Recent Publications

ZORA Publication List

Publications

• Journal Article

  • 2025

    • Chai, Z., & Luber, S. (2025). Anisotropic Interface Continuum Solvation Model and the Finite-Element Anisotropic Poisson Solver Journal of Chemical Theory and Computation, 21(22), 11747–11760. https://doi.org/10.1021/acs.jctc.5c01517
    • Hernandez-Segura, L. I., & Luber, S. (2025). Spin-Flip TDDFT within the Sternheimer Formulation: A Gaussian and Plane Wave Implementation Journal of Physical Chemistry. A, 129(42), 9798–9809. https://doi.org/10.1021/acs.jpca.5c05234
    • Praxmair, J., Creazzo, F., Tang, D., Zalesak, J., Hörndl, J., Luber, S., & Pokrant, S. (2025). Hydrothermally Synthesized BiVO $_4$ : The Role of KCl as Additive for Improved Photoelectrochemical and Photocatalytic Oxygen Evolution Activity. ChemElectroChem, 12(22), e202500280. https://doi.org/10.1002/celc.202500280
    • Vögtli, Marius; Helfenstein, Isabelle S; Schläpfer, Daniel; Schuman, Meredith Christine; Kneubühler, Mathias; Damm, Alexander (2025). Data processing and acquisition geometry impact the estimation of plant trait-based functional richness from airborne imaging spectroscopy Remote Sensing of Environment, 328:114846.
    • Zhioua, S., Khan, I., Gonzalez, D., Junier, P., & Sieber, S. (2025). Genomic and chemical characterization of cytotoxic Ahp-cyclodepsipeptides from Phormidium using Thamnocephalus platyurus bioassay The Science of the Total Environment, 993, 179750. https://doi.org/10.1016/j.scitotenv.2025.179750
    • Kradolfer, F., Maake, C., & Spingler, B. (2025). Synergistic effects of combining phototherapeutics with traditional treatment modalities in oncology Chemical Communications, 61, 14757–14772. https://doi.org/10.1039/d5cc02816g
    • Biedrzycki, M., Martín, J., Genoux, A., Boschi, E., & Nevado, C. (2025). Synthesis of (P^N^C)Gold(III) Complexes via Tandem Oxidative Addition/C–H Auration ACS Organic & Inorganic Au, 5(5), 322–327. https://doi.org/10.1021/acsorginorgau.5c00057
    • Bleiner, D., Rameshbabu, S., & Von Ballmoos, J. (2025). Fingerprinting materials oxidation using laser-induced XUV spectroscopy (LIXS) Analytical and Bioanalytical Chemistry, 1–13. https://doi.org/10.1007/s00216-025-06067-9
    • Hu, X., Ribadeau-Dumas, L., & Nevado, C. (2025). Redox-neutral photocatalytic cleavage and $gem$-difluoroalkenylation of lignin linkages Science Advances, 11(33), eady2227. https://doi.org/10.1126/sciadv.ady2227
    • Hanasaki, K., de Jong, T. F., Komarov, K., Kumar, R., Mališ, M., Mattiat, J., Hernandez-Segura, L. I., Schreder, L., Sinyavskiy, A., & Luber, S. (2025). Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K’s Multifaceted Approach Journal of Physical Chemistry. A, 129(32), 7313–7344. https://doi.org/10.1021/acs.jpca.5c02969
    • Civettini, D. R., Triana, C. A., De Jong, T. F., Abbott, D. F., Dürr, R. N., Luber, S., Mougel, V., & Patzke, G. R. (2025). Structure and Catalytic Properties of Homo- and Heterometallic Iron(II)-Based Di(2-pyridyl)ketone Oxoclusters Journal of the American Chemical Society, 147(30), 26338–26351. https://doi.org/10.1021/jacs.5c04262
    • Hamdaoui, Mustapha; Cornaton, Yann; Lu, Xingyu; Shi, Xiaohuo; Zhang, Huan; Liu, Jiyong; Spingler, Bernhard; Sun, Jizeng; Djukic, Jean-Pierre; Duttwyler, Simon (2025). Quantum Hydrogen Tunneling in an Iridium Dihydride Complex Journal of the American Chemical Society, 147(27):23458-23472.
    • Li, J., Chen, H., Liu, S., Wang, Y., Wan, W., Zhao, Y., Triana, C. A., Xu, Z., & Patzke, G. R. (2025). Accelerated Recombination Reaction through Interfacial FeIV=O Accumulation on Photoanode Surfaces. Journal of the American Chemical Society, 147(25), 21492–21500. https://doi.org/10.1021/jacs.5c02231
    • Hashemi, N., Marks, W. R., Civettini, D. R., Triana, C. A., Nandy, S., Bikas, R., Notash, B., Rameshbabu, S., Müller, A., Wichser, A., Vockenhuber, C., Bleiner, D., Chae, K. H., Patzke, G. R., & Najafpour, M. M. (2025). A Cubane-Like Cobalt Complex in Water Oxidation: Synthesis, True Catalyst, and Catalytic Mechanism Inorganic Chemistry, 64(24), 12264–12276. https://doi.org/10.1021/acs.inorgchem.5c01657
    • Ren, J., Mathew, A., Rodríguez‐García, M., Regli, C. C., Blacque, O., Spingler, B., Sieber, S., Eberl, L., & Gademann, K. (2025). Valdiazen Derivatives for Chemoproteomic Studies in $Burkholderia$ $cenocepacia$ H111 Chembiochem, 26(11), e202400945. https://doi.org/10.1002/cbic.202400945
    • Bhandary, Subhrajyoti; Ryan, Tara; Rao, Pavan Sreenivasa; O'Dowd, Noel; Linden, Anthony; Kaczmarek, Anna M; Guerin, Sarah; Van Hecke, Kristof (2025). Elusive Interplay of 3D Structural Similarity and Twinning in Mechanical Flexibility of Luminescent Organic Crystals Small, 21(19):2501145.
    • Miró-Vinyals, C., Emmert, S., Grammbitter, G., Jud, A., Kockmann, T., & Rivera Fuentes, P. (2025). Characterization of the glutathione redox state in the Golgi apparatus Redox Biology, 81, 103560. https://doi.org/10.1016/j.redox.2025.103560
    • García-Raso, Ángel; Terrón, Ángel; Fiol, Juan J; López-Zafra, Adela; Herreros, Marino; Capilla, Inés; Domínguez, Miguel A; Barceló-Oliver, Miquel; Spingler, Bernhard; Frontera, Antonio (2025). Synthesis, X-ray characterization, and DFT study of six deferiprone analogues Journal of Molecular Structure THEOCHEM, 1326:141123.
    • Linden, Anthony; Egli, Daniel H; Heimgartner, Heinz (2025). Transformations of thiocarbonyls into alkenes $via$ Barton–Kellogg olefination Acta Crystallographica. Section C, Structural Chemistry, 81(4):238-245.
    • Kręcijasz, Remigiusz B; Malinčík, Juraj; Mathew, Simon; Štacko, Peter; Šolomek, Tomáš (2025). Strain-Induced Photochemical Opening of Ferrocene[6]cycloparaphenylene: Uncaging of Fe$^{2+}$ with Green Light Journal of the American Chemical Society, 147(12):10231-10237.
    • Augustinowitz, Till; Schiavon, Lucia; Mücke, Katharina; Schwarz-Herzke, Beryl; Drescher, Dieter; Brunello, Giulia; Becker, Kathrin (2025). Is simultaneous placement of orthodontic mini-implants and skeletally anchored appliances advisable? : CBCT-based cadaver study comparing the accuracy of the digital workflow with methods requiring two visits Journal of Orofacial Orthopedics / Fortschritte der Kieferorthopädie:Epub ahead of print.
    • Guérin, Amandine; Levasseur, Caroline; Herger, Aline; Renggli, Dominik; Sotiropoulos, Alexandros Georgios; Kadler, Gabor; Hou, Xiaoyu; Schaufelberger, Myriam; Meyer, Christian; Wicker, Thomas; Bigler, Laurent; Ringli, Christoph (2025). Histidine limitation alters plant development and influences the TOR network Journal of Experimental Botany, 76(4):1085-1098.
    • Guo, Man; Dongfang, Nanchen; Liu, Qiang; Iannuzzi, Marcella; van Bokhoven, Jeroen Anton; Artiglia, Luca (2025). Reaction Intermediates Involved in the Epoxidation of Ethylene Over Silver Revealed by In Situ Photoelectron Spectroscopy Small, 21(5):e2408432.
    • Helfenstein, Isabelle S; Sturm, Joan T; Schmid, Bernhard; Damm, Alexander; Schuman, Meredith Christine; Morsdorf, Felix (2025). Satellite observations reveal a positive relationship between trait‐based diversity and drought response in temperate forests Global Change Biology, 31(2):e70059.
    • Pirc, Miha; Mancini, Leonardo; Müller, Nicolas; Lim, Hyun-Chang; Jung, Ronald E; Thoma, Daniel S; Bienz, Stefan P (2025). Association of flap tension with flap design and graft volume in soft tissue augmentation: a cadaveric study in pigs Journal of Periodontal & Implant Science, 55:e8.
    • Bunzen, Hana; Sertcan Gökmen, Beliz; Kalytta‐Mewes, Andreas; Grzywa, Maciej; Wojciechowski, Jakub; Hutter, Jürg; Hehn, Anna‐Sophia; Volkmer, Dirk (2025). Experimental and Theoretical Insights on Gas Trapping of Noble Gases in MFU‐4‐Type Metal–Organic Frameworks Chemistry, 31(5):e202403574.
    • Shukla, Saurabh; Shalit, Andrey; Hamm, Peter (2025). 2D Raman-THz spectroscopy of imidazolium-based ionic liquids Journal of Chemical Physics, 162(3):034502.
    • Zhao, Yonggui; Dongfang, Nanchen; Huang, Chong; Erni, Rolf; Li, Jingguo; Zhao, Han; Pan, Long; Iannuzzi, Marcella; Patzke, Greta R (2025). Operando monitoring of the functional role of tetrahedral cobalt centers for the oxygen evolution reaction Nature Communications, 16(1):580.
    • Andersson, Linnéa; Sprik, Michiel; Hutter, Jürg; Zhang, Chao (2025). Electronic Response and Charge Inversion at Polarized Gold Electrode Angewandte Chemie Internationale Edition, 64(1):e202413614.
    • Roithmeyer, Helena; Bühler, Jan; Blacque, Olivier; Tuncay, Isik; Moehl, Thomas; Invernizzi, Cristiano; Keller, Florian; Iannuzzi, Marcella; Tilley, S David (2025). The Swiss Army Knife of Electrodes: Pillar[6]arene‐Modified Electrodes for Molecular Electrocatalysis Over a Wide pH Range Angewandte Chemie Internationale Edition, 64(1):e202413144.
    • Csucker, Joshua; Grundmann, Nora Sophie; Blacque, Olivier; Spingler, Bernhard; Alberto, Roger (2025). The role of $\left[\text{Re}(\eta^6\text{-arene})_2\right]^+$ substituents in electro- and photocatalytic water reduction with $\left[\text{Co}(\text{terpy})_2\right]^{3+}$ catalysts Catalysis Science & Technology, 15(5):1627-1633.
    • Janeková, Hana; Fisher, Sergey; Šolomek, Tomáš; Štacko, Peter (2025). Surfing the limits of cyanine photocages one step at a time Chemical Science, 16(4):1677-1683.
    • Genz, J., Berton, C., Kichou, S., Klingler, S., Nolff, M. C., Braband, H., & Holland, J. P. (2025). Photoradiolabeling of onartuzumab with 99m Tc and 188 Re-tricarbonyl for radiotheranostics of gastric cancer. Chemical Science, 16(15), 6219–6230. https://doi.org/10.1039/d4sc08089k
    • Park, Shinyoung; Lee, Joo-Yeon; Park, Jin-Young; Song, Young Woo; Cha, Jae-Kook; Strauss, Franz J; Shin, Seung-Yun; Lim, Hyun-Chang; Jung, Ronald E; Jung, Ui-Won; Thoma, Daniel S (2025). Ridge Augmentation Using a Self-Retaining Block Bone Material in Damaged Extraction Sockets: A Multi-Centre Randomized Controlled Clinical Trial Journal of Clinical Periodontology, 52(4):599-611.
    • Ioannidis, Alexis; Pitta, João; Panadero, Rubén Agustín; Chantler, Jennifer G M; Villar, Sandra Fernández; Fonseca, Manrique; Lozano, Jaime Gil; Hämmerle, Christoph H F; Hey, Jeremias; Karasan, Duygu; Kraljevic, Iris; Mainjot, Amélie; Pachiou, Aspasia; Rutten, Patrick; von Stein-Lausnitz, Manja; Strasding, Malin; Zaugg, Lucia K (2025). Rehabilitation Strategies and Occlusal Vertical Dimension Considerations in the Management of Worn Dentitions: Consensus Statement From SSRD, SEPES, and PROSEC Conference on Minimally Invasive Restorations Journal of Esthetic and Restorative Dentistry, 37(3):702-706.
    • Kurath, Dave; van Moorsel, Sofia J; Klaver, Jolanda; Voortman, Tis; Siegfried, Barbara; Brügger, Yves-Alain; Moradi, Abobakr; Czyż, Ewa A; de La Harpe, Marylaure; Wiesenberg, Guido L B; Schaepman, Michael E; Schuman, Meredith C (2025). Leaf spectroscopy reveals drought response variation in Fagus sylvatica saplings from across the species’ range Journal of Geophysical Research: Biogeosciences, 130(2):e2024JG008404.

  • 2024

    • Patzke, Greta R; Keller, Florian; Iannuzzi, Marcella; Reith, Lukas; Marshall, Kenneth Paul; van Beek, Wouter; Triana, Carlos A (2024). Structure-Selection Dynamics of Cobalt Nanoparticles from Solution Synthesis and Their Impact on the Oxygen Evolution Reaction ACS Nano, 18(52):35533-35549.
    • Battaglia, Stefano; Rossmannek, Max; Rybkin, Vladimir V; Tavernelli, Ivano; Hutter, Jürg (2024). A general framework for active space embedding methods with applications in quantum computing npj Computational Materials, 10(1):297.
    • Ren, Jiajun; Mathew, Anugraha; Rodríguez-García, María; Kohler, Tobias; Blacque, Olivier; Linden, Anthony; Eberl, Leo; Sieber, Simon; Gademann, Karl (2024). Functional biosynthetic stereodivergence in a gene cluster via a dihydrosydnone N-oxide Communications Chemistry, 7(1):301.
    • Vollenweider, Vera; Rehm, Karoline; Chepkirui, Clara; Pérez-Berlanga, Manuela; Polymenidou, Magdalini; Piel, Jörn; Bigler, Laurent; Kümmerli, Rolf (2024). Antimicrobial activity of iron-depriving pyoverdines against human opportunistic pathogens eLife, 13:RP92493.
    • Chen, Kangwei; Xu, Jie; Laroche, Alexandre; Lau, Yuen-Yee; Seeger, Stefan (2024). Heterogeneous Silicone Nanorods with Region-Specific Functionality ACS applied materials & interfaces, 16(50):69713-69724.
    • Bürgisser, Héloïse; Williams, Elyse T; Jeandin, Aliénor; Lescure, Robin; Premanand, Adhvitha; Wang, Songlin; Hartrampf, Nina (2024). A Versatile “Synthesis Tag” (SynTag) for the Chemical Synthesis of Aggregating Peptides and Proteins Journal of the American Chemical Society, 146(50):34887-34899.
    • Steiner, Till; Schanbacher, Franziska; Lorenzen, Wolfram; Enke, Heike; Janssen, Elisabeth M L; Niedermeyer, Timo H J; Gademann, Karl (2024). UV–vis absorbance spectra, molar extinction coefficients and circular dichroism spectra for the two cyanobacterial metabolites anabaenopeptin A and anabaenopeptin B Data in brief, 57:110914.
    • Chesnokov, Gleb A; Friedli, Julia; Carta, Francis J; Gademann, Karl (2024). Total Synthesis of (−)-Bipolarolide D JACS Au, 4(11):4194-4198.
    • Gruber, Christoph; Pupeikis, Justinas; Camenzind, Sandro L; Willenberg, Benjamin; Camargo, Franco V A; Lang, Lukas; Hamm, Peter; Rampur, Anupamaa; Heidt, Alexander; Phillips, Christopher R; Cerullo, Giulio; Keller, Ursula (2024). High-sensitivity pump-probe spectroscopy with a dual-comb laser and a PM-Andi supercontinuum Optics letters, 49(22):6445.
    • Tian, Run; Posselt, Malte; Fenner, Kathrin; McLachlan, Michael S (2024). Variability of Biodegradation Rates of Commercial Chemicals in Rivers in Different Regions of Europe Environmental Science & Technology, 58(45):20201-20210.
    • Töpfer, Kai; Boittier, Eric; Devereux, Mike; Pasti, Andrea; Hamm, Peter; Meuwly, Markus (2024). Force Fields for Deep Eutectic Mixtures: Application to Structure, Thermodynamics and 2D-Infrared Spectroscopy Journal of Physical Chemistry B, 128(44):10937-10949.
    • Service, Erin; Moehl, Thomas; Tilley, S David (2024). Operation of Amorphous TiO$_2$-Protected Photocathodes Described with the Maxwell Equivalent Circuit ACS applied materials & interfaces, 16(44):60084-60093.
    • Al-Wahaibi, Lamya H; Gudimetla, Seetha Rama Sastry; Blacque, Olivier; El-Emam, Ali A; Percino, M Judith; Thamotharan, Subbiah (2024). Interplay of weak noncovalent interactions in (E)-4-chloro-N’-(thiophen-2-ylmethylene)benzohydrazide: Insights from Hirshfeld surface, PIXEL energy and QTAIM analyses Journal of Molecular Structure THEOCHEM, 1315:138822.
    • Bae, Sanghyun; Moehl, Thomas; Service, Erin; Kim, Minjung; Adams, Pardis; Wang, Zhenbin; Choi, Yuri; Ryu, Jungki; Tilley, S David (2024). A hole-selective hybrid TiO$_2$ layer for stable and low-cost photoanodes in solar water oxidation Nature Communications, 15(1):9439.

Pagination