Department of Chemistry

Kharchenko, A. et al. (2025) ‘Methylene‐Bridged Calixarene Polyhedra: An Elusive Class of Symmetric Molecular Architectures’, Helvetica Chimica Acta [Preprint]. Available at: https://doi.org/10.1002/hlca.202500177.

Li, Zhong et al. (2025) ‘Short-Circuiting the SAM-Cycle in Escherichia coli’, Journal of the American Chemical Society. 11.12.2025, p. Online ahead of print–Online ahead of print. Available at: https://doi.org/10.1021/jacs.5c17370.

Hutskalova, Valeriia and Sparr, Christof (2025) ‘Synthesis of Biphenanthrene Natural Products by Atroposelective Aromatic Ring‐Opening Metathesis’, Helvetica Chimica Acta. 08.12.2025, p. Online ahead of print––. Available at: https://doi.org/10.1002/hlca.202500210.

Yin, Cangtao et al. (2025) ‘Photodissociation dynamics of energized H2COO: Formation of molecular products’, Journal of Chemical Physics. 02.12.2025, 163(21). Available at: https://doi.org/10.1063/5.0293294.

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Andreichev, V. et al. (2025) ‘Dynamics of protonated oxalate from machine-learned simulations and experiment: infrared signatures, proton transfer dynamics and tunneling splittings’, 27. Available at: https://doi.org/10.1039/d5cp03085d.

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Brändlin, M., Pfund, B. and Wenger, O.S. (2025) ‘Photoinduced double charge accumulation in a molecular compound’, 17. Available at: https://doi.org/10.1038/s41557-025-01912-x.

Brändlin, M., Himmelreich, F.A. and Wenger, O.S. (2025) ‘Molecular Design Principles for Achieving High-Efficiency Light-Induced Charge Separation at the Nanometer Scale’, 5. Available at: https://doi.org/10.1021/jacsau.5c01092.

Hamaguchi, Rei et al. (2025) ‘Programmable Artificial-Cellular Membrane Dynamics via Ring-Closing Metathesis’, Journal of the American Chemical Society. 15.10.2025, 147(43), pp. 39204–39211. Available at: https://doi.org/10.1021/jacs.5c10187.

Yang, G. et al. (2025) ‘Unraveling the photoredox chemistry of a molecular ruby’, 16. Available at: https://doi.org/10.1039/d5sc05170c.

Anisovich, Kanstantsin and Tiefenbacher, Konrad (2025) ‘Solvophobic Effect-Driven C4-Selective Oxidation of Alkyl Substrates by a Macrocyclic Supramolecular Catalyst’, ChemRxiv [Preprint]. Cambridge University Press (ChemRxiv). Available at: https://doi.org/10.26434/chemrxiv-2025-tm40m.

Lu, Yiheng and Tiefenbacher, Konrad (2025) ‘Rapid Access to Supramolecular C–H Oxidation Catalysts via Convergent Synthesis’, ChemRxiv [Preprint]. Cambridge University Press (ChemRxiv). Available at: https://doi.org/10.26434/chemrxiv-2025-djd5g.

Declerck, Kilian et al. (2025) ‘Harnessing the Dynamic Nature of a Zirconium-Oxo Nanocluster for Reversible Protein Capture and Proteolysis’, Angewandte Chemie International Edition. 14.08.2025, 64. Available at: https://doi.org/10.1002/anie.202512482.

Boittier, E.D., Käser, S. and Meuwly, M. (2025) ‘Roadmap to CCSD(T)-Quality Machine-Learned Potentials for Condensed Phase Simulations’, 21. Available at: https://doi.org/10.1021/acs.jctc.5c01085.

Sun, Yang et al. (2025) ‘Engineering Mechanostable Anticalin Scaffolds to Enhance Particle Adhesion and Targeting of CTLA‐4 Under Shear Stress’, Angewandte Chemie. 02.06.2025, 137(38). Available at: https://doi.org/10.1002/ange.202504483.

Vornholt, Tobias et al. (2025) ‘Of Revolutions and Roadblocks: The Emerging Role of Machine Learning in Biocatalysis’, ACS Central Science. 15.09.2025, 11(10), pp. 1828–1838. Available at: https://doi.org/10.1021/acscentsci.5c00949.

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Kueng, Christoph et al. (2025) ‘Discovery of Electron Hole-hopping Redox Mutations in Myoglobin by Deep Mutational Learning’, bioRxiv [Preprint]. Cold Spring Harbor Laboratory (bioRxiv). Available at: https://doi.org/10.1101/2025.08.27.672588.

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Chacktas, G. et al. (2025) ‘Evidence of Spin-Forbidden Excitation of [Ru(bpy) 3 ] 2+ and Application in Red-Light-Driven Photocatalysis’, ACS Catalysis, 15(16), pp. 13938–13947. Available at: https://doi.org/10.1021/acscatal.5c04437.

Zhang, Xiang et al. (2025) ‘Repurposing haemoproteins for asymmetric metal-catalysed H atom transfer’, Nature, 644(8076), pp. 381–390. Available at: https://doi.org/10.1038/s41586-025-09308-0.

Wellauer, J. et al. (2025) ‘Rethinking the Excited-State Redox Properties of Iron(III) Complexes for LMCT Photoredox Catalysis’, 147. Available at: https://doi.org/10.1021/jacs.5c08841.

Yaltseva, P. et al. (2025) ‘Structural Control of Metal-Centered Excited States in Cobalt(III) Complexes via Bite Angle and π–π Interactions’, 147. Available at: https://doi.org/10.1021/jacs.5c09616.

Unniram Parambil, Ajmal Roshan et al. (2025) ‘M6O8 metal oxo clusters: a key structural motif across the periodic table’, Zenodo. (Zenodo). Available at: https://doi.org/10.5281/zenodo.15771435.

Morselli, G. et al. (2025) ‘Pushing the Thermodynamic and Kinetic Limits of Near-Infrared Emissive CrIII Complexes in Photocatalysis’, 147. Available at: https://doi.org/10.1021/jacs.5c08541.

Chaton, Kham Lek and Meuwly, Markus (2025) ‘Enhancing Empirical Energy Functions Using Physics‐ and Machine Learning‐Based Extensions: Structure, Dynamics and Spectroscopy of Modified Benzenes’, Journal of Computational Chemistry. 02.08.2025, 46(21). Available at: https://doi.org/10.1002/jcc.70162.

Vazquez-Salazar, Luis Itza and Meuwly, Markus (2025) ‘Augmenting Chemical Databases for Atomistic Machine Learning by Sampling Conformational Space’, Journal of Chemical Information and Modeling. 04.08.2025, 65(16), pp. 8563–8578. Available at: https://doi.org/10.1021/acs.jcim.5c00752.

Pfund, B. and Wenger, O.S. (2025) ‘Breaking Kasha’s Rule to Enable Higher Reactivity in Photoredox Catalysis’, 147. Available at: https://doi.org/10.1021/jacs.5c06115.

Jiang, Y. et al. (2025) ‘Unexpected Activities of CYP152 Peroxygenases Toward Non-carboxylic Substrates Reveal Novel Substrate Recognition Mechanism and Catalytic Versatility’, Angewandte Chemie - International Edition, 64(31). Available at: https://doi.org/10.1002/anie.202506614.

Horn, Karl P. et al. (2025) ‘Feshbach Resonances in Cold Collisions: Benchmarking State-of-the-Art Ab Initio Potential Energy Surfaces’, Journal of Physical Chemistry Letters. 27.07.2025, 16, pp. 7862–7867. Available at: https://doi.org/10.1021/acs.jpclett.5c01581.

Yin, Cangtao et al. (2025) ‘End-to-End Photodissociation Dynamics of Energized H₂COO’, Arxiv [Preprint]. Cornell University (Arxiv). Available at: https://doi.org/10.48550/arXiv.2507.18964.

Stuyver, Thijs et al. (2025) ‘What Can be Learned From the Electrostatic Environments Within Nitrogenase Enzymes?’, Chemistry – A European Journal. 17.07.2025, 31(40). Available at: https://doi.org/10.1002/chem.202501616.

Sun, Yang et al. (2025) ‘Enzyme-responsive Hemostatic Elastin-like Polypeptides for Fibrin Stabilization and Enhanced Coagulation in Thrombocytopenia’, bioRxiv [Preprint]. Cold Spring Harbor Laboratory (bioRxiv ). Available at: https://doi.org/10.1101/2025.07.11.664375.

Vanella, Rosario et al. (2025) ‘Decoding Substrate Specificity in a Promiscuous Biocatalyst by Enzyme Proximity Sequencing’, BioRxiv [Preprint]. Cold Spring Harbor Laboratory (BioRxiv). Available at: https://doi.org/10.1101/2025.07.10.664162.

Seno, Carlotta et al. (2025) ‘From Kinetics to Molecular-Level Insights into Group 4 Metal Oxide Nanocrystal Synthesis’, ACS Materials Au. 29.05.2025, 5(4), pp. 709–717. Available at: https://doi.org/10.1021/acsmaterialsau.5c00032.

Hauser, Peter C. and Kubáň, Pavel (2025) ‘Contactless Conductivity Detection for Capillary Electrophoresis—Developments From 2020 to 2024’, Electrophoresis, 46. Available at: https://doi.org/10.1002/elps.202400217.

Li, Xiao-Yu and Sparr, Christof (2025) ‘Stereoselective total synthesis of skew-tetramantane, diamond’s chiral core’, ChemRxiv [Preprint]. American Chemical Society (ACS) (ChemRxiv). Available at: https://doi.org/10.26434/chemrxiv-2025-bp807.

Cornu, Ivan et al. (2025) ‘Expanding Meroterpenoid Chemical Space Via Intermolecular Trapping of Cationic Cyclization Intermediates’, JACS Au. 27.06.2025, 5(7), pp. 3021–3026. Available at: https://doi.org/10.1021/jacsau.5c00492.

Huh, Soohee et al. (2025) ‘A C–H Arylation-Based Enantioselective Synthesis of Planar Chiral Cyclophanes’, Angewandte Chemie - International Edition, 64(26). Available at: https://doi.org/10.1002/anie.202500653.

Käser, Silvan, Richardson, Jeremy O. and Meuwly, Markus (2025) ‘Transfer Learning for Predictive Molecular Simulations: Data-Efficient Potential Energy Surfaces at CCSD(T) Accuracy’, Journal of Chemical Theory and Computation. 20.06.2025, 21(13), pp. 6633–6643. Available at: https://doi.org/10.1021/acs.jctc.5c00523.

Slanska, Michaela et al. (2025) ‘Biotin-Independent Saccharomyces cerevisiae with Enhanced Growth: Engineering an Acetyl-CoA Carboxylase Bypass’, ACS Synthetic Biology. 02.06.2025, 14(6), pp. 2162–2169. Available at: https://doi.org/10.1021/acssynbio.5c00082.

Wang, JingChun et al. (2025) ‘High-Energy Reaction Dynamics of O₃’, Arxiv [Preprint]. Cornell University (Arxiv). Available at: https://doi.org/10.48550/arXiv.2506.06088.

Jiang, Y., Li, Z. and Li, S. (2025) ‘Superoxide-mediated O2 activation drives radical cyclization in ergot alkaloid biosynthesis’, Engineering Microbiology, 5(2). Available at: https://doi.org/10.1016/j.engmic.2025.100207.

Pokratath, Rohan et al. (2025) ‘Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis’, Journal of Applied Crystallography. 04.04.2025, 58(Pt 3), pp. 688–695. Available at: https://doi.org/10.1107/s1600576725001761.

Weegen, M. et al. (2025) ‘Experimental implementation of an ion-nanowire hybrid system’, Review of Scientific Instruments. 18.06.2025, 96(6). Available at: https://doi.org/10.1063/5.0260410.

Wu, Feng-Jie et al. (2025) ‘Activation dynamics traced through a G protein–coupled receptor by 81 1 H- 15 N NMR probes’, Science, 388(6748). Available at: https://doi.org/10.1126/science.adq9106.

Mishra, Amit et al. (2025) ‘Isomer-selective dissociation dynamics of 1,2-dibromoethene ionised by femtosecond-laser radiation’, Physical Chemistry Chemical Physics. 13.05.2025, 27(22), pp. 11570–11576. Available at: https://doi.org/10.1039/d5cp01256b.

Musile, Giacomo, Boillat, Marc-Aurèle and Hauser, Peter C. (2025) ‘An in-house made autosampler for capillary electrophoresis’, Analytica Chimica Acta. 21.02.2025, 1350. Available at: https://doi.org/10.1016/j.aca.2025.343835.

Rutsch, Matteo Enrico and Yao, Yang (2025) ‘Structure and dynamics of phytantriol-glycerol mesophases: insights into the reverse micelle to lamellar phase transition’, Journal of Physics Condensed Matter. 10.03.2025, 37(18). Available at: https://doi.org/10.1088/1361-648x/adbeae.

Küng, C. et al. (2025) ‘Deep mutational scanning reveals a de novo disulfide bond and combinatorial mutations for engineering thermostable myoglobin’, 34. Available at: https://doi.org/10.1002/pro.70112.

Rybakova, Olga et al. (2025) ‘Photocleavable Porphyrin Derivatives for Quantum Optics’, Helvetica Chimica Acta. 26.03.2025, 108(5). Available at: https://doi.org/10.1002/hlca.202500022.

Budeev, Anton, Bon, Corentin and Sparr, Christof (2025) ‘Synthesis of phosphorothioates by photocatalytic sulfur transfer from thiosulfate’, ChemRxiv [Preprint]. American Chemical Society (ACS) (ChemRxiv). Available at: https://doi.org/10.26434/chemrxiv-2025-fbzh5.

Lu, Xinyan et al. (2025) ‘Exploring the Potential of Homologous Recombination Protein PALB2 in Synthetic Lethal Combinations’, ACS Chemical Biology. 29.04.2025, 20(5), pp. 1099–1106. Available at: https://doi.org/10.1021/acschembio.5c00111.

Muthwill, Moritz et al. (2025) ‘Solid-Supported Polymer Membranes: How Different Deposition Methods Influence Their Inner Morphology and Properties’, Langmuir. 23.04.2025, 41(17), pp. 10893–10907. Available at: https://doi.org/10.1021/acs.langmuir.5c00105.

Fernández de Santaella, Jaime et al. (2025) ‘Amber Codon Mutational Scanning and Bioorthogonal PEGylation for Epitope Mapping of Antibody Binding Sites on Human Arginase-1’, ACS Chemical Biology. 01.04.2025, 20(4), pp. 791–801. Available at: https://doi.org/10.1021/acschembio.4c00692.

Hölter, N. et al. (2025) ‘Phenothiazine Sulfoxides as Active Photocatalysts for the Synthesis of γ-Lactones’, 147. Available at: https://doi.org/10.1021/jacs.5c01988.

Morselli, G., Reber, C. and Wenger, O.S. (2025) ‘Molecular Design Principles for Photoactive Transition Metal Complexes: A Guide for “Photo-Motivated” Chemists’, 147. Available at: https://doi.org/10.1021/jacs.5c02096.

Tarvirdipour, Shabnam et al. (2025) ‘Enhanced antimicrobial protection through surface immobilization of antibiotic-loaded peptide multicompartment micelles’, Journal of Materials Chemistry B. 09.04.2025, 13(18), pp. 5365–5379. Available at: https://doi.org/10.1039/d5tb00246j.

Volosheniuk, Serhii et al. (2025) ‘Enhancing thermoelectric output in a molecular heat engine utilizing Yu-Shiba-Rusinov bound states’, Nature Communications. 06.04.2025, 16. Available at: https://doi.org/10.1038/s41467-025-58645-1.

Li, Tian-Ren et al. (2025) ‘Tetrafluororesorcin[4]arene Hexameric Capsule Enables the Expansion of the Reactivity Space in Supramolecular Catalysis’, Journal of the American Chemical Society. 05.02.2025, 147(13), pp. 11108–11116. Available at: https://doi.org/10.1021/jacs.4c17029.

Matt, A., Prescimone, A. and Häussinger, D. (2025) ‘NMR Investigation of Lanthanoid (III) Complexes of bbppn (H2bbppn: N,N’-bis(2-hydroxybenzyl)-N,N’-bis(2-methylpyridyl)propylene-1,2-diamine)’, Helvetica Chimica Acta, 108(4). Available at: https://doi.org/10.1002/hlca.202400177.

Sevarika, Boris et al. (2025) ‘Mannose-6-phosphate-PEG-lipid conjugates improve liposomal uptake’, European Journal of Pharmaceutics and Biopharmaceutics. 20.02.2025, 209. Available at: https://doi.org/10.1016/j.ejpb.2025.114665.

Cai, Pinwen et al. (2025) ‘A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase’, Chemical Science. 31.03.2025, 16(18), pp. 7730–7738. Available at: https://doi.org/10.1039/d5sc01251a.

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D’Addio, A. et al. (2025) ‘Series of Geländer oligomers with orthogonal rungs’, Chemical Science, 16(18), pp. 8092–8098. Available at: https://doi.org/10.1039/d4sc08179j.

Upadhyay, Meenu et al. (2025) ‘Reaction Dynamics of the H + HeH+ → He + H+2 System’, Arxiv [Preprint]. Cornell University (Arxiv). Available at: https://doi.org/10.48550/arXiv.2503.21196.

Sauter, Basilius et al. (2025) ‘Challenges and Opportunities in DNA Encoded Library Screens’, CHIMIA. 26.03.2025, 79(3), pp. 158–161. Available at: https://doi.org/10.2533/chimia.2025.158.

Heuberger, Lukas et al. (2025) ‘Polymeric Giant Unilamellar Vesicles Support Longevity of Native Nuclei in Protocells’, Small Science. 18.03.2025, 5(6). Available at: https://doi.org/10.1002/smsc.202400622.

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Wellauer, Joël et al. (2025) ‘Iron(III) Complexes with Luminescence Lifetimes of up to 100 ns to Enhance Upconversion and Photocatalysis’, Journal of the American Chemical Society, 147(10), pp. 8760–8768. Available at: https://doi.org/10.1021/jacs.4c18603.

Casas‐Rodrigo, Ivan et al. (2025) ‘Permeabilisation of the Outer Membrane of Escherichia coli for Enhanced Transport of Complex Molecules’, Microbial Biotechnology. 09.03.2025, 18(3). Available at: https://doi.org/10.1111/1751-7915.70122.

Fiorini, Luca et al. (2025) ‘Unusual Reaction of Isocyanides with Aromatic Aldehydes Catalyzed by a Supramolecular Capsule’, Chemistry - A European Journal. 23.12.2024, 31(14). Available at: https://doi.org/10.1002/chem.202404061.

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Harandi, Danial, Walsh-Korb, Zarah and Moradienayat, Monireh (2025) ‘CNCs and CeO2 as organic–inorganic additives to enhance HPC bio-polymer wood coatings against photochemical degradation’, Journal of Coatings Technology and Research. 15.10.2024, 22(2), pp. 691–701. Available at: https://doi.org/10.1007/s11998-024-00999-0.

Pfund, Björn and Wenger, Oliver S. (2025) ‘Excited Organic Radicals in Photoredox Catalysis’, JACS Au, 5(2), pp. 426–447. Available at: https://doi.org/10.1021/jacsau.4c00974.

Cai, Pinwen et al. (2025) ‘A method to identify small molecule/protein pairs susceptible to protein ubiquitination by the CRBN E3 ligase’, Chemrxiv [Preprint]. Cambridge University Press (Chemrxiv). Available at: https://doi.org/10.26434/chemrxiv-2024-8v8km-v2.

Wang, Weijin et al. (2025) ‘Artificial Metalloenzymes with Two Catalytic Cofactors for Tandem Abiotic Transformations’, Angewandte Chemie - International Edition. 17.02.2025, 64(8). Available at: https://doi.org/10.1002/anie.202422783.

Vazquez-Salazar, Luis Itza, Käser, Silvan and Meuwly, Markus (2025) ‘Outlier-detection for reactive machine learned potential energy surfaces’, npj Computational Materials. 15.02.2025, 11(1). Available at: https://doi.org/10.1038/s41524-024-01473-6.

Kress, Charlotte et al. (2025) ‘A Macrocycle with a Pair of Endo-Isocyanides and its Affinity to Gold(I)’, European Journal of Inorganic Chemistry. 27.07.2024, 28(5). Available at: https://doi.org/10.1002/ejic.202400408.

Maksimova, Elizaveta, Salazar Marcano, David E. and De Roo, Jonathan (2025) ‘Quantification of azides on the surface of nanoparticles: towards precise bioconjugation’, Zenodo. 1 edn. (Zenodo). Available at: https://doi.org/10.5281/zenodo.14844350.

Boillat, Marc-Aurèle and Hauser, Peter C. (2025) ‘High resolving power electrospray drift tube ion mobility spectrometer with heated desolvation tube’, Analytica Chimica Acta, 1338. Available at: https://doi.org/10.1016/j.aca.2024.343574.

Jin, Tao et al. (2025) ‘Making Mo(0) a Competitive Alternative to Ir(III) in Phosphors and Photocatalysts’, Journal of the American Chemical Society. 23.01.2025, 147(5), pp. 4587–4594. Available at: https://doi.org/10.1021/jacs.4c16672.

Sparr, Christof and Jana, Kalipada (2025) ‘Enantioselective Wittig Reactions Controlled by P III /P V =O Redox Catalysis’, Synlett. 03.02.2025, 36(9), pp. 1130–1134. Available at: https://doi.org/10.1055/s-0043-1775441.

Hua, Y. et al. (2025) ‘Neutralization of an Oxytocin Derivative by 355 nm Photocleavage in High Vacuum’, Helvetica Chimica Acta, 108(2). Available at: https://doi.org/10.1002/hlca.202400167.

Biswas, Amit et al. (2025) ‘A BOIMPY Dye Enables Multi‐Photoinduced Electron Transfer Catalysis: Reaching Super‐Reducing Properties’, Angewandte Chemie. 10.12.2024, 137(5). Available at: https://doi.org/10.1002/ange.202416472.

Geraci, Andrea and Baudoin, Olivier (2025) ‘Fe-Catalyzed α-C(sp3)−H Amination of N-Heterocycles’, Angewandte Chemie - International Edition, 64(5). Available at: https://doi.org/10.1002/anie.202417414.

Heuberger, Lukas et al. (2025) ‘Photoreceptor-Like Signal Transduction Between Polymer-Based Protocells’, Advanced Materials. 03.11.2024, 37(3). Available at: https://doi.org/10.1002/adma.202413981.

Chang Chien, Tzu-Chin and Delley, Murielle F. (2025) ‘Disentangling Chemical Interaction and Electric Fields at Electrochemical Interfaces’, The Journal of Physical Chemistry C. 29.12.2024, 129(1), pp. 999–1012. Available at: https://doi.org/10.1021/acs.jpcc.4c07553.