensic science. Chemical metrology mainly consists of three core elements: device, material and method. The primary device, primary method and primary reference material of the chemical metrology source are a trinity to ensure the traceability of chemical measurement, so that the actual measurement value can be traced to the source of chemical metrology through the uninterrupted traceability chain, and then traced to the international SI unit, and maintain the consistency and accuracy of the global quantity value. Among them, the reference material is the main carrier of quantity traceability and transmission, which is in the core and key position, mainly used for calibration, quality control, measurement method and result evaluation, and determination of characteristic quantity value. A lot of work in chemical metrology revolves around the research and development of reference materials and the application of related technologies. Mass balance method and quantitative nuclear magnetic method are commonly used to determine the purity of reference materials. Mass balance is used to analyze impurities by applying a variety of analytical techniques, subtracting the detectable impurity content from the original sample with a mass fraction of 100% to obtain the purity of the principal component (mass fraction). Quantitative nuclear magnetic resonance (qNMR) is a direct analytical method for the determination of organic compounds, which does not require the qualitative and quantitative characterization of impurities except for structure-related impurities. It has the advantage because of high accuracy method as potential primary method. The matrix reference material was determined by LC-ID-MS/MS and GC-IDMS. Application development of chemical metrology technology in forensic science: National Institute of Metrology (NIM) to study and establish the traceability system of National Forensic Science and chemical measurement of drug ingredients, to carry out the research on the detection methods of complex matrix and the characterization and detection methods of related drug ingredients, to develop the certified reference materials of effective ingredients of forensic science and related drugs, and to undertake the relevant international comparison, capability verification, etc.. The high accuracy reference material internationally recognized is applied to the detection of net drug content in drug-related cases, which reduces the uncertainty of detection, reduces the probability of inaccurate sentencing, and highlights judicial justice. NIM has developed 73 drug reference material, covering opiates, amphetamines, benzodiazepines, ketamines and cocaine-based drugs that are urgently needed in the field of forensic science. The NIM and the Shanghai Academy of Criminal Science and Technology worked together to develop the fentanyl reference material. The developed fentanyl reference materials are expected to be applied in forensic drug abuse detection and laboratory quality control. In the 2008 Beijing Olympic Games, the NIM developed 34 kinds of illegal drugs in Olympic food, such as methandrosterone, clenbuterol, prednisone and other urgently needed reference material, for the Olympic animal food doping detection, improve the chemical measurement urgently needed traceability system, improve the detection ability and level of illegal drugs. To ensure the accuracy, effectiveness, reliability and mutual recognition of quantity value provides important technical support and necessary quantity traceability conditions. In the 2015 Beijing Track and Field World Championships, the NIM and the Beijing Food Safety Monitoring and Risk Assessment Center jointly carried out quality control technology research and the ability evaluation of the testing laboratory, improved the quality of doping detection of food for athletes, and provided strong technical support to avoid positive urine tests caused by eating meat. In the field of international comparison, in 2012, the NIM participated APMP QM-P20, IIicit Drugs in Human Hair, and give the good result. The development of high accuracy measurement methods, international mutual recognition, standard substances and measurement quality control in the field of forensic science provide effective support and guarantee for the scientific work of the court. 

COMBINED ANALYTICAL METHODES FOR THE STRUCTURAL CHARACTERIZATION OF ISOMERS MIXTURES

Aura TINTARU

Aix-Marseille University, CNRS, CINaM – UMR7325, Marseille - FRANCE.

Corresponding author: aura.tintaru@univ-amu.fr

Abstract

For several years now, essential oils (EOs) have been attracting growing interest from the public, who invest lavishly in skincare products with exceptional properties. Obtained from aromatic, perfumed and medicinal plants, these complex mixtures made up of dozens of molecules offer a wide range of applications in cosmetics, food processing, aromatherapy, perfumery, medicine, etc. [1, 2] To explore at maximum their beneficial properties, we need to know their chemical, physico-chemical and biological characteristics, and identify the hazards associated with the production, marketing and use of these high added-value products. It has become essential to have a reliable and rigorous analytical sequence capable of gathering the new demands of consumers in terms of quality and safety. Therefore, for reliable characterization of natural mixtures, each of the constituent products must be described in terms of its concentration, structure and, where appropriate, stereochemistry. Moreover, enantiomer-specific identification of chiral molecules in natural extracts is a challenging task, as many routine analytical techniques fail to provide selectivity in multi-component mixtures and/or lack sensitivity for dilute samples. Hence, the most challenging issue remains isomers identification and characterization. To do this, combined analytical strategies are used to provide the most detailed possible composition of each studied sample. Today, in addition to the analytical methods traditionally used (GC-MS, LC-MS, SPE, NMR), more modern techniques are being used (ESI-MS, tandem mass spectrometry, ion mobility coupled with mass spectrometry). In this context, through some practical examples this presentation will illustrate alternative approaches, based on the combination of NMR, ion mobility-mass spectrometry (IM-MS) and quantum chemistry (QM), for the direct isomers’ differentiation in crude essential oils and other complex samples. [3, 4]

Keywords: Essential oils, isomers, Mass Spectrometry, Ion mobility, NMR

References

1.   Başer, K. H. C.; Buchbauer, G., Handbook of essential oils: science, technology, and applications. Second edition. ed.; CRC Press, Taylor & Francis Group: Boca Raton, FL, USA

2.   Russo, R.; Corasaniti, M. T.; Bagetta, G.; Morrone, L. A.,

Evid Based Complement Alternat Med 2015, 397821

3.   Tintaru A, Muselli A, J. Agric. Food Chem. 2025, 73, 5102−5115

4.   Spano M, Andreani S, Naubron J-V, Mannina M, Pricl S, Muselli A, Tintaru A Analytical and Bioanalytical Chemistry 2022, 414, 6695-6705.

USE OF UNCONVENTIONAL SOLVENTS, GREENER APPROACHES TO SAMPLE PREPARATION IN ENVIRONMENTAL ANALYSIS AND CURRENT CHALLENGES

Slavica Ražić^a,* , Jelena Arsenijevića, Tatjana Trtić-Petrović^b

^aFaculty of Pharmacy, University of Belgrade

^bVinča Institute of Nuclear Sciences, University of Belgrade

*Corresponding author: slavica.razic@pharmacy.bg.ac.rs

Abstract

The development of a new generation of environmentally friendly solvents is based on a priori knowledge and experience. The achievements of the last decade will provide new perspectives and ideas for solving problems with different environmental samples. Sample preparation is still considered a bottleneck of the entire analytical process and cannot be completely avoided. The second environmentally friendly option after the “no solvent” scenario is the use of water, the safest and most abundant molecule on the earth’s surface, which is ecologically safe and non-toxic. By carefully tuning temperature and pressure, its physicochemical properties change significantly, increasing its solvent potential and selectivity for extracting compounds in a wide polarity range. Supercritical fluids (SCF) and especially CO₂ are attractive unconventional solvents with excellent solvent properties and an alternative to replace hazardous organic solvents. Due to their lower cost, reusability and environmental friendliness, both water and carbon dioxide are a good choice for sample preparation of environmental matrices. Conventional solvents are still used in laboratory practice but are increasingly being replaced by environmentally friendly solvents. Remarkable progress has been made in the field of ionic liquids (ILs) and deep eutectic solvents (DESs), also known as designer solvents. The numerous applications of ILs, DESs, SCW and SCFs as greener alternatives to conventional organic solvents in various environmental matrices offer a variety of solutions while challenging numerous environmental problems. One of the biggest challenges for the future will be to find a compromise between the increasing demands on the quality of the results (accuracy, LOD, reproducibility,...) and the improvement of environmental friendliness. There is no doubt that by implementing the principles of green (analytical) chemistry, we have paved the way for sustainable chemistry and the future in general.^{1, 2}

Keywords: green chemistry, ionic liquids (IL), deep eutectic solvents (DES), supercritical fluids (SCF), subcritical water (SCW)

References

1.   Ražić, S.; Arsenijević, J.; Đogo Mračević, S.; Mušović, J.; Trtić-Petrović, T. Analyst, 2023, 148, 3130.

2.   Ražić, S.; Arsenijević, J.; Trtić-Petrović, T.; Meng, Y.; Anderson, J.L. Use of Unconventional Solvents for Sample Preparation in Environmental Analysis in Comprehensive Sampling and Sample Preparation, 2^nd Ed., Elsevier, 2024. , https://doi.org/10.1016/B978-0-12-381373-2.00123-X .

MULTIDIMENSIONAL GAS CHROMATOGRAPHY-MASS SPECTROMETRY FOR THE ELUCIDATION OF COMBUSTION RELATED ORGANIC AIR POLLUTANTS

Patricia Forbes^a* and Genna-Leigh Geldenhuys^a,b

^aDepartment of Chemistry, University of Pretoria, Pretoria, South Africa.

^bMarine and Coastal Ecosystems Centre, Cyprus Marine and Maritime Institute, Larnaca, Cyprus.

*Corresponding author: patricia.forbes@up.ac.za

Abstract

Air quality has a direct impact on human health, with air pollution being the second largest mortality risk factor in 2021 accounting for 8.1 million deaths worldwide [1]. Combustion is a known source of organic air pollutants, including polycyclic aromatic hydrocarbons (PAHs), many of which may negatively impact human health with particular reference to respiratory disease. Combustion emission sources include biomass burning and diesel engine combustion. A robust analytical methodology is required to determine the impact of these activities on air quality. Multidimensional gas chromatography-mass spectrometry (GCxGC-MS) is an indispensable tool in this regard, as the enhanced separation which it provides enables correct peak identification and quantification. The results of studies are presented which aimed to assess potential improvements in air quality upon implementation of combustion-related interventions. The first involved replacement of diesel with biodiesel in fueling vehicles, which was tested under controlled laboratory conditions and then in an underground platinum mine. Sampling of gaseous semi-volatile organic compound (SVOC) emissions onto portable multichannel polydimethylsiloxane (PDMS) traps was conducted, followed by thermal desorption (TD)-GCxGC-MS analysis. A reduction in total gas phase PAH concentrations from 34 to 9 µg m–3 was achieved when substituting diesel with biodiesel under high idle heavy-duty engine conditions in the underground mine [2]. Another study focused on the removal of unwanted sugar cane biomass prior to harvest, which is currently achieved by combustion in South Africa. Simultaneous sampling of gas and particle bound SVOCs before and after burn events was conducted using portable PDMS trap-based denuders. Total PAH concentrations (gas + particle phase) ranged from 0.05 to 9.85 µg m–3 per burn event [3]. Over 85% of all PAHs were found to exist in the gas phase, causing the majority of variance between the burn sites which could be linked to the crop variety. The results of these studies highlight the importance of the comprehensive analysis of organic pollutant emissions in order to assess improvement interventions and inform effective management, thereby minimizing environmental and human health impacts.

Keywords: multidimensional gas chromatography-mass spectrometry, thermal desorption, semivolatile organic compound, polycyclic aromatic hydrocarbon, air pollution

References

1.     Global Burden of Disease Collaborative Network, Global Burden of Disease Study 2021 Results, 2022, Institute for Health Metrics and Evaluation.

2.     Geldenhuys, G.; Wattrus, M.; Fox, M.; Forbes, P.B.C. Renew. Energy Focus. 2023, 47, 100500.

3.     Geldenhuys, G.; Orasche, J.; Jakobi, G.; Zimmermann, R.; Forbes, P.B.C. ET&C. 2023, 42(4), 778-792.

PLASMONIC SINGLE-MOLECULE AFFINITY DETECTION AT 10 ZEPTOMOLAR

Luisa Torsi

Dipartimento di Chimica – Università degli studi di Bari

Abstract

DNA can be amplified efficiently through replication, enabling the detection of a single target copy. In contrast, achieving similar sensitivity for protein detection in immunoassays remains an unresolved challenge. Surface plasmon resonance (SPR) is a well-established method for performing assays, typically achieving detection thresholds at concentrations around 10⁻⁹ molar.

This study demonstrates plasmonic single-molecule assays for both proteins and DNA, reaching detection limits (LODs) as low as 10⁻²⁰ molar (1 ± 1 molecule in 0.1 mL) within 1 hour, even in complex samples like human serum. This represents an extraordinary eleven-order-of-magnitude improvement over standard SPR detection limits.

The enhanced sensitivity is achieved using a millimeter-scale surface coated with a physisorbed biolayer. This biolayer, containing trillions of recognition elements such as antibodies or protein-probe complexes, undergoes pH-conditioning in either acidic or alkaline environments. Investigations using potentiometric and surface-probing imaging reveal a previously unrecognized amplification mechanism responsible for this exceptional performance.

The findings suggest that pH-conditioning induces a metastable state in the biolayer, which facilitates a self-propagating aggregation of partially misfolded proteins upon single-affinity binding. This aggregation results in significant electrostatic rearrangement, corresponding to a displacement of approximately 1.5e per 10² recognition elements.

These insights pave the way for ultrasensitive SPR-based biosensing technologies capable of operating at the physical limits of detection. Such advancements hold great promise for the development of nextgeneration plasmonic systems tailored for point-of-care diagnostics.

Keywords: plasmonic sensors; single‐molecule sensing; single‐molecule with a large transistor (SiMoT); surface probing techniques; surface‐plasmon‐resonance.

References

1.   Macchia, E.; Di Franco C.; […] Scamarcio, G.* and Torsi, L* Advanced Materials 2025, Jan 23:e2418610. doi: 10.1002/adma.202418610

ANALYTICAL CHEMISTRY IN COURTS OF LAW

D Brynn Hibbert^a*

^aSchool of Chemistry, UNSW Sydney, Sydney NSW 2052 Australia.

Corresponding author: b.hibbert@unsw.edu.au

Abstract

Although the law professes to demand surety in its determinations – ‘beyond reasonable doubt’, etc. courts are remarkably ignorant of how science works to provide that surety and have a deep distrust of statistics. The concept of ‘reliability’ of expert evidence is a hot topic in forensic science [1]. Although high profile cases have often been concerned with soft sciences, such as shoe prints, bite marks, or identification of recorded voices, DNA analysis still remains in contention for the most probed analytical technique, and the identification of drugs also poses problems. Accreditation, usually to ISO/IEC 17025:2017[2] is key to establishing the authority of a laboratory to identify, for example, a white powder found in possession of a suspect. Most official forensic laboratories (police, state, sports organizations) are obliged to be accredited, but when amateur scientists (forensic amateurs, often from good universities) become involved things can be very tricky. In a case during COVID [3], lead isotope analysis of bullets in a body that matched those in a box of bullets owned by a friend of the accused looked very sound until it was pointed out there was no validation. The prosecution case also fell foul of the likelihood of another box of bullets being sold at the same time. In a more recent case, a court had to evaluate the difference between a presumptive and a confirmatory test. Benzyl cyanide had been intercepted at an Australian border and tested with hand-held infrared and Raman devices. The spectra were excellent, but the court ruled that without a sample being confirmed in a laboratory the match could not be sustained. Chemists should engage with the law. It is difficult, courts really do not speak the same language, but lawyers and judges are intelligent and can be taught – by the right people.

Keywords: forensic science, analytical chemistry, isotope analysis, infrared, Raman 

References

1. Edmond G, Martire K, Found B, Kemp R, Hamer D, Hibbert B, et al. How to cross-examine forensic scientists: A guide for lawyers. Australian Bar Review. 2014; 39: 174

2. International Organization for Standardization. ISO/IEC 17025:2017. General requirements for the competence of calibration and testing laboratories ISO/IEC: Geneva; 2017.

3. Supreme Court of Queensland. Pentland v The Queen [2020] QSCPR 10, Brisbane, Qld; 2020, pp. 29.

ACCELERATED REACTIONS IN MICRODROPLETS: MECHANISMS AND APPLICATIONS IN ORGANIC SYNTHESIS AND DRUG DISCOVERY

Cooks, R. Graham, Morato, N. M.

Purdue University, W. Lafayette, Indiana, USA

*Corresponding author: cooks@purdue.edu

Abstract

The phenomenon of accelerated chemical reactions in microdroplets (rate constants increased by up to a million-fold relative to bulk) is introduced and its history is sketched.[1] The key role of the air/solution interface is demonstrated and the range of accessible chemistry is shown. The aim is to understand and utilize accelerated microdroplet chemistry. Microdroplets are generated by spray methods, including desorption electrospray ionization. The factors that drive acceleration are partial solvation and high interfacial electric fields. Acceleration occurs in organic as well as aqueous microdroplets where super-acid and super-base species drive these reactions.[2] Most important is the water radical cation H₂O⁺. and its monohydrate ( H₂O⁺.. H₂O, especially the isomer HO.… H₃O⁺) which drives redox as well as acid/base chemistry. Redox reactions on sulfones, phosphonates and ketones will be noted as will condensation reactions leading to biopolymers (e.g. peptides) and to heterocyclic systems. A role for these catalyst free reactions in prebiotic chemistry is argued. Scale up of accelerated reactions (to g/hr levels) will be shown. Accelerated reactions are also performed on reaction mixtures in array format using desorption electrospray ionization (DESI) mass spectrometry.[3] This allows high throughput (HT) reaction screening (analysis of 6,144 reaction mixtures per hour, 5 ng scale). This new HT system is used for small scale synthesis, simply by collecting the sprayed droplets on a 2^nd array. Further extension of the technology is shown in its use in bioassays and as an approach to early stage drug discovery. [3,4]

Keywords: Chemical synthesis; mass spectrometry; interfacial reactions; reactive intermediates; 

References

1. Yan, X; Bain, R.M.; Cooks, R. G. Angew. Chem. Int. Ed. 2016, 55, 12960-72

2. Qiu, L: Cooks, R. G. Angew. Chem. Int. Ed. 2022 61, e2022107

3. Cooks, R. G.; Feng, Y.; Huang, K.-H.; Morato, N. M.; Qiu, L. Isr. J. Chem.2023 e202300034

4. Huang, K.-H.; Morato, N. M.; Feng, Y.; Toney, A.; Cooks, R. G. J. Amer. Chem. Soc. 2024 146 33112–33120 

SHAPING THE FUTURE OF ANALYTICAL SCIENCE: PRECISION, SPEED, AND SUSTAINABILITY

Chee-Sian GAN ^a,*

^a Agilent Technologies Inc.

^* Corresponding author: chee-sian.gan@agilent.com

Abstract

Analytical science is undergoing a profound transformation, driven by the convergence of advanced instrumentation, digital innovation, and interdisciplinary collaboration. As global challenges in healthcare, environmental sustainability, and materials science intensify, the demand for faster, more precise, and more accessible analytical solutions continues to grow. Agilent Technologies is at the forefront of this evolution, delivering state-of-the-art tools that empower scientists to generate high-quality data and actionable insights.

Central to Agilent’s contribution is the InfinityLab LC Series, including the Infinity III HPLC systems, which offer exceptional performance, reliability, and flexibility for a wide range of applications. These systems are designed to support high-throughput workflows with enhanced sensitivity and reproducibility, making them indispensable in pharmaceutical development, food safety, and environmental testing. When integrated with Agilent’s OpenLab software and cloud-based platforms, these instruments enable seamless data acquisition, analysis, and compliance management.

Agilent’s broader portfolio, including LC/MS, GC/MS, ICP/MS, and molecular spectroscopy, continues to evolve with Automation and Intelligence capabilities that streamline complex analyses and reduce time-to-result. These systems are instrumental in addressing emerging environmental concerns such as per- and polyfluoroalkyl substances (PFAS)^1,2. Agilent’s solutions provide the sensitivity and selectivity required for trace-level PFAS detection in complex matrices, supporting regulatory compliance and environmental safety initiatives worldwide.

Sustainability is a guiding principle in Agilent’s innovation strategy, with a focus on reducing solvent use, energy consumption, and laboratory waste. By combining technological excellence with a commitment to sustainability and accessibility, Agilent Technologies is helping to shape a future where analytical science is more agile, inclusive, and impactful than ever before.

Keywords: Sustainability, LC/MS, GC/MS, ICP/MS, HPLC, PFAS, Automation

References

1.   Lim, G.; Wong, A; Z, Y.; Zou, A., Fully Automated Workflow for Volatile PFAS Analysis in Food Contact Materials Using GC-Triple Quadrupole MS, Agilent Technologies Application Note. 2025, 5994-8295EN

2.   Lim, G.; Zou, A., A Fully Automated Workflow for PFAS Analysis in Seafood for Regulatory Screening, Agilent Technologies Application Note. 2025, 5994-8011EN 

TOWARDS AI² ELECTROCHEMISTRY (AI² = AI ´ AB INITIO)

Jun Cheng^a,b,c,*

^aState Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM,

 ^bCollege of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

^cLaboratory of AI for Electrochemistry (AI4EC), IKKEM, Xiamen, China

^*Corresponding author: chengjun@xmu.edu.cn

Abstract

It is known that electrode materials undergo dynamic structural changes at in-situ/in-operando conditions. Yet, the majority of computational studies only consider the static structures of electrode materials. When the materials are submerged in liquid solution, dynamic solvation effects are often completely ignored, or treated with dielectric continuum models, often lacking validation. The situations are about to change. Thanks to the latest development of in-situ experimental techniques and state-of-the-art computational methods, dynamics of electrode materials has recently drawn more and more attentions in many research areas. In this talk, I will present our recent progress on modeling dynamic catalysis and electrochemistry using ab initio molecular dynamics (AIMD). The high computational cost of AIMD however limits its application to small model systems consisting of hundreds of atoms at timescale of tens of ps. While, the latest development of AI accelerated AIMD (AI²MD) significantly increases the size and timescale, showing great promise for in situ modeling of realistic electrochemical systems.

Keywords: electric double layer, dynamic catalysis, machine learning molecular dynamics, electrochemical interfaces

References

1.   J.-B. Le, Q.-Y. Fan, J.-Q. Li, J. Cheng*, Molecular origin of negative component of Helmholtz capacitance at electrified Pt(111)/water interface, Sci. Adv., 2020, 41, eabb1219.

2.   Juan-Juan, Sun, Jun Cheng, Nat. Commun. 2019, 10 (1), 5400.

3.   Fu-Qiang Gong, Yun-Pei Liu, Ye Wang, Weinan E, Zhong-Qun Tian, Jun Cheng, Angew. Chem. Int. Ed. 2024, 63, e202405379.

4.   J.-X. Zhu, J. Cheng, Machine Learning Potential for Electrochemical Interfaces with Hybrid Representation of Dielectric Response, https://doi.org/10.48550/arXiv.2407.17740.

SOLID-STATE NMR SPECTROSCOPY

HOW MISTRUST IN ITS RELIABILITY REVEALED NEW INSIGHTS IN SOIL BIOCHEMICAL PROCESSES

Heike Knicker^a,*

^a Group of Interactions between Soils, Plants and Microorganisms, Instituto de la Grasa (IG-CSIC), Sevilla, Spain

^*Corresponding author: heknicker@ig.csic.es

Abstract

With its introduction in the 1980’s, solid-state NMR spectroscopy opened the door for a non-degradative analysis of soil organic matter (SOM). However, the obtained results were not always supporting well-accepted paradigms. Mistrust about its reliability survived up to our days, although already in its early days, fundamental studies could demonstrate that quantitative solid-state NMR data can be obtained if i) correct acquisition parameters are chosen, ii) the impact of paramagnetic compounds is reduced, and iii) the presence of soot in soils can be excluded. However, if in spite of following those prerequisites, NMR results are still in contrast with the expectations, it is most likely that the latter are wrong and a reassessment of even well-accepted views is required. As NMR spectroscopy has confronted me with this challenge more than once, I made it to the focus of my presentation, allowing me to share with the audience how this technique and its “misconduct” formed my understanding of function and nature of SOM.

One example of such an event occurred during the investigation of the negative impact of paramagnetics on the quantification of NMR spectra. It turned out that carbohydrates are by far more important for organo-mineral interactions in soils than formerly thought. Another example derived from the intention to characterize charred residues by solid-state NMR spectrosocopy. Formerly this was expected to be problematic due to the assumed graphenic nature of charcoal. However, the successful application of this approach to charcoals challenged this well-accepted view. More structural details about the molecular properties of pyrogenic organic matter were then deduced by two dimensional HETeronucleus CORelation 13C (HETCOR). Combined with relaxation time measurements, further information about H-C distances or molecular mobility can be achieved. Thus, applied in soil sciences, this approach offers a powerful tool to relate spatial molecular properties to soil biochemical processes.

 In addition to the mentioned success story, the presentation will give me the opportunity to discuss pros and contras of solid-state NMR spectroscopy for SOM characterization hoping to demonstrate its value not only in soil sciences but also for studying processes in related research fields.

Keywords: Soil organic matter, 1D solid-state NMR, HETCOR, Cross polarization, Soil Biochemistry 

RESEARCH ON ENERGY TRANSITION AND SECURITY BASED ON DIGITAL TECHNOLOGY MODEL FOR CHINA

Peng Wang^a,*, Hai Tao^a

^a Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou, Guangdong, 510640, China.

^*Corresponding author: wangpeng@ms.giec.ac.cn

Abstract

This study is conducted in the context of unprecedented changes in various dimensions of the climate system, focusing on the energy transition and security in China based on digital technology. The research content encompasses several key aspects. Firstly, it examines national strategies for achieving carbon peaking and carbon neutrality, emphasizing this as a major strategic decision made by the Party Central Committee with Xi Jinping at its core¹. Secondly, it explores the rapid development of renewable energy and its role in energy transition and security. This includes the promotion of green development, the harmonious coexistence of man and nature, and the coordination of industrial structural adjustment in response to climate change. In terms of research methods, the study utilizes a variety of approaches. It involves the investigation of energy-related policies and recommendations provided by government think-tanks^2,3. Digital energy technology and low-carbon policies are also analyzed to promote the large-scale application of photovoltaic power generation in the Belt and Road countries^4,5. Furthermore, big data platforms for energy economy in Guangdong Province and intelligent energy systems for industrial parks are examined. This study’s innovation lies in its comprehensive integration of digital technology with energy transition strategies, emphasizing the use of intelligent systems for renewable energy management. It introduces a detailed roadmap for achieving carbon neutrality by 2060, highlighting the role of photovoltaics and energy storage technologies. The document also outlines a dynamic energy supply-demand warning system and a smart energy monitoring platform, showcasing advanced tools for energy efficiency and economic analysis. These aspects demonstrate a forward-thinking approach to addressing climate change through innovative technology applications. The research concludes that China has set ambitious goals for carbon emissions, striving to peak before 2030 and achieve carbon neutrality by 2060. The development of renewable energy, especially photovoltaic power, has been rapid, with China's photovoltaic industry having a strong competitive edge globally. However, there are challenges such as safety standards missing, inefficient operation and maintenance, and grid consumption issues. Based on the findings, several policy suggestions are proposed. It is recommended to build a dual-carbon technology support system from the perspectives of material flow, energy flow, and value flow. The overall assessment of key technologies should consider technical feasibility, economic viability, and environmental impacts throughout their lifecycle. International cooperation should be strengthened to share experiences and promote the application of innovative technologies and policies abroad. Additionally, comprehensive training on photovoltaic technology and low-carbon policies should be conducted for countries along the Belt and Road. In conclusion, this study provides valuable insights into China's energy transition and security strategies based on digital technology. It highlights the importance of renewable energy development, the challenges faced, and the policy measures needed to achieve sustainable development goals.

Keywords: Energy Transition, Carbon Neutrality, Digital Technology, Photovoltaic Power Generation, Belt and Road Initiative

References

1.   Wei, Y.-M.; Chen, K.; Kang, J.-N.; Chen, W.; Wang, X.-Y.; Zhang, X. J. Engineering. 2022, 14, 52–63.

2.   Lv, F.; Wu, Q.; Ren, H.; Zhou, W.; Li, Q. J. Renewable and Sustainable Energy Reviews. 2024, 189, 113899

3.   Li, S.; Kong, W.; Wang, Y.; Yuan, L. J. Energy. 2024, 310, 133017.

4.   Lee, C.-C.; Fang, Y.; Quan, S.; Li, X. J. Energy Econ. 2024, 135, 107654.

5.   Huang, Y.; Guo, H.; Liu, Z.; Liao, C.; Zhao, D. J. Sci Rep. 2024, 14 (1). 

CARBON CAPTURE AND UTILIZATION FOR SUSTAINABLE VALUABLE PRODUCTS [CYCLIC CARBONATES, CARBON NEUTRAL FUEL - JET FUEL (SAF), METHANOL]

Mohd Rafie Bin Johan

Nanotechnology and Catalysis Research Center (NANOCAT), Universiti Malaya

^*Corresponding author: mrafiej@um.edu.my

Abstract

The conversion of CO₂ into high-value chemicals has become a significant research focus, attracting considerable attention from both academia and industry. Among the various CO₂ fixation processes, the catalytic one-pot synthesis of five-membered cyclic carbonates (CCs) through CO₂ incorporation with alkenes offers a greener, more sustainable alternative to traditional methods, such as phosgene-based processes and the cycloaddition of CO₂ with epoxides. The structural versatility of cyclic carbonates enables a wide range of applications, driving considerable efforts to identify efficient and practical catalysts for the oxidative carboxylation of alkenes with CO₂. This approach utilizes abundant, low-cost alkenes, and eliminates the need for separating and purifying intermediates, making it more economical and sustainable. However, despite significant advancements, the harsh reaction conditions—such as high temperatures, elevated pressures, and the use of toxic solvents and co-catalysts—remain obstacles to the industrial scalability of CO₂ valorization processes. In light of the shift towards a "sustainable society" and the promotion of "green chemistry," there is a pressing need to develop efficient chemical processes for the catalytic valorization of CO₂ with alkenes under milder conditions. This work focuses on developing an efficient, environmentally friendly catalytic system for CO₂ valorization with alkenes, leading to the production of cyclic carbonates. The approach emphasizes the integration of a highly active catalyst, selective reaction conditions, and minimal solvent usage, achieving high yields of the desired products in a single reaction step. The reaction mechanism, scope, and various factors influencing the synthesis process are discussed, with an emphasis on scalability and potential industrial applications. This method presents a promising pathway for CO₂ utilization, contributing to the circular economy and reducing reliance on petroleum-based feedstocks for specialty chemicals.

Keywords: CO₂, Catalysis, Alkene, Oxidative carboxylation, Cyclic carbonate, Sustainable chemistry

MATERIALS FOR A SUSTAINABLE ENERGY FUTURE

Professor Joel W. Ager^a

^aAdjunct Professor in the Department of Materials Science & Engineering, University of California Berkeley and Senior Scientist in the Materials and Chemical Sciences Divisions, Lawrence Berkeley National Laboratory

Corresponding author: jwager@berkeley.edu

Abstract

If renewable power sources such as solar and wind could be used to produce chemical precursors and/or fuels, it would provide an alternative to mankind’s accelerating use of fossil fuels and slow the rate of CO₂ emission into the atmosphere [1,2]. Photosynthesis provides a compelling example of light to chemical energy conversion and thus motivates work to make systems which achieve a similar function. Analogous to photovoltaics, driving the thermodynamically uphill redox reactions required for net solar to chemical energy conversion necessitates directional charge transport [3]. Additionally, to convert carbon dioxide to hydrocarbons, one must manage multi-electron transfer reactions (e.g. 12 in the case of ethylene and ethanol) [4]. Recent work in in electrochemical CO₂ reduction (EC-CO₂R) will be discussed. Much of the current experimental research focuses on crafting active sites that will lower the overpotential and improve selectivity to either two-electron products (CO or formate/formic acid) or to specific C₂₊ products such as ethylene or ethanol. The experiments are often guided by DFT calculations of the binding energies and kinetic barriers between intermediate species involved in the individual proton-coupled electron transfer steps. This approach has yield insights into the performance of nanostructured metal catalysts, single-atom catalysts, and immobilized molecular catalysts for EC-CO₂R [5]. However, recent work shows that the EC-CO₂R reaction environment is more diverse and dynamic than can be captured with this approach [6-8]. Moreover, the EC-CO₂R environment is highly dynamic, both at the atomic level driven by adsorbate-mediated surface reconstruction [9] and, in certain cases, at the macro-scale due to non-linear coupling of mass transfer and pressure [10]. Notably, many of these phenomena have analogies in heterogenous thermal catalysis [11], and I will show that adapting classic surface science approaches for use in EC-CO₂R can yield key insights. Further, I will argue that the chemical reaction network of EC-CO₂R can have many of the functionalities found in biological networks such as inhibition/activation, cascades, and substrate channeling/pre-concentration. For this reason, adapting experimental and simulation methods from systems biology, in combination with chemical kinetics measurements, can yield mechanistic insights [12] and, prospectively, a predictive framework for EC-CO₂R. Despite this impressive progress in laboratory-scale CO2 electrolysis, it is not yet directly competitive with existing, petroleum-based production methods. However, integration of CO₂ conversion into existing petrochemical plants is an attractive alternative. On-site CO₂ recycling (CCSR) in ethylene oxide production has a projected economic payback time as short as 1-2 years, depending on the availability of low-cost electricity and the applicable carbon taxes [13]. The CCSR approach is applicable to other large-scale chemical production processes including ammonia production. Wide-scale adoption of CCSR in chemical manufacturing has the potential to recycle between 4-10 Gta CO₂ annually by 2050, representing ca. 50% of this industry’s carbon neutrality goal [14]. This work was supported by the National Research Foundation (NRF), Prime Minister’s Office, Singapore under its Campus for Research Excellence and Technological Enterprise (CREATE) programme through the eCO2EP project operated by Cambridge Centre for Advanced Research and Education in Singapore (CARES) and the Berkeley Education Alliance for Research in Singapore (BEARS) and by the AxCIS programme operated by BEARS. 

References:

1.     Graves,C.; Ebbesen, S. D.; Mogensen, M.; Lackner, K. S. Renew. Sustain. Energy Rev. 2011,15, 1–23.

2.     Chu, S.; Cui, Y.; Liu, N. The Path towards Sustainable Energy. Nat. Mater. 2016, 16, 16–22.

3.     Osterloh, F. E. ACS Energy Lett. 2017, 2, 445–453.

4.     Ager, J. W.; Lapkin, A. A. Science 2018, 360, 707–708.

5.     Chorkendorff, Nørskov, Jaramillo, et al., Science 2017, 355, eaad4998.

6.     B. Xu et al., Nat. Catal. 2023, 6, 885.

7.     J. M. Mayer, J. Catal., 2024, 439, 115725.

8.     Wang, Lum, et al., Nature Chem. 2025 17, 334–343.

9.     Buonsanti et al., Nature Cat. 2024, 7 89

10.  Fujii, et al., ACS Energy Lett. 2024, 4225.

11.  Ertl, Angew. Chemie Int. Ed. 2008, 47, 3524.

12.  Lapkin, Ager, et al., Nature Catal. 2022 5 1169.

13.  Barecka, M. H.; Ager, J. W.; Lapkin, A. A. Energy Environ. Sci. 2021, 14, 1530–1543.

14.  Barecka, M. H.; Ager, J. W.; Lapkin, A. A. iScience 2021, 102514

SOLAR-TO-X TECHNOLOGIES AND THEIR ESSENTIAL ROLE AN A RESILIENT AND LOW-CARBON FUTURE

Gabriele Centi^a* , Siglinda Perathoner^a

^aUniversity of Messina (Italy) and ERIC aisbl (European Research Institute of Catalysis, Belgium), Dept. ChiBioFarAm, V.le F. Stagno D’Alcontres 31, 98166 Messina (Italy). 

Abstract

Solar energy is the most abundant renewable energy source on Earth, and solar energy technologies are essential in achieving worldwide commitments towards a carbon-neutral society (1-3). However, for solar energy to be usable, it should be transformed into heat, electricity or incorporated into chemicals. The latter allows renewable energy to be stored in chemical bonds, thus enabling long-term renewable energy storage and long-distance energy transport. Developing those chemical energy vectors is crucial to replacing fossil fuels and establishing a renewable-based economy and carbon circularity (4). Chemical conversion technologies directly using solar energy, so-called Solarto-X technologies, are central to implementing chemical energy conversion solutions.

This keynote lecture will first introduce the background aspects, the vision of the future and evolving scenario, and why solar-to-X technologies are essential in a resilient and low-carbon future. It analyses the changing energychemistry nexus, the drivers for a new sustainable energy scenario, a new vision for refineries, the enabling aspects towards fossil-free chemical production, approaches in defossilization and electrification of the production, and low-carbon H₂ briefly. It is highlighted, in particular, the need to turn the perspective to address these aspects (5-7).

The second part of the lecture will be focused on the features and role of artificial leaf/tree-like devices as an example of solar-to-X technologies (3, 8-13). Their feature and design, state of development and advances under development (such as artificial trees for continuous H₂ production or for making chemicals and food components from the air) will be discussed, showing how these artificial leaf/tree technologies are not a long-term dream, but a real possibility in a medium term, if enough research effort will be dedicated. This lecture is part of the activities related to EU CSA SUNER-C project 101058481 and ERC SCOPE Synergy project 810182.

Keynote: Solar-to-X; Low-carbon chemicals; Artificial leaf; Solar H₂; Air to chemicals 

Reference:

1. P. Lanzafame et al., Beyond Solar Fuels: Renewable Energy-Driven Chemistry. ChemSusChem 10, 4409-4419 (2017).

2. S. Perathoner, G. Centi, Catalysis for solar-driven chemistry: The role of electrocatalysis. Catal. Today 330, 157-170 (2019).

3. G. Centi, C. Ampelli, CO₂ conversion to solar fuels and chemicals: Opening the new paths. J. Energy Chem. 91, 680-683 (2024).

4. S. Perathoner, K. M. Van Geem, G. B. Marin, G. Centi, Reuse of CO₂ in energy intensive process industries. Chem. Comm. 57, 10967-10982 (2021).

5. G. Centi, S. Perathoner, Catalysis for an electrified chemical production. Catal. Today 423, 113935 (2023).

6. H. Kang et al., Understanding the complexity in bridging thermal and electrocatalytic methanation of CO₂. Chem. Soc. Rev. 52, 3627-3662 (2023).

7. G. Centi, S. Perathoner, Rethinking chemical production with “green” hydrogen. Pure and Appl. Chem. 96, 471-477 (2024).

8. C. Ampelli et al., Electrode and cell design for CO₂ reduction: A viewpoint. Catal. Today 421, 114217 (2023).

9. V. Romano, G. D’Angelo, S. Perathoner, G. Centi, Current density in solar fuel technologies. Energy & Env. Sci. 14, 5760-5787 (2021).

10. G. Centi, S. Perathoner, Making chemicals from the air: the new frontier for hybrid electrosyntheses in artificial tree-like devices. Green Chem. 26, 15-41 (2024).

11. G. Centi, Y. Liu, S. Perathoner, Catalysis for Carbon-Circularity: Emerging Concepts and Role of Inorganic Chemistry. ChemSusChem n/a, e202400843 (2024).

12. G. Papanikolaou, G. Centi, S. Perathoner, P. Lanzafame, Green synthesis and sustainable processing routes. Current Opinion in Green and Sustainable Chem. 47, 100918 (2024).

13. C. Ampelli et al., An artificial leaf device built with earth-abundant materials for combined H₂ production and storage as formate with efficiency > 10%. Energy & Envir. Sci. 16, 1644-1661 (2023). 

PHOTOCATALYSIS STUDIED AT SINGLE-PARTICLE LEVEL

Zhaoke Zheng*

State Key Laboratory of Crystal Materials, Shandong University, Jinan, China

*Corresponding author: zkzheng@sdu.edu.cn

Abstract

The real catalytic conversion process exhibits significant surface interface heterogeneity and complex spatiotemporal dynamics at the micro nano scale, requiring high-precision characterization techniques to obtain more accurate surface interface structure-activity relationship information. Single particle fluorescence spectroscopy technology, by monitoring the fluorescence characteristic parameters of individual nanoparticles in situ, can study the specific physical and chemical processes of surface interface structure evolution, charge transfer, and energy transfer at the single particle scale, and can be used to accurately reveal surface interface properties and catalytic mechanisms. In the early stage, we developed a "spatially resolved" single particle fluorescence spectroscopy technology with independent intellectual property rights, and initially achieved the construction of a single particle spectroscopy system with "time-resolved" characteristics. Based on this technology, the transfer of hot electrons from the absorption center to the catalytic center has been confirmed at the single particle level; A microfluidic reaction device was designed to achieve in-situ study of single particle surface reactions under catalytic conditions, revealing the mechanism of carrier driven H₂O molecule activation reaction and non competitive adsorption reaction, and discovering the key role of direct energy transfer mechanism in HCOOH molecule activation; For the first time, nanoscale imaging of BiVO₄ surface defects has been achieved, providing a spatially high-resolution characterization technique for the distribution and imaging of surface defects in solid materials. This has revealed the adsorption and activation mechanism of O₂ molecules by specific active site defects, accelerated interfacial charge transfer, and enhanced the catalytic activity of benzylamine oxidative coupling.

Keywords: single-particle spectroscopy, photocatalysis

Figure 1: The activation of water molecules by energetic charge carriers.

References

1. B. Li, M. Lv, Y. Zhang, X. Gong, Z. Lou*, Z. Wang, Y. Liu, P. Wang, H. Cheng, Y. Dai, B. Huang, Z. Zheng*, ACS Nano 2024, 18, 25522.

2. Y. Zhang, Y. Liu, T. Zhang, X. Gong, Z. Wang, Y. Liu; P. Wang, H. Cheng, Y. Dai, B. Huang, Z. Zheng*, Nano Lett. 2023, 23, 1244.

3. X. Gong, F. Ma, Y. Zhang, Y. Li, Z. Wang, Y. Liu, P. Wang, H. Cheng, Y. Dai, Y. Fan, B. Huang, Z. Zheng*, ACS Catal. 2023, 13, 12338.

4. F. Ma, Z. Li, R. Hu*, Z. Wang, J. Wang, J. Li, Y. Nie, Z. Zheng*, X. Jiang*, ACS Catal. 2023, 13, 14163.

5. B. Li, F. Tong, M. Lv, Z. Wang, Y. Liu, P. Wang, H. Cheng, Y. Dai, Z. Zheng*, B. Huang. ACS Catal. 2022, 12, 9114.

ELECTROCHEMICAL CONVERSION OF CO₂ USING SINGLE ATOM DECORATED CATALYSTS

Soo Young Kim^a,*

^aDepartment of Materials Science and Engineering, Korea University, Seoul, Republic of Korea

^*Corresponding author: sooyoungkim@korea.ac.kr

Abstract

The pursuit of a circular carbon economy and the need to surmount the constraints of CO₂ electroreduction technology has prompted the development of single-atom catalysts (SACs) for electrocatalysts. SACs consist of isolated metal atoms dispersed on a support material. First, zeolitic imidazolate framework (ZIF)-8 containing various transition metal ions—Ni, Fe, and Cu—at varying concentrations upon doping were fabricated for the electrocatalytic CO₂ reduction reaction (CO₂RR) to CO without further processing. The electron-rich sp² C atoms of optimized copper doping on ZIF-8, leading to a local effect between the Zn–N₄ and Cu–N₄ moieties, achieve a maximum Faradaic efficiency for CO₂ to CO of 88.5% at -1.0 V (vs. RHE) with a stability over 6 h [1]. Second, compared to nanoparticles, SACs have been shown to significantly enhance the efficiency of metal atom utilization by nearly 100%, which results in a higher concentration of active sites, leading to outstanding catalytic activity, excellent product selectivity, and stability. Among the diverse support materials, the ZIFs, a sub-class of metal-organic frameworks (MOFs) with high nitrogen content, have been widely used to prepare metal-nitrogen-doped carbon (M-NC) SACs with dense active sites. Herein, we utilized an eco-friendly approach to produce two-dimensional ZIF-8 nanosheets (ZIF-8-NS) as an optimal support material for SACs. Additionally, we introduced Ni precursor into the synthesis process of Ni-ZIF-8-NS, which was then subjected to pyrolysis at 950 °C under a N₂ atmosphere to yield the final product, Ni-NC-NS. Ni-NC-NS demonstrated an outstanding CO2RR performance by exhibiting excellent Faradaic efficiency (FE) toward CO of ~100% both in the H-cell and flow-cell reactors as well as a remarkable turnover frequency (TOF) of 23,699 h⁻¹. [2] Finally, we will present a facile strategy for synthesizing M–NC SACs using metal-chelating ligands, eliminating the need for additional processing steps. Specifically, the method to use ethylenediaminetetraacetic acid as a strong metal-chelating ligand will be shown. [3]

Keywords: Metal-organic framework, CO₂ reduction, Electrocatalysts, Sing-atom catalysts

References

1.   Cho, JH; Lee, C; Hong, SH; Back, S; Seo, MG; Lee, M; Min, HK; Choi, Y; Jang YJ; Ahn, SH; Jang HW; Kim SY. Adv. Mater. 2023, 35, 2208224

2.   Cho, JH; Ma, J; Lee, C; Lim, JW; Kim, Y; Jang, HY; Kim, J; Seo, MG; Choi, Y; Jang YJ; Ahn, SH; Jang HW; Back, S; Lee JL; Kim SY. Carbon Energy 2024, 6, e510

3.   Kim, JH; Kim, J; Ma, J; Cho, JH; Jeong, J; Iimura, S; Jang, HW; Kim, SY. Small 2025, 21, 2409481

CARBON-BASED METAL-FREE ELECTROCATALYSTS FOR CLEAN ENERGY CONVERSION AND ENVIRONMENTAL REMEDIATION

Liming Dai

Australian Carbon Materials Centre

The ARC Centre of Excellence for Carbon Science and Innovation

 University of New South Wales, Sydney, NSW 2052, Australia

Email: l.dai@unsw.edu.au; https://www.carboncentre.org.au/

Abstract:

Since our discovery of the first carbon-based metal-free electrocatalyst (C-MFEC, i.e., N-doped carbon nanotubes) for oxygen reduction in fuel cells in 2009, the field of C-MFEC has grown enormously. C-MFECs, as alternatives to noble metal-based electrocatalysts, have been widely demonstrated for efficient oxygen reduction, oxygen evolution, hydrogen evolution, carbon dioxide reduction, nitrogen reduction, and many other electrocatalytic reactions. Recent worldwide research effort has shown great potential for applications of C-MFECs in fuel cells for clean energy conversion, metal-air batteries for energy storage, water splitting for hydrogen fuel generation, and other electrochemical processes for value-added chemical production to reduce or even eliminate greenhouse emissions. Further research and development of C-MFECs could revolutionize clean energy and environmental remediation technologies. In this talk, I will summarize some of our work on the development of C-MFECs for clean energy conversion and environmental remediation, along with an overview on recent advances, current challenges, and future perspectives in this exciting field.

RADIOACTIVITY IN THE MARINE ENVIRONMENT: CONTEXT, PERCEPTIONS, AND RISKS

Nicholas D. Priest

Université Laval, Québec, Canada, and Middlesex University, UK.

*Corresponding author: prof.nick.priest@gmail.com

Abstract

Seventy-one percent of the earth’s surface is covered by oceans and seas and changes in the marine environment provide a potential threat to the wider global environment, and human health. Human activities that have produced both local and global impacts are many. In a major recent a publication on human health and ocean pollution (Landrigan et al.) pollutants of concern are identified, including plastic waste, spilt oil, chemicals, nutrients, mercury, and pesticides. Radionuclides are not mentioned. In contrast, there is much evidence to suggest that the discharge of radionuclides and exposures to anthropogenic radiation sources generally are of major concern to populations across the world. Radionuclides of most concern are hydrogen-3 (tritium) – as evidenced by concerns about discharges to the Pacific Ocean from Fukushima -, the fission products e.g., caesium-137 and strontium-90, and discharged nuclear fuel radionuclides including uranium and plutonium isotopes. While accidental losses and the sea dumping of fuel cycle wastes are important it is fuel recycling operations that, historically, have resulted in the largest discharges and the greatest accumulations of radioactivity in regional waters and marine sediments. Of these, the operations at the Windscale/Sellafield site in the UK have resulted in the highest regional accumulations of fuel cycle radionuclides – in the Irish Sea. These discharges, most of which occurred in the 1970’s, were permitted provided the consequent radiation doses received by the most exposed populations (the critical group) did not exceed the population dose limit for exposures to anthropogenic radiation. In the early years this was set at 5mSv/y and the reference critical group were people that collected and consumed larva bread (contaminated seaweed). At this dose level, and at this time, it was assumed that either the exposures would result in no ill-effects or were too small to be of concern. Subsequently, radiation protection assumptions were changed such that all exposures to radiation were deemed to be carcinogenic and potentially harmful. The level of harm equivalent to 5mSv/y could then be calculated to be approximately 0.025% - although local concerned populations perceive risks to be underestimated. However, when radiation risk factors were specified, they were calculated from the backward extrapolation of high dose toxicity data and may not be relevant to low dose exposures. Moreover, the effects of induced damage repair and immune responses were not fully considered, and recent evidence suggests high environmental exposures in regions of high natural radioactivity have not resulted in the predicted adverse outcomes on health. Moreover, there is new evidence that suggests that low exposures, up to about 100mSv, may actuality inhibit the progression of cancer and result in life-extensions. Given that the radiation doses from the marine environment are now much lower than 5mSv/y, it is concluded that there is no evidence to suggest that populations should be concerned about health effects resulting from the contamination of global and local marine environments by radionuclides. 

PHOTON-PHONON CO-DRIVEN CONVERSION OF CH₄ TO C₂

Junwang Tang

Industrial Catalysis Center, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

^*Corresponding author: jwtang@tsinghua.edu.cn

Abstract

Solar-driven conversion of carbon-containing sources, eg. CO₂ and CH₄ to valuable chemicals is regarded as a pivotal approach for harnessing solar energy and, more importantly, a highly efficient pathway toward achieving carbon neutrality in chemical synthesis. Our early studies on charge dynamics in inorganic materials reveal that the current low solar conversion efficiency is due to both fast charge recombination and sluggish water oxidation [1,2], thus we developed effective material strategies to overcome these challenges and improve the performance of photocatalysis.

Typically, we found that surface junctions can substantially facilitate charge transfer and separation. For instance, the junction composed of C₃N₄ and carbon quantum dots which were synthesised by microwave chemistry represents an unprecedented CO₂ reduction efficiency using water as the sole proton source, leading to CO₂ to methanol with a 100% selectivity [3]. More importantly, we discovered that coupling photons with phonons to co-drive catalytic reactions is significantly more efficient and selective compared to solely relying on photocatalysis, which has been demonstrated in a few scenarios, including methane conversion to formaldehyde on Ru/ZnO [4], methane to C₂H₆ over Au loaded TiO₂ [5] etc, all with extremely high conversion and selectivity. Very recently, we developed a new concept of an intramolecular junction, which is composed of alternate benzene and triazine motifs in CTF polymer. Such structure can facilitate fast charge separation and is characterised by spatially separated reduction and oxidation sites in one molecular unit, thus substantially improving the methane conversion to ethanol and mitigating the overoxidation to CO₂, resulting in an unprecedented ethanol yield and selectivity of 80% operated under ambient condition [6].

Keywords: photon-phonon co-driven catalysis, methane, ethane, ethanol, selectivity

References

1. Wang, Y.; Vogel, A.; Sachs, M; Sprick, R.S.; Wilbraham,L.; Moniz, S.J.A.; Godin, R.; Zwijnenburg, M.A.; Durrant, J.R.; Cooper, A.I.; Tang, J, Nature Energy, 2019, 4, 746-760.
2. Tang, J.; Durrant, J.; Klug, D. J. Am. Chem. Soc., 2008, 130 (42) 13885-13891.
3. Wang, Y.; Liu, X.; Han, X.; Godin, R.; Chen, J.; Zhou, W.; Jiang, C.;Thompson, J.F.; Bayazit, M.; Shevlin, S.; Durrant, J.R.; Guo, Z.; Tang, J., Nature Communications, 2020, 11, 2531
4. Xu, Y.; Wang, C.; Li, X.; Xiong, L.; Zhang, T.; Zhang, L; Zhang, Q.; Gu, L.; Lan, L.; Tang, J., Nature Sustainability, 2024, 7, 1171–1181.
5. Li, X.; Li, C.; Xu, Y.; Liu, Q.; Bahri; M., Zhang, L.; Browning, N.D.; Cowan, A.J.; Tang, J., Nature Energy, 2023, 8, 1013–1022.
6. Xie, J.; Fu, C.; Quesne, M.G.; Guo, J.; Wang, C.; Xiong, L.; Windle, C.D.; Gadipelli, S.; Guo, Z.X.; Huang, W.; Catlow, C.R.A.; Tang, J., Nature, 2025, https://doi.org/10.1038/s41586-025-08630-x.

BATTERY INNOVATION EMPOWERED BY LITHIUM BOND AND ARTIFICIAL INTELLIGENCE

Qiang Zhang*

Beijing Key Laboratory of Complex Solid State Batteries,

Tsinghua Center for Green Chemical Engineering Electrification (CCEE),

Department of Chemical Engineering, Tsinghua University, Beijing 100084, China

zhang-qiang@mails.tsinghua.edu.cn

Lithium bonds, analogous to hydrogen bonds, exhibit unique properties due to lithium’s weak metallic nature, offering exciting potential for lithium battery applications. This talk will delve into the concept of lithium bonds, exploring their underlying chemistry and how they can be harnessed to design new battery material combing with emerging artificial intelligence and further improve battery performances. Specifically, solid electrolytes combined with high-voltage Li-rich Mn-based cathodes and anode-free cell designs hold significant promise for high-energy-density and high-safety systems. However, challenges such as interfacial oxygen escape and unstable anode morphology continue to hinder their widespread applications. To address these issues, we have developed a fluoropolyether-based solid polymer electrolyte featuring a novel anion-rich solvation structure, which stabilizes the interface and enhances cycling stability. The resulting pouch cell demonstrates an ultra-high energy density (>600 Wh/kg) and excellent safety under a nail penetration at a full charge condition, advancing solid-state battery technology and paving the way for safer, higher-energy systems.

Reference

[1] Chen, X.; Bai, Y.-K.; Zhao, C.-Z.; Shen, X.; Zhang, Q., Lithium bond in lithium batteries. Angew. Chem. Int. Ed., 2020, 59, 11192–11195.

[2] Lu, Y.; Zhao, C.-Z.; Zhang, R.; Yuan, H.; Hou, L.-P.; Fu, Z.-H.; Chen, X.; Huang, J.-Q.; Zhang, Q. The carrier transition from Li atoms to Li vacancies in solid-state lithium alloy anodes. Sci. Adv. 2021, 7, eabi5520.

[3] Yao, Y.X.; Wan, J.; Liang, N.Y.; Yan, C.; Wen, R.; Zhang, Q. Nucleation and growth mode of solid electrolyte interphase in Li-ion batteries. J. Am. Chem. Soc. 2023, 145, 8001

[4] Gao, Y.C.; Yao, N.; Chen, X.; Yu, L.G.; Zhang, R.; Zhang, Q. Data-driven insight into the reductive stability of ion-solvent complexes in lithium battery electrolytes. J. Am. Chem. Soc. 2023, 145, 23764.

[5] Yao, N.; Chen, X.; Sun, S.Y.; Gao, Y.C.; Yu, L.G.; Gao, Y.B.; Li, W.L.; Zhang, Q. Identifying the lithium bond and lithium ionic bond in electrolytes. Chem 2025, 11, 102254.

HETEROGENEOUS MOLECULAR CATALYSIS FOR ELECTROCHEMICAL CO₂ REDUCTION

Yijiao Jiang

School of Engineering, Macquarie University, Sydney, Australia

Email: yijiao.jiang@mq.edu.au

Abstract

Electrochemical reduction of CO₂ in aqueous electrolytes is one of the most promising routes for commercial CO₂ utilization. A switch from the currently used noble metal-based catalysts to the carbonsupported macrocyclic complexes could bring a much-needed cost reduction thus making the technology economically viable. However, the inherently low conductivity and tendency of molecular catalysts to degrade during the long-term operation present a challenge for catalyst design. We applied mechanistic investigations to tackle a challenging problem of the catalyst durability in CO₂ electrolysis. It was determined that the loss of activity takes place due to the reductive carboxylation and cooccurring formation of inactive metal complex. Therefore, the stability could be greatly enhanced through the introduction of bulky donating substituents around the macrocyclic core. These insights allowed us to design and synthesis a catalyst bearing eight methoxy groups around the lateral aromatic moieties which demonstrate an improved stability during the long run electrolysis. These design principles, combined with our recent development of bicarbonate electrolysis and heterogeneous molecular catalysts, would provide a low-cost and very stable catalytic system for CO₂ electrolysis.

Keywords: Heterogenous molecular catalyst, cobalt phthalocyanine, mechanism-driven design, carbon dioxide electroreduction, bicarbonate electrolysis 

References

1.     A. Kochubei, A. Marianov, O. Conquest, T. Lu, Y. Liu, C. Stampfl, Y. Jiang, J. Mater. Chem. A 2024.

2.     A. Marianov, A. Kochubei, S. Gu, Y. Jiang, ACS Catal. 2022, 12, 8610.

3.     S. Gu, A. Marianov and Y. Jiang, Appl. Catal. B Environ. 2022, 300, 120750.

4.     A. Marianov, A. Kochubei, T. Roman, O. Conquest, C. Stampfl, Y. Jiang, ACS Catal. 2021, 11, 3715.

5.     A. Marianov, Y. Jiang, Appl. Catal. B Environ. 2019, 244, 881.

DESIGN OF HETEROGENEOUS CATALYSTS FOR PRECISION CATALYSIS

Ye Wang*

^aState Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

*Corresponding author: wangye@xmu.edu.cn

Abstract

The heterogeneous catalyst is typically composed of an active phase, a support and one or several promoters. Under the current pursuit of precision catalysis, developing new strategies for catalyst design has become imperative. Here, I present our catalyst-design strategies of dynamic control of confined single-atom catalysis for propane dehydrogenation and relay catalysis for syngas conversion to C₂ oxygenates. Propane dehydrogenation (PDH) is one of the most attractive heterogeneous catalytic reactions, with a simple reaction mechanism mainly involving the C-H activation. However, fast catalyst deactivation due to the coke deposition, induced by the C-C cleavage and deep dehydrogenation, remains a significant challenge. Rhodium is the most active metal towards C-H activation, but Rh-based catalysts typically exhibit poor PDH performance. We successfully designed and constructed a highly efficient and ultrastable Rh single-atom catalyst by leveraging zeolite-confinement effect and the dynamic migration of indium species under reaction conditions.1 No catalyst deactivation was observed for the conversion of pure propane at 550°C over 6000 h. Syngas (CO/H₂), a sustainable C1 feedstock derivable from either fossil resources or renewables, has attracted significant attention as a key platform. Despite remarkable advances in the conversion of syngas to lower olefins over the past decade, selective synthesis of a C₂ oxygenate from syngas, a reaction with complex mechanisms containing multiple intermediates and complex reaction networks, has been less successful. We demonstrate that relay catalysis is a promising methodology for designing catalyst to control such complex reactions. ^2-4 By designing and constructing a dual-site heterogeneous carbonylation catalyst that operates efficiently at a lower CO/CH₃OH ratio, we successfully overcame the conversion-selectivity trade-off in syngas conversion to C₂ oxygenates via relay catalysis. The selectivity of acetic acid or ethanol reached 90% at single-pass CO conversions of 30-40%.

Keywords: catalyst design, single-atom catalysis, relay catalysis, propane dehydrogenation, syngas conversions

References

1.  Zeng, L.; Cheng, K.; Sun, F.; Fan, Q.; Li, L.; Zhang, Q.; Wei, Y.; Zhou, W.; Kang, J.; Chen, M.; Liu, Q.; Zhang, L.; Huang, J.; Cheng, J.; Jiang, Z.; Fu, G.; Wang, Y. Science 2024, 383, 998-1004.

2.  Cheng, K.; Li, Y.; Kang, J.; Zhang, Q.; Wang, Y. Acc. Chem. Res. 2024, 57, 714-725.

3.  Kang, J.; He, S.; Zhou, W.; Shen, Z.; Li, Y.; Chen, M.; Zhang, Q.; Wang. Y. Nat. Commun. 2020, 11, 827.

4.  Zhou, W.; Kang, J.; Cheng, K.; He, S.; Shi, J.; Zhou, C.; Zhang, Q.; Chen, J.; Peng, L.; Chen, M.; Wang Y. Angew. Chem. Int. Ed. 2018, 57, 12012-12016.

MICRO AND NANOPLASTICS IN ENVIRONMENTAL SAMPLES - REQUIREMENTS FOR RELIABLE QUANTIFICATION

Roland Kallenborn^a,*, Katrin Vorkamp^b

^aFaculty of Chemistry, Biotechnology and Food Sciences (KBM); Norwegian University of Life Sciences (NMBU), Ås, Norway.

^bDepartment of Environmental Science, Aarhus University, Roskilde, Denmark

*Corresponding author: Roland.kallenborn@nmbu.no

Abstract

In recent years, the fate and distribution profiles of micro- and nanometer-sized organic polymeric materials (micro- and nanoplastics; MP/NP) have become a focus area in international environmental sciences. Quantification of MP is often based on spectroscopic methods, such as Fourier-Transform Infrared (FT-IR) and Raman spectroscopy. Restrictions in size resolution and contamination issues usually prevent the determination of particles smaller than 0.5 µm, thus excluding typical NP size fractions. An alternative quantification method is based on pyrolysis combined with gas chromatography/mass spectrometry (Pyr-GC/MS). Regardless of the analytical method, the quantitative polymer-specific analysis of MP/NP in the environment is crucial for understanding their sources, distribution and impacts on ecosystems and human health.

This presentation outlines the essential quality criteria for MP/NP analyses, emphasizing the need for harmonized methodologies and standardized quality assurance and control (QA/QC) measures to ensure accuracy and reproducibility. Key steps include sample collection and preparation, detection and identification, quality control (including representative blanks as well as positive controls/recovery), and standardized reporting for data interpretation. Several national and international monitoring programs have extended their efforts to include MP/NP. The Arctic Monitoring and Assessment Programme (AMAP) recently prepared a monitoring plan as well as monitoring guidelines, including QA/QC recommendations for coordinated and harmonized MP monitoring in the Arctic. The guidelines developed by AMAP will be discussed as a starting point for appropriate analytical strategies for MP/NP quantification. By adhering to appropriate quality control criteria, researchers and laboratories can improve the reliability of microplastic studies, contributing to more effective environmental management and mitigation strategies.

Keywords: Quantitative methods, Microplastic, environment, quality control, 

NEXT GENERATION RISK ASSESSMENT APPLIED TO NANOPESTICIDES

Melanie Kah^a*, Rai Kookana^b, Jose Tarazona^c

^a The University of Auckland, School of Environment, New Zealand

^b University of Adelaide, Waite Campus, Glen Osmond, Australia

^c Spanish National Environmental Health Center. Instituto de Salud Carlos III. Madrid, Spain

^*Corresponding author: melanie.kah@auckland.ac.nz

Abstract

The application of nanotechnology to develop and improve pesticides has been the topic of intense research and development activities over the last decade. Current challenges associated with the regulatory risk assessment of nanopesticides are one reason for their slow market uptake, which may be a missed opportunity to improve current agricultural practices. Guiding principles to adapt ecological and human health risk assessments were previously developed through a series of multisectoral workshops involving scientists, regulators, and industry, and supported by the IUPAC [1, 2, 3]. 

Our latest workshop evaluated the potential application of Next Generation Risk Assessment (NGRA) to nanopesticides. The main drivers for NGRA are the incorporation of molecular, computational and system biology developments in risk assessment, with a focus on animal-free New Approach Methodologies (NAMs). NGRA entails a more mechanistically based risk assessment paradigm and the use of hypotheses, based on this mechanistic understanding and a comprehensive evaluation of exposure potential. NGRA is an emerging approach that is particularly relevant for assessments at the nano-scale.

In this presentation, we will illustrate how NGRA can be applied to nanopesticides. Several case studies have been selected to illustrate how hypotheses driving the NGRA can be established on the basis of three main information sources: (1) the expected exposure pathway for each human group or ecological taxa, (2) the previous knowledge on toxicity of the active substance and relevant co-formulants, and (3) the characteristics and benefits expected by the nano design of the plant protection product. We hope that the proposed framework can serve as a foundation to advance the risk assessment of nanopesticides as well as other advanced materials that do not easily fit in with existing approaches.

Keywords: nanopesticides, nanofertilisers, nanocarriers, risk assessment

References

1. RS Kookana, ABA Boxall, PT Reeves, R Ashauer, S Beulke, Q Chaudhry, ...Journal of agricultural and food chemistry 2014. 62 (19), 4227-4240

2. GW Walker, RS Kookana, NE Smith, M Kah, CL Doolette, PT Reeves, ...Journal of Agricultural and Food Chemistry 2018 66 (26), 6480-6486

3. M Kah, LJ Johnston, RS Kookana, W Bruce, A Haase, V Ritz, J Dinglasan,… Nature Nanotechnology 2021. 16 (9), 955-964. 

THE INTERPLAY BETWEEN PLASMONICS AND ELECTROCHEMISTRY

Bin Ren, Xiang Wang, Yi-Fan Bao, Mengyuan Zhu, Teng-Xiang Huang

State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

Tan Kah Kee Innovation Laboratory, Xiamen 361005, China

^*Corresponding author: bren@xmu.edu.cn

Abstract 

Plasmonics is a rapidly evolving field, focusing on the interaction between light and metallic nanostructures of Au, Au and Cu. The plasmonic excitation can create intense, localized EM fields near nanostructure surfaces due to the confinement of oscillating charges. This field enhancement, magnified at sharp tips or nanogaps amplifies optical signals such as Raman scattering, leading to some important techniques, such as surface-enhanced Raman spectroscopy (SERS) and tip-enhanced Raman spectroscopy (TERS). TERS, which can simultaneously provide topographic and chemical information, can provide very high spatial resolution down to sub-nanometer level in UHV condition and several nanometer under electrochemical condition. In this talk, we will bring you to the frontier of plasmonics and electrochemistry and how the effect as a result of the plasmonic excitation can be utilized to induce the electrochemical reaction and characterize the electrochemical processes. Special focus will be on the development of electrochemical TERS, from instrument construction to tip fabrication. We could achieve EC-TERS imaging with a spatial resolution of around 4 nm. EC-TERs was applied to probe the spatial distribution of plasmonically excited hot carriers, visualize the structural evolution of individual active sites of MoS₂ during hydrogen evolution reaction (HER), and detection of surface processes highly related to electrocatalytic processes, including CO adsorption and oxidation. We will point out the challenges and perspectives and how plasmonics can further propel the electrochemistry field.

Keywords: Electrochemistry, Raman, Carbon monoxide, active sites

References

1.     Huang, T. X.; Cong, X.; Wu, S. S.; Wu, J. B.; Bao, Y. F.; Cao, M. F.; Wu, L.; Lin, M. L.; Wang, X.; Tan, P. H.; Ren, B. Nat. Catal. 2024, 7, 646.

2.     Brosseau, C. L.; Colina, A.; Perales-Rondon, J. V.; Wilson, A. J.; Joshi, P. B.; Ren, B.; Wang, X. Nat. Rev. Methods Primers 2023, 3, 79.

3.     Zhong, J. H.; Jin, X.; Meng, L.; Wang, X.; Su, H. S.; Yang, Z. L.; Willams, C. T.; Ren, B. Nat. Nanotechnol. 2017, 12, 132.

4.     Wang, X.; Huang, S. C.; Hu, S.; Yan, S.; Ren, B. Nat. Rev. Phys. 2020, 2, 253.

5.     Deng, K. C.; Lu, Z. X.; Sun, J. J.; Ye, J. Y.; Dong, F.; Su, H. S.; Yang, K.; Sartin, M.; Yan, S.; Cheng, J.; Zhou, Z. Y.; Ren, B.. Chem. Sci. 2022, 13, 10884.

6.     Zeng, Z. C.; Huang, S. C.; Wu, D. Y.; Meng, L. Y.; Li, M. H.; Huang, T. X.; Zhong, J. H.; Wang, X.; Yang, Z. L.; Ren, B. J. Am. Chem. Soc. 2015, 137, 11928.

7.     Zhan, C.; Liu, B. W.; Huang, Y. F.; Hu, S.; Ren, B.; Moskovits, M.; Tian, Z. Q. Nat. Commun. 2019, 10, 2671.

CATALYSING SUSTAINABLE CHEMICAL MANUFACTURING

Adam F. Lee^a,*

^aSchool of Environment and Science , Griffith University, QLD 4222, Australia.

*Corresponding author: adam.lee@griffith.edu.au; adamfraserlee@gmail.com

Abstract

The anthropogenic origin of climate change from combustible carbon, and desire to establish a global circular economy is driving the quest for new sustainable manufacturing processes.¹ Catalysis has a rich history of facilitating energy efficient, selective molecular transformations, and will play a pivotal role in overcoming the scientific and engineering barriers to sustainable and economically viable energy vectors and chemicals. This presentation describes challenges in the design of catalytic technologies for biofuels and platform chemicals synthesis.²

Advances in the rational design of nanoporous solid acid and base catalysts enable the fabrication of hierarchical porous architectures³ in which different active sites are spatially compartmentalised. Synergies between nanoporous solid acids and metal nanoparticles organocatalysts also facilitate active and selective upgrading of phenolic components of pyrolysis bio-oils to hydrocarbon fuels, and precious metal thrifting.⁴ Active site compartmentalization and the synthesis of bifunctional organocatalysts (Figure 1)⁵ facilitate chemical cascades to produce valuable (bioderived) chemical intermediates.⁶

Keywords: heterogeneous catalysis, biomass, biofuels, chemical cascade, 

Figure 1. Cascade deacetalisation‐Knoevenagel condensation of dimethyl acetals over BMA.

References

1.   Chu, S.; Majumdar, A. Nature 2012, 488, 294-303.

2.   Abbas, A.; Cross, M.; Duan, X.; Jeschke, S.; Konarova, M.; Huber, G.W.; Lee, A.F.; Lovell, E.C.; Lim, J.Y.C.; Polyzos, A.; Richards, R.; Wilson, K. One Earth 2024, 7, 738-741.

3.   Isaacs, M.A.; Parlett, C.M.A.; Robinson, N.; Durndell, L.J.; Manayil, J.C.; Beaumont, S. K.; Jiang, S.; Hondow, N.S.; Lamb, A.C.; Jampaiah, D.; Johns, M.L.; Wilson, K; Lee, A.F. Nat. Catal. 2020,

3, 921-931.

4.   Shivhare, A.; Hunns, J.A.; Durndell, L.J.; Parlett, C.M.A.; Isaacs, M.A.; Lee, A.F.; Wilson, K. ChemSusChem 2020, 13, 4945-4953.

5.   Chhetri, A.; Maibam, A.; Maniam, S.; Babarao, R.; Wilson, K.; Lee, A.F.; J Mitra, ChemSusChem 2024, 17, e202400866.

6.   Dolan, D.; Brucato, R.; Reid, C.; Lee, A.F., Wilson, K.; Voutchkova-Kostal, A.M. Chem. Sci. 2024, 15, 20223-20239.

EFFECTIVE LAYERED DOUBLE HYDROXIDE BASED NANOSTRUCTURED PHOTOCATALYSTS FOR NITROGEN FIXATION

Tierui Zhang*

Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 10190, Chin.

*Corresponding author: tierui@mail.ipc.ac.cn

Abstract

The activation and conversion of nitrogen is one of the most challenging topics in modern chemistry. Industrial nitrogen fixation requires severe reaction conditions of high temperature and high pressure, and at the same time will emit a large amount of greenhouse gases causing serious environmental problems. Photocatalytic nitrogen fixation is considered as a promising artificial nitrogen fixation technology. At present, the performance of photocatalytic nitrogen fixation still needs to be further improved, and it is urgent to develop low-cost and efficient photocatalytic materials. Layered double hydroxide (LDH)-based nanomaterials have attracted much attention due to their advantages of easy structure regulation and simple preparation. In recent years, by creating defect sites on the surface of LDH-based materials, our research group has achieved enhanced adsorption and activation of N₂ reactants, thus significantly improving the photocatalytic nitrogen fixation performance. ^[1-10]

Keywords: photocatalysis, defect, nitrogen fixation, layered double hydroxide

References

1.   Zhang, T., et al. Adv. Mater. 2025, 2420199

2.   Zhang, T, et al. Nat. Commun. 2024, 15, 789

3.   Zhang, T., et al. Nat. Commun. 2023, 14, 1909

4.   Zhang, T., et al. Adv. Mater. 2023, 35 (44), 2307217

5.   Zhang, T., et al. Adv. Mater. 2022, 34, 2207793

6.   Zhang, T., et al. Angew. Chem. Int. Ed. 2022, 61, e202211469

7.   Zhang, T., et al. Adv. Energy Mater. 2020, 10, 2002199

8.   Zhang, T., et al. Chem. Soc. Rev. 2019, 48, 1375

9.   Zhang, T., et al. Adv. Mater. 2019, 31, 1806482

10. Zhang, T., et al. Adv. Mater. 2018, 30, 170466

ENVIRONMENT-FRIENDLY NANOCELLULOSE: CATALYSIS, SURFACE ENGINEERING, AND SUSTAINABLE EMULSIFIER APPLICATIONS

Lee Hwei Voon^a,*

^aNanotechnology & Catalysis Research Centre, Universiti Malaya, 50603 Kuala Lumpur, Malaysia.

*Corresponding author: leehweivoon@um.edu.my

Abstract

The high demand for fossil-based polymers and non-biological inorganic nanoparticles, which pose risks to human health, environment and lack sustainability, has prompted a shift towards developing materials derived from biological sources. This research focuses on creating eco-friendly nanocellulose (nanocrystalline cellulose, NCC) from natural lignocellulosic biomass, which is plentiful in Malaysia due to its active agro-forestry economy. The nanocrystalline celluloses obtained from wood and agricultural residues are low in toxicity, versatile, and biocompatible, making them suitable for various green applications, such as in food and beverages, cosmetics, personal care, hygiene, pharmaceuticals, and biomedical products.

While NCC holds significant promise as a substitute for petroleum-based resources, it faces challenges due to the intricate production process and the natural hydrophilicity of nanocellulose, which diminishes the oil-water interface interaction necessary for the development of a wide range of products. Thus, an innovative process to isolate NCC from agricultural residues through a sustainable one-pot system, followed by surface modification of NCC was developed for amphiphilic characteristics. The structural, self-assembly, and physio-chemical properties of modified NCC towards the stabilization between liquid-oil interfaces was investigated. In addition, interfacial rheology, microstructure of the emulsions, as well as particles’ location (NCC & oil droplets) were conducted to explore the formulation of liquid-, gel-, and cream-based products.

The group has successfully developed several modified nanocrystalline celluloses with multiple functions, serving as natural nano-additives for a wide range of colloid stabilization or liquid/liquid dispersion formulations. This invention presents opportunities for collaboration with various industries in the production of emulsifiers, rheology modifiers, dietary fibers, lipophilic drug carriers, nutrient carriers, dietary lipid-absorbing agents, food conditioners, and more.

Keywords: Agriculture residues & wastes, catalytic process, sustainable product, bio-based nanoparticles, green application  

References

1. Yazid, N. A., Tan, K. Y., Khor, S. M., & Lee, H. V. International Journal of Biological Macromolecules, 291, 138876. (2025).
2. Yahya, M., Sakti, S. C. W., Fahmi, M. Z., Chuah, C. H., & Lee, H. V. International Journal of Biological Macromolecules, 257, 128696. (2024).
3. Chen, Y. W., & Lee, H. V. Reviews in Chemical Engineering, 36(2), 215-235. (2020).
4. Chen, Y. W., Lee, H. V., & Abd Hamid, S. B. Carbohydrate polymers, 157, 1511-1524. (2017)

PRECISION CATALYSIS TOWARDS CARBON NEUTRALITY

Gang Fu^a,*

^aCollaborative Innovation Center of Chemistry for Energy Materials, State Key Laboratory for Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

*Corresponding author: gfu@xmu.edu.cn

Abstract

Precision catalysis represents an emerging frontier vital to achieving global carbon neutrality goals. It encompasses targeted manipulation of catalytic systems to precisely control reaction outcomes, reduce environmental impact, and optimize renewable energy usage. Recent exemplary studies from the our group highlight the successful application of precision catalysis across various scales, spanning from atomic-level active site optimization, surface dynamics and tailored reaction pathway. Targeting key reaction systems such as catalytic hydrogenation/dehydrogenation, we systematically reveal the electronic structure characteristics and dynamic evolution patterns of active sites on catalytic surfaces and interfaces through multi-scale simulation methods combining density functional theory, machine learning potential, and molecular dynamics. We specifically discuss several important catalytic systems: 1) the mechanism of alkyne semi-hydrogenation on alloy catalyst surfaces; 2) the influence of oxide surface/interface structures on CO₂ hydrogenation; 3) the formation mechanism of Rh-Inx singleatom alloy catalysts and their impact on the direct dehydrogenation of propane to propylene; 4) the regulation of B-based oxide coordination structures on C-H bond dissociation and O₂ activation in propane oxidative dehydrogenation. Furthermore, we outline the key challenges that lie ahead, as well as the critical research avenues required to propel the field forward. We focus on the cutting-edge advancements of theoretical chemistry methods in elucidating catalytic surface reaction mechanisms and rational catalyst design. Keywords: DFT calculations, surface dynamics, strong metal-oxide interaction, alloy effect

Keywords: DFT calculations, surface dynamics, strong metal-oxide interaction, alloy effect

References

1.    Zhou, L.; Zhuo, L.; Yuan, R.; Fu, G., WIRE-Comput. Mol. Sci. 2021, e1531

2.    Jiang, L.; Liu, K.; Hung, S.-F. et al. Nature Nanotech. 2020, 15 (10), 848.

3.    Zhou, W.; Li, L.; Qin, R. et al. Sci. China-Chem. 2022, 65 (4), 726.

4.   Zeng, L., Cheng, K., Sun, F., et al. (2024). Science, 383(6686), 998.

FINDING ALTERNATIVES TO THE MANY USES OF PFAS

Ian T, Cousins

Department of Environmental Science, Stockholm University, Sweden.

*Corresponding author: ian.cousins@aces.su.se

Abstract

Globally, the momentum to phase out the “non-essential” uses of per- and polyfluoroalkyl substances (PFAS) is growing based on concerns regarding their high persistence and other hazardous properties that trigger additional concerns. In Europe, such a broad phaseout of PFAS was taken a step towards reality when the national authorities of five European countries submitted a restriction proposal under the REACH Regulation to restrict the manufacture, placing on the market and use of PFAS. Simultaneously, however, there is a recognition among regulators that an outright ban on all PFAS uses is neither practical nor feasible in the short term given their wide use in modern society, including in the green energy transition and healthcare. In a recent study published in the journal Environmental Science and Technology, we assessed potential alternatives to PFAS across 325 applications in 18 industries and identified 530 PFAS-free alternatives. While many chemical substitutes were found, the research also highlighted the importance of considering material innovations, process changes, and entirely new technologies. These alternatives can often offer safer, more sustainable solutions than simple chemical substitution. Our study, which was part of the ZeroPM project, employed a functional substitution approach, mapping PFAS according to the functions they fulfil in an application. For 40 applications, potential alternatives to PFAS are already available. However, for 83 applications no suitable alternatives could be identified, underscoring critical research gaps. Furthermore, some identified chemical substitutes raised new concerns, with 31% of the alternatives potentially introducing unforeseen hazards. Our study emphasised the urgent need for collaboration within industry and across sectors, as well as the importance of open data sharing. The ZeroPM alternatives database, available online, aims to centralise knowledge on PFAS-free options, helping regulators and industry leaders make informed decisions.

Keywords: functional substitution, regrettable substitution, alternatives assessment, PFAS-free, database

Reference:

1.     Figuière, R., Savvidou, E.K.; Miaz, L.T., Cousins, I.T. (2025) An overview of potential alternatives for the multiple uses of per- and polyfluoroalkyl substances (PFAS) Environ. Sci. Technol. 59, 4, 2031–2042. https://pubs.acs.org/doi/10.1021/acs.est.4c09088

PHOTOTHERMAL CATALYSIS FOR REFORMING OF METHANE

Hongqi Sun* , Jinqiang Zhang

School of Molecular Sciences, The University of Western Australia, Perth, WA6009, Australia

*Corresponding author: hongqi.sun@uwa.edu.au

Abstract

Renewable energies, for example, solar energy has long been contributing to sustaining life and driving natural processes across ecosystems on Earth.[1] Artificial photosynthesis, i.e., photocatalysis, has been demonstrated effective for a range of applications. In recent years, its role has been expanded and strengthened, emerging as a promising alternative to address the pressing challenges of the global energy crisis and climate change. That could innovate conventional thermal catalysis for processing fossil fuels, e.g., dry or steam reforming of methane. However, the solar utilisation efficiency is low, because long wave light of solar heat effect cannot be utilised in photocatalysis. This talk will explore various opportunities for converting solar energy into sustainable fuels and valuable chemicals with full spectrum energy utilisation. By examining materials design, catalytic reactions, and process engineering, we can unlock innovative pathways, for example, photothermal catalysis, for harnessing sunlight in new ways. [2,3] Particular attention will be paid to solar-assisted reforming processes for methane to produce hydrogen or syngas. Additionally, the discussion will highlight how solar energy can serve as a cornerstone for the future of chemical manufacturing, potentially reducing carbon emissions and dependence on fossil fuels. In this way, solar energy stands as a pivotal resource, both for our sustainable future on Earth and for exploring humanity's next frontier.

Keywords: solar energy; photothermal catalysis; reforming; methane; hydrogen

References

1.   Sun, H., Solar-to-Chemical Conversion: Photocatalytic and Photoelectrochemical Processes, 2021, Wiley-VCH, doi:10.1002/9783527825073

2.   Zhang, J.Q.; Chen, H.J.; Duan, X.G.; Sun, H.Q.; Wang, S.B. Mater. Tod., 2023, 568, 234-253.

3.   Zhang, J.Q.; Xie, K.; Jiang, Li, Y. M.; Tan, X.; Yang, Y.; Zhao, X.; Wang, L.; Wang, Y.; Wang, X.; Zhu, Y.; Chen, H.; Wu, M.; Sun, H.; Wang, H. ACS Catal. 2023, 13, 10855-10865. 

SOLAR-ASSISTED CO₂ REDUCTION: FROM MECHANISTIC UNDERSTANDING TO DEVICE ENGINEERING

Jinlong Gong^a,b*

^aSchool of Chemical Engineering & Technology, Key Laboratory for Green Chemical Technology of Ministry of Education, Tianjin University; Collaborative Innovation Center for Chemical Science & Engineering; Tianjin, 300072, China.

^bTianjin Normal University, Tianjin, 300387, China.

^*Corresponding author: jlgong@tju.edu.cn

Abstract

Artificial photosynthesis is a key technology for achieving carbon neutrality and enabling a sustainable future. As a critical component of this process, solar-assisted (photo)electrochemical CO₂ reduction—the “dark reaction” of artificial photosynthesis—has garnered significant attention. Advancing this field requires both a deep mechanistic understanding and systematic engineering of the reaction systems. Through kinetic studies, we have identified the rate-determining steps for the formation of various products. By integrating theoretical calculations with in-situ spectroscopic techniques, we elucidate the relationship between active site structures and CO₂ conversion pathways. These mechanistic insights have informed the development of site-selective strategies for constructing highly active catalysts. Furthermore, using multiphysics simulations, we reveal how mass and charge transport processes influence the performance of membrane electrode assemblies, providing guidance for the scalable design of electrolyzers. Incorporating principles of energy coupling into system design has allowed us to establish matching criteria between solar energy input and electrolyzer operation. By optimizing temperature, flow dynamics, and concentration profiles, we demonstrate stable production of multi-carbon products under scalable conditions. Our work contributes to bridging the gap between fundamental research and practical implementation, advancing the development of efficient, solar-assisted CO₂ reduction systems.

Keywords: CO₂ reduction, photoelectrochemical, electrocatalysis, Cu catalysts 

References

1.   Cheng, D.; Zhao, Z.-J.; Zhang, G., Yang, P.; Li, L.; Gao, H.; Liu, S.; Chang, X.; Chen, S.; Wang, T. Ozin, G. A.; Liu, Z.; Gong, J.*, Nature Commun. 2021, 12, 395.

2.    Zhang, G.; Wang, T.; Zhang, M.; Li, L.; Cheng, D.; Zhen, S.; Wang, Y.; Qin, J.; Zhao, Z.-J.; Gong, J.* Nature Commun. 2022, 13, 7768.

3.   Zhao, J.; Zhang, P.; Yuan, T.; Cheng, D.; Zhen, S.; Gao, H.; Wang, T.; Zhao, Z.-J.; Gong, J.*, J. Am. Chem. Soc. 2023, 145, 6622-6627.

4.   Deng, W.; Zhang, P.; Qiao, Y.; Kastlunger, G.; Govindarajan, N.; Xu, A.; Chorkendorff, I.; Seger. B.*, Gong, J.*, Nature Commun. 2024, 15, 892.

5.   Li, S.; Zhang, G.; Ma, X.; Gao, H.; Fu, D.; Wang, T.; Zeng, J.; Zhao, Z.-J.; Zhang P.*; Gong, J.*, J. Am. Chem. Soc. 2024, 146, 46, 31927-31934.

6.   Wang, Q.; Liu, B.; Wang, S.; Zhang, P.; Wang, T.*; Gong, J.*, Proc. Natl. Acad. Sci. 2024, 121, e2316724121.

METAL ORGANIC FRAMEWORKS FOR ENERGY APPLICATIONS: PERFECT MOFS, DEFECTIVE-, QUASI- AND POST-MOFS

John Wang

Department of Materials Science and Engineering

National University of Singapore. Singapore 117574

NUS (Chongqing) Research Institute, China

^*Corresponding author: msewangj@nus.edu.sg

Abstract

Metal Organic Frameworks (MOFs) are undoubtedly among the most on-going and exciting materials for both energy conversion and energy storage applications. There is a huge number of them, including perfect MOFs, defective- and quasi-MOFs, and they exhibit extra high surface areas, tunable internal structures, and they can be both pre- and post-synthesis manipulated for almost whatever applications that are designed for them. Over the past decades, we have been exploring various new MOFs (also COFs) for applications in electrocatalysis, photocatalysis, various batteries (Lithium-sulfur, Zn aqueous and all solid-state batteries). In addition to MOFs and COFs themselves, we have also explored several classes of MOFs- tailored materials with better performance in energy conversion and energy storage applications, for example, including defective MOFs, quasi- and post-MOFs. In this talk, I will present several approaches that are aiming at better designing and fabricating new MOFs, their derivatives (e.g., defective and quasi-MOFs) for electrocatalysts, MOF-based electrolytes and cathode materials, together with key understandings that have been made so far. There are also several unsolved issues with them, especially in association with the formation, stability and service performance of these MOF-based/tailored materials, which will be highlighted in this presentation. 

ULTRAFAST DYNAMICS OF CATALYTIC REACTION IN QUANTUM MATERIALS

Chih-Wei Luo^a,b*

^aDepartment of Electrophysics, Institute of Physics and Center for Emergent Functional Matter Science, National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan

^bNational Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan

*Corresponding author: cwluoep@nycu.edu.tw

Abstract

Recently, the great economic and environmental interest in producing clean fuel and chemicals through water splitting or solar-driven CO2 reduction has been promoted worldwide, practically using 2D layered materials. In this talk, I will take the MoS₂ and CuInP₂S₆ as examples of the hydrogen evolution reaction (HER) and photocatalytic CO₂ reduction. Because of the ultrathin nature of 2D transition metal dichalcogenides (TMDs) catalysts, the buildup of electrolyte ions across the nanometer-scale electrochemical double layer (ECDL) may cause the formation of excitons and trions in monolayer (ML)-MoS₂ during HER, similar to those observed in gate-controlled FET devices^1,2. Using the distinct carrier relaxation dynamics of excitons and trions as sensitive descriptors, an in-situ micro-cell-based ultrafast time-resolved liquid cell microscopy (TR-LCM) is set up to simultaneously probe the ultrafast carrier dynamics and electrochemical reactions at ML-MoS₂ catalyst during HER process³. It is found that the whole surface of MoS₂ becomes “trion-dominant” as the potential is at HER-on state while it becomes “exciton-dominant” as the potential is at HER-off state. Through 2D mapping image on the evolution of the individual constituents of excitons and trions on ML MoS₂ surface during HER, the interplay between exciton/trion dynamics and electrocatalytic activity of ML MoS₂ affected by electrolyte gating during HER process can be unequivocally revealed. This in-situ probing technique provides an excellent platform to explore carrier behaviors at the atomic layer/liquid electrolyte interfaces during the electrocatalytic reaction of 2D TMDs. Moreover, we also investigate the substantial influence of ferroelectric polarization on the photocatalytic CO₂ reduction efficiency, utilizing the ferroelectric-paraelectric phase transition and polarization alignment through electrical poling, and unveil its underlying mechanism by pump-probe spectroscopy⁴ . These findings pave the way for manipulating electronic polarizations regulated through ferroelectric or magnetic modulations in 2D layered materials to advance the efficiency of photocatalytic CO₂ reduction.

Keywords: hydrogen evolution reaction, photocatalytic CO₂ reduction, ultrafast dynamics,

References

1.   Mouri, S.; Miyauchi, Y.; Matsuda, K. Nano Lett. 2013, 13, 5944−5948.

2.   Ross, J. S.; Wu, S.; Yu, H.; Ghimire, N. J.; Jones, A. M.; Aivazian, G.; Yan, J.; Mandrus, D. G.; Xiao, D.; Yao, W.; Xu, X. Nat. Commun. 2013, 4, 1474.

3.   Hsiao, F. H.; Chung, C. C.; Chiang, C. H.; Feng, W. N.; Tzeng, W. Y.; Lin, H. M.; Tu, C. M.; Wu, H. L.; Wang, Y. H.; Woon, W. Y.; Chen, H. C.; Chen, C. H.; Lo, C. Y.; Lai, M. H.; Chang, Y. M.; Lu, L. S.; Chang, W. H.; Chen, C. W.; Luo, C. W. ACS Nano 2022, 16, 4298-4307.

4.   Chiang, C.-H.; Lin, C.-C.; Lin, Y.-C.; Huang, C.-Y.; Lin, C.-H.; Chen, Y.-J.; Ko, T.-R.; Wu, H.-L.; Tzeng, W.-Y.; Ho, S.-Z.; Chen, Y.-C.; Ho, C.-H.; Yang, C.-J.; Cyue, Z.-W.; Dong, C.-L.; Luo, C.-W.; Chen, C.-C.; Chen, C.-W. J. Am. Chem. Soc. 2024, 146, 23278– 23288.

CARRIER AND MASS TRANSPORT AT THE ELECTROLYTE INTERFACE

Zheng Liu^a,*

^aNanyang Technological University, Singapore 639798

*Corresponding author:z.liu@ntu.edu.sg

Abstract

Achieving sustainable energy requires advancements in both green energy production and energy efficiency. This presentation addresses carrier and mass transport phenomena at the electrolyte interface to improve the performance of electrocatalysts for sustainable energy conversion. We first examine the semiconductor-electrolyte interface using two-dimensional (2D) materials as model systems. Conventional Schottky-junction models fail to explain high carrier accumulations in ultrathin semiconductor catalysts. Inspired by ion-controlled electronics, we unveiled a universal "selfgating" phenomenon using in-situ microcell measurements. This clarifies electronic-conduction modulation during electrocatalysis and reveals a surface conductance mechanism: semiconductor type strongly correlates with activity. Secondly, to address mass transport limitations related to gas evolution at high current densities, we introduce an innovative on-chip microcell-based TIRF platform to investigate nanobubble nucleation dynamics on graphene-supported Pt films. A key strategy involves incorporating interfacial metal layers (IMLs) to regulate bubble nucleation. The introduction of a titanium (Ti) IML triggers delocalized nanobubble evolution (DNE), where nanobubbles form on both the Pt sites and graphene support. DFT calculations show Ti promotes electron transfer, lowering the hydrogen spillover barrier, and facilitating hydrogen migration to the graphene support. Furthermore, microcell measurements demonstrate enhanced HER for Pt-Ti-graphene, attributed to DNE. These results highlight the significance of carrier transport, mass transport, and novel material designs in developing advanced electrocatalysts for sustainable energy.

Keywords: 2D materials, mass transport, electrolyte interface 

References

1.     Yongmin He, et al., Self-gating in semiconductor electrocatalysis, Nature Materials 2019, 18, 1098.

2.     Yongmin He, et al., Amorphizing noble metal chalcogenide catalysts at the single-layer limit towards hydrogen production, Nature Catalysis 2022, 5, 212.

3.     Shasha Guo, et al., Nanoscale Identification of Local Strain Effect on TMD Catalysis, JACS 2024 146, 31920.

4.     Shasha  Guo,  et   al.,  Separating  nanobubble  nucleation  for   transfer-resistance-free electrocatalysis, Nature Communications 2025, 16, 919.

IN-SITU RAMAN PROBING ELECTROCHEMICAL REACTIONS

Jian-Feng Li^a,*

^aDepartment of Chemistry, Xiamen University, Xiamen 361005, China

*Corresponding author: Li@xmu.edu.cn

Abstract

Understanding the fundamental reaction mechanism and the structure-activity relationship at electrochemical interfaces is essential for developing electrochemistry and electrocatalysis. Such fundamental understanding is strongly dependent on the surface molecular information of the species at the electrochemical interfaces, especially those acquired under working conditions. Surface-enhanced Raman spec-troscopy (SERS) can provide such information with ultrahigh surface sensitivity. However, only a few metals (like Au, Ag, and Cu) with particular nanostructures can generate strong SERS effects. This mate-rial and morphology limitation has greatly hindered the applications of SERS in probing electrochemical reactions.

To overcome the long-standing limitations, we developed various strategies, including the “borrowing” strategy, shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS), and SHINERSsatellite strategy, through the fabrication of plasmonic core-shell nanostructures, allowing in-situ SERS studies at electrochemical interfaces. Using these strategies, the dynamic process of electrocatalytic reactions, such as oxygen reduction reaction (ORR), hydrogen oxidation reaction (HOR), hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and CO₂ reduction reaction (CO₂RR), etc., occurring on model single crystal surfaces or practical nanocatalysts have been systematically investigated. Direct spectroscopic evidence for the key intermediates, such as *OH, *OOH, and *O_2-, as well as interfacial water structure, during reactions has been obtained, which is combined with theoretical simulations to uncover the reaction mechanisms or structure-activity at a molecular level.

Keywords: SERS, in-situ, electrochemistry, interfacial water, reaction intermediates

References

1.   Li, J. F.; Wang, Z. L.; Tian, Z. Q. et al. Nature 2010, 492, 392-395.

2.   Wang, Y. H.; Pan, F.; Li J. F. et al. Nature 2021, 600, 81-85.

3.   Dong, J.; Feliu, J.; Li J. F. et al. Nature Energy 2019, 4, 60-67.

TOWARDS PRECISION CONTROL OF CHEMICAL REACTIONS ON METAL SURFACES FOR GREEN CHEMISTRY

Nanfeng Zheng^a,b*

^aCollege of Chemistry and Chemical Engineering, State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, 361005,China

^bInnovation Laboratory for Sciences and Technologies of Energy Materials of Fujian Province (IKKEM), Xiamen 361102, China

*Corresponding author: nfzheng@xmu.edu.cn

Abstract

The surface and interface of solids is the place where many chemical reactions take place. How to achieve precise control of chemical reactions at solid surfaces and interfaces is a long-term challenge in heterogeneous catalysis. Although surface modification has been well documented as an important means to optimize heterogeneous catalysts, the mechanistic understanding of how surface modification manipulates heterogeneous catalysis is still severely lacking. In this presentation, we will discuss our ongoing research efforts to understand how the organic/inorganic coordinative species on metal surfaces manipulate their catalytic properties. Based on the development of new methods to construct model metal materials to resolve the molecular level structures of typical metal-organic and metal-support interfaces, we elucidate the molecular mechanisms of related interfaces in catalysis from the perspective of coordination chemistry. The understanding has been successfully applied to optimize the chemical properties of metal nanomaterials for green chemistry. The coupling of the developed techniques with renewable electricity will be discussed too.

Keywords: surface and interface coordination chemistry, Selective hydrogenation, hydrogen economy

References

1.   Qiao, M.; Wu, Q.; Wang, Y.; Gao, S.; Qin, R.; Liu, S.; Ding, K.; Zhao, D.; Zheng, N. Chem 2024, 10, 3385-3395.

2.   Wu, Q.; Su, W.; Huang, R.; Shen, H.; Qiao, M.; Qin, R.; Zheng, N. Angew. Chem. Int. Ed. 2024, 63, e202408731.

3.   Liu, K.; Qin, R.; Zheng, N. J. Am. Chem. Soc. 2021, 143, 4483-4499.

4.   Hu, C.; Zhao, Z.; Wang, W.; Zou, W.; Liu, S.; Fang, X.; Su, X.; Zheng, N. Joule 2025, 9, 101807.

5.   Tao, H. B.; Liu, H.; Lao, K.; Pan, Y.; Tao, Y.; Wen, L.; Zheng, N. Nat. Nanotechnol. 2024, 19, 1074-1076.

CHEMINFORMATICS DRIVING SUSTAINABLE SOLUTIONS: INTEGRATING MOLECULAR MODELING AND SIMULATIONS, AI, AND QUANTUM COMPUTING IN HEALTHCARE, ENERGY, AND ENVIRONMENTAL SCIENCES

Vannajan Sanghiran Lee

Department of Chemistry, Center of Excellence for Quantum Information Science and Technology (QIST), Faculty of Science, University Malaya, Kuala Lumpur 50603, Malaysia and

Center of Excellence in Structural and Computational Biology, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand.

Corresponding author: vannajan@um.edu.my, vannajan@gmail.com

Abstract

Cheminformatics, the integration of computational techniques to address chemical challenges, is rapidly evolving through its fusion with artificial intelligence (AI), machine learning (ML), and quantum computing. This interdisciplinary convergence is accelerating breakthroughs across healthcare, energy, and environmental sectors, where complex molecular systems demand advanced modeling and simulation.

In healthcare, AI-driven cheminformatics enables high-throughput virtual screening, QSAR modelling, and predictive analytics for drug discovery. Molecular dynamics (MD) simulations provide detailed insights into biomolecular interactions and thermodynamic stability, while quantum computing simulates molecular structures and reaction pathways with high accuracy, advancing drug design and precision medicine. In the energy sector, these technologies streamline the design of advanced materials for batteries, fuel cells, and catalysts. AI and cheminformatics optimize compound identification, while MD simulations reveal ion diffusion and transport mechanisms, with quantum simulations deepening our understanding of electron transfer and energy conversion processes. In environmental science, AI and cheminformatics facilitate modelling of pollutants and risk assessment, while MD simulations model molecular transport, and quantum chemistry aids in predicting degradation pathways, supporting the design of effective remediation strategies.

This keynote will explore how the synergy of cheminformatics, molecular modelling and simulations, AI, and quantum computing is advancing scientific discovery, aligning with global sustainability goals, and offering transformative solutions for healthcare, energy, and environmental challenges.

Keywords: Cheminformatics, Molecular modelling and simulations, Artificial intelligence (AI), Quantum technology, Sustainable innovation

STRUCTURING STUDENT LEARNING EXPERIENCES AND DEVELOPING SKILLS: ALIGNING OUTCOMES, ACTIVITIES, AND ASSESSMENT

Renée Cole*

University of Iowa

*Corresponding author: renee-cole@uiowa.edu

Abstract

There is a clear need to help students become more proficient in skills and science practices that will strengthen the workplace and ultimately help solve worldwide challenges in energy, food, technology, and the environment. While the development of these skills is often a general goal for courses and programs, the cultivation of these skills is seldom explicitly discussed or assessed in the classroom. By ensuring that learning outcomes, assessments, and instructional actions are aligned, instructors provide students with coherent curricular opportunities to develop their knowledge and skills and increase the likelihood that instructional actions are appropriate to achieving the desired learning outcomes. Constructive alignment that supports achievement of skills and science practices requires appropriate tasks designed to engage students and approaches to assessment that provide information to both students and instructors on the skill/practice in addition to the “correctness” of the result. The types of assessment used by an instructor also telegraph to students what is valued in a course. However, in many instances, the lack of alignment between instructional methods and assessment detracts from the added value of engaged student learning environments. Our work has included both the analysis of typical practice, outcomes of professional development designed to support evidence-based instructional practices, and the creation of rubrics designed to assess and provide feedback on skills and science practices.^1-3 We have used Marzano’s taxonomy to characterize instructional tasks from a variety of contexts and have extended this work to analyze classroom discourse to investigate how task design can influence student engagement.^4-5 This work provides insights into how instructors can design and align course components to develop more effective learning environments.

Keywords: Curriculum design, Assessment, Professional Skills, Science Practices

References

1. Van Wyk, A.; Bhinu, A.; Frederick, K.; Lieberman, M.; Cole, R. J. Chem. Educ., 2025, 102, 970-983.

2. Kreps, A.; Brown, I.; Wenzel, T.; Cole, R. J. Chem. Educ. 2024, 101, 4603-4613.

3. Czajka, D.; Reynders, G.; Stanford, C.; Cole, R.; Lantz, J.; Ruder, S. J. Coll. Sci. Teach. 2021, 50, 48-56.

4. Nennig, H.; States, N.; Macrie-Shuck, M.; Fateh, S.; Zubeyde, D.K.G.; Cole, R.; Rushton, G.; Shaw, L.; Talanquer, V. Chem. Educ. Res. Pract. 2023, 24, 1077-1099.

5. Reid, J.; Zubeyde, D.K.G.; Fateh, S.; Fatima, A.; Macrie-Shuck, M.; Nennig, H.; Quintanilla, F.; States, N.; Syed, A.; Cole, R.; Rushton, G.; Shaw, L.; Talanquer, V. Chem. Educ. Res. Pract. 2022, 23, 173-188.

EXPLORING THE POTENTIAL OF VIRTUAL REALITY TO HELP STUDENTS LEARN CHEMICAL CONCEPTS

Mauro Mocerino^a*, Henry Matovu^b, Dewi Ayu Kencana Ungu^c, Mihye Won^d, David Treagust^e, Ricardo Bruno Hernandez-Alvarado^e, Roy Tasker^f, Chin-Chung Tsai^g

^aScience and Engineering, Curtin University, Australia

^bScience, University of Sydney, Australia

^cEducation, Nanyang Technological University, Singapore

^dEducation, Monash University, Australia

^eEducation, Curtin University, Australia

^fScience, Western Sydney University, Australia

^gEducation, National Taiwan Normal University, Taiwan

*Corresponding author: m.mocerino@curtin.edu.au

Abstract

Immersive virtual reality (iVR) offers a powerful educational tool, enabling students and researchers to explore virtual environments that are either inaccessible or difficult to access in the real world. In chemistry education, iVR provides an opportunity to visualize and interact with molecular structures at a level of detail that would be impossible in a traditional classroom. Beyond chemistry, iVR has been applied across a range of disciplines such as astronomy, geology, biology, and medicine. However, the full educational potential of immersive VR remains underexplored.¹ We have developed three immersive VR activities where students actively assemble and explore molecular structures to understand molecular shape, polarity, and intermolecular forces. In these iVR activities, students collaborate and navigate the shared virtual environment to address big questions such as "Why do snowflakes have hexagonal symmetry?" and "Why does D-phenylalanine taste sweet?"and "Why are enzymes such good catalysts?" In this presentation, we will describe the VR learning activities we have developed and share some evaluations of their effectiveness.

Keywords: Immersive virtual reality, Intermolecular forces, H-bonding, Collaborative learning, 

References

1.   Matovu, H., Ungu, D. A. K., Won, M., Tsai, C.-C., Treagust, D. F., Mocerino, M., & Tasker, R., Immersive virtual reality for science learning: Design, implementation, and evaluation. Studies in Science Education, 2023, 59(2), 205–244. https://doi.org/10.1080/03057267.2022.2082680

2.   Matovu, H., Won, M., Treagust, D. F., Ungu, D. A. K., Mocerino, M., Tsai, C.-C., & Tasker, R., Change in students' explanation of the shape of snowflakes after collaborative immersive virtual reality. Chemistry Education Research and Practice, 2022, 24(2), 509–525. https://doi.org/10.1039/D2RP00176D

3.   Matovu, H., Won, M., Tasker, R., Mocerino, M., Treagust, D. F., Ungu, D. A. K., & Tsai, C.-C., ‘‘It is not just the shape, there is more’’: Students’ learning of enzyme–substrate interactions with immersive virtual reality. Chemistry Education Research and Practice. 2024, https://doi.org/10.1039/d4rp00210e 

APPLYING PREQUESTIONING AS A LEARNING STRATEGY

Fun Man Fung*^a, Steven C. Pan^b

^aUniversity College Dublin, Ireland

^bNational University of Singapore, Singapore

^*Corresponding author: funman.fung@ucd.ie

Abstract

Prequestioning is a learning strategy where students take practice tests on upcoming material and then review the correct answers. While effective in lab studies, it has rarely been tested in real classrooms. In this study, we applied prequestioning as an interactive, hands-on activity in a small undergraduate environmental chemistry course. Over 10 lecture sessions, the instructor gave four prequestions on concepts for the next lecture, allowing students to guess answers before revealing the correct ones. Assessments in the following session showed a prequestioning effect, with stronger performance on prequestioned concepts compared to non-prequestioned ones in most cases. This benefit highlights prequestioning’s potential as a practical and cost-effective method for enhancing learning in undergraduate chemistry and similar courses.

Keywords:

Learning Strategy, Prequestioning, Pretesting, Environmental Chemistry, Retrieval Practice

References

1.     Pan, S. C.; Han, J. Y.; Fung, F. M. Using Prequestioning as a Hands-On Activity to Support Undergraduate Student Learning. J. Chem. Educ. 2025, ASAP. https://doi.org/10.1021/acs.jchemed.4c01405

2.     Fung, F. M. Application of Learning Sciences to Improve Performance in Chemistry. In 10

Things You Must Know about the International Chemistry Olympiad (ICHO): A Guide to the

IChO Competition: Revised Edition (pp. 81-104). 2023, World Scientific Publishing Co.

https://doi.org/10.1142/9789811217388_0003

3.     Pan, S. C.; Carpenter, S. K. Prequestioning and Pretesting Effects: A Review of Empirical Research, Theoretical Perspectives, and Implications for Educational Practice. Educ Psychol Rev. 2023, 35 (4), 97.  https://link.springer.com/article/10.1007/s10648-023-09814-5

PROBLEM SOLVING AT THE INTERFACE OF CHEMISTRY AND MATHS – COGNITIVE AND EPISTEMIC CHALLENGES

Sofie Ye^a, Maja Elmgren^a, Magnus Jacobsson^b, Felix M. Ho^a,*

^aDepartment of Chemistry – Ångström Laboratory, Uppsala University, Sweden.

^bDepartment of Mathematics, Uppsala University, Sweden.

^*Corresponding author: felix.ho@kemi.uu.se

Abstract

Problem solving at the interface of mathematics and other scientific disciplines, including chemistry, presents significant challenges for students across a range of fields.¹ Beyond algorithmic mathematical manipulations, meaningful application and integration of chemical and mathematical knowledge at a conceptual level is essential for constructing models and theories that explain and predict chemical behaviour.^2-4 At a deeper level, the relationship between mathematics and other disciplines in science and engineering, as well as the application of mathematics in these fields, is a topic of research that has attracted increasing attention.⁵

Our recent research^3-4 investigating university chemistry students solving physical chemistry tasks that require varying degrees of integration between chemical and mathematical knowledge will be discussed in this presentation. Building on the mathematical modelling cycle⁶ and the resources framework,⁷ we developed the extended mathematical modelling cycle³ (below). It offers a more fine-grained account of the subprocesses that students engage in during the modelling, as well as the cognitive resources, both mathematical and non-mathematical, that they activate. While extra-mathematical input often refers primarily to non-mathematical disciplinary knowledge (such as chemical knowledge), our findings suggest that it also includes resources grounded in situational knowledge—knowledge about what is typical or appropriate in a given problem context.

In addition, our on-going work targeted at exploring the role of students’ epistemic framing during mathematisation in the context of unfamiliar chemical phenomena will be presented, revealing students’ struggles in making decisions where their expectations and understanding across disciplinary boundaries come into conflict. Questions concerning associated demands on the pedagogical content knowledge of instructors in their teaching practice will also be raised for consideration and discussion.

Keywords: Problem solving, physical chemistry, mathematical modelling, disciplinary interface

References

1.   Biza I.; Giraldo, V.; Hochmuth, R.; Khakbaz, A.S.; Rasmussen C. Research on Teaching and Learning Mathematics at the Tertiary Level. 2016, Springer International Publishing.

2.   Uhden, O.; Karam, R.; Pietrocola, M.; Pospiech, G. Sci. & Educ. 2012, 21, 485-506.

3.   Ye, S.; Elmgren, M.; Jacobsson, M.; Ho, F. M. Chem. Educ. Res. Prac. 2024, 25, 242-265.

4.   Ye, S.; Jacobsson, M.; Elmgren, M.; Ho, F. M. Chem. Educ. Res. Prac. 2025, 26, 377-397.

5.   Goos, M.; Carreira S.; Namukasa, I.K. ZDM – Math. Educ. 2023¸ 55, 1199-1217.

6.   Borromeo Ferri, R. ZDM – Math. Educ. 2006, 38, 86–95.

7.   Hammer, D.; Elby, A.; Scherr, R. E.; Redish, E. F. in Mestre, J.P. Transfer of Learning from a Modern Multidisciplinary Perspective. 2005, Information Age Publishing, 89–119.

IMPROVING THE PUBLIC PERCEPTION OF SCIENCE/CHEMISTRY THROUGH SIMPLE EXPERIMENTS CONNECTED WITH DAILY LIFE

Samita Maitra^a and Uday Maitra^b*

^aB.M.S. College of Engineering, Bangalore 560019, India.

^bIndian Institute of Science, Bangalore 560012, India

*maitra@iisc.ac.in

Abstract

Among high school students, interest in studying natural sciences in general, and in chemistry in particular has been facing a challenge during the past two decades. This issue seems to be a global one. While the reasons are manifold, we believe that the importance of applied science cannot be realized unless a sizable proportion of students pursue higher studies in natural science. To increase awareness in science and chemistry, I have been actively interacting with school children, college students and the public during the past two decades. This is accomplished through lectures, videos and hands-on experiments that connect directly or indirectly to real life. The level of the experiments, and the language used for the explanation are always tailored to the target audience, which works out very well. Currently we both are working together as the number of experiments that are covered during these awareness programs has increased on popular demand. Demonstrating experiments in real time in front of numerous curious students is exciting and each time their enthusiasm is contending. Our recent 5- day workshop for 9th grade school children who were given hands-on training on the use of readily available ingredients to understand fundamental principles of chemistry made us motivated. While we do not have any quantitative data, we invariably get very positive feedback from the students, at times several years later! In this lecture, we will share our experiences and highlight the importance of choosing relevant experiments and appropriate communication to improve the understanding of science among nonscientific groups.

Keywords: science communication; experimental demonstration;