Recent Publications

ZORA Publication List

Publications

• Journal Article

  • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • Seller-Brison, Carolin; Brison, Antoine; Yu, Yaochun; Robinson, Serina L; Fenner, Kathrin (2024). Adaptation towards catabolic biodegradation of trace organic contaminants in activated sludge. Water research, 266:122431.
    • Mukiza, Janvier; Habarurema, Gratien; Sezirahiga, Jurdas; Mukabagorora, Theonille; Nkuranga, Jean Bosco; Uwambajineza, Tite; Muyizere, Theoneste; Blacque, Olivier; Baziga, Gervais (2024). Aqua-complexes of pyrimidine-4,6-dicarboxylic acid and its monoester with organometallic fac-[M(CO)3]+ (M = Re and 99mTc) core as radiopharmaceutical probes: Synthesis and characterization. Journal of Organometallic Chemistry, 1021:123348.
    • 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.
    • Juríček, Michal (2024). Hack Your Chemistry. Chimia, 78(10):677-681.
    • Tang, Deqi; Ketkaew, Rangsiman; Luber, Sandra (2024). Machine Learning Interatomic Potentials for Heterogeneous Catalysis. Chemistry, 30(60):e202401148.
    • Lang, Jakob; Ramos, Sergio E; Reichert, Linus; Amboka, Grace M; Apel, Celina; Chidawanyika, Frank; Detebo, Andargachew; Librán-Embid, Felipe; Meinhof, David; Bigler, Laurent; Schuman, Meredith C (2024). Push–Pull Intercropping Increases the Antiherbivore Benzoxazinoid Glycoside Content in Maize Leaf Tissue. ACS Agricultural Science & Technology, 4(10):1074-1082.
    • Ahunbay, Esra; Fazliji, Besim; Maloku, Besa; Sivanantharasa, Nirusan; Sigel, Roland K O; Zelger-Paulus, Susann (2024). Fluorescent End-Labeling and Encapsulation of Long RNAs for Single-Molecule FRET-TIRF Microscopy. Journal of Visualized Experiments (Jove), (212):e67391.
    • Jeong, Seungwoo; Schütz, Vadim; Demir, Fatih; Preusche, Matthias; Huesgen, Pitter; Bigler, Laurent; Kovacic, Filip; Gutbrod, Katharina; Dörmann, Peter; Schulz, Margot (2024). Cyclic Isothiocyanate Goitrin Impairs Lotus japonicus Nodulation, Affects the Proteomes of Nodules and Free Mesorhizobium loti, and Induces the Formation of Caffeic Acid Derivatives in Bacterial Cultures. Plants, 13(20):2897.
    • Schreder, Lukas; Luber, Sandra (2024). Implementation of frozen density embedding in CP2K and OpenMolcas: CASSCF wavefunctions embedded in a Gaussian and plane wave DFT environment. Journal of Chemical Physics, 161(14):144110.
    • Sertcan Gökmen, Beliz; Hutter, Jürg; Hehn, Anna-Sophia (2024). Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm–Dancoff Approximation of Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation, 20(19):8494-8504.
    • Mousavi, Seyyed Jabbar; Biggs, Megan F; Johnson, Jeremy A; Hamm, Peter; Shalit, Andrey (2024). $\chi^{(2)}$-induced artifact overwhelming the third-order signal in 2D Raman–THz spectroscopy of non-centrosymmetric materials. Journal of Chemical Physics, 161(13):134502.
    • Gu, Shaohua; Shao, Yuanzhe; Rehm, Karoline; Bigler, Laurent; Zhang, Di; He, Ruolin; Xu, Ruichen; Shao, Jiqi; Jousset, Alexandre; Friman, Ville-Petri; Bian, Xiaoying; Wei, Zhong; Kümmerli, Rolf; Li, Zhiyuan (2024). Feature sequence-based genome mining uncovers the hidden diversity of bacterial siderophore pathways. eLife, 13:RP96719.
    • El Atrassi, Zakaria; Benzekri, Zakaria; Blacque, Olivier; Hökelek, Tuncer; Mazzah, Ahmed; Cherkaoui, Hassan; Sebbar, Nada Kheira (2024). Crystal structure, Hirshfeld surface analysis, and calculations of intermolecular interaction energies and energy frameworks of 1-[(1-hexyl-1$H$-1,2,3-triazol-4-yl)methyl]-3-(1-methylethenyl)-benzimidazol-2-one. Acta Crystallographica Section E: Crystallographic Communications, 80(10):1075-1080.
    • Sghyar, Riham; Lahyaoui, Mouad; El Ibrahimi, Brahim; Blacque, Olivier; Kartah, Badr Eddine; Ez-zoubi, Amine; Hökelek, Tuncer; Mague, Joel T; EL Hadrami, El Mestafa; Ben-Tama, Abdeslem; Sebbar, Nada Kheira (2024). Newly synthesized based Schiff of phenylferrocene: Molecular and crystal structures, Density Functional Theory calculations, Hirshfeld surface analyses, and improved molecular docking data. Journal of Molecular Structure THEOCHEM, 1314:138747.
    • Li, Shangkun; Zhang, Zeyi; Marks, Walker R; Huang, Xinan; Chen, Hang; Stoian, Dragos C; Erni, Rolf; Triana, Carlos A; Patzke, Greta R (2024). {Co4O4} Cubanes in a conducting polymer matrix as bio-inspired molecular oxygen evolution catalysts. Nature Communications, 15(1):8432.
    • Oppelt, Kerstin T; Hamm, Peter (2024). FullThrOTTLE-TrIR: Time-Resolved IR Spectroscopy of Electrochemically Generated Species Using a Full Throughput Optically Transparent Thin-Layer Electrochemical Cell. Journal of Physical Chemistry C, 128(38):16040-16049.
    • Chai, Ziwei; Luber, Sandra (2024). Grand Canonical Ensemble Approaches in CP2K for Modeling Electrochemistry at Constant Electrode Potentials. Journal of Chemical Theory and Computation:Epub ahead of print.
    • Attrah, Mustafa; Schärer, Milo R; Esposito, Mauro; Gionchetta, Giulia; Bürgmann, Helmut; Lens, Piet N L; Fenner, Kathrin; van de Vossenberg, Jack; Robinson, Serina L (2024). Disentangling abiotic and biotic effects of treated wastewater on stream biofilm resistomes enables the discovery of a new planctomycete beta-lactamase. Microbiome, 12(1):164.
    • Seelajaroen, H; Apaydin, D H; Spingler, B; Jungsuttiwong, S; Wongnongwa, Y; Rojanathanes, R; Sariciftci, N S; Thamyongkit, P (2024). Synthesis and Structure–Property Relationship of meso-Substituted Porphyrin- and Benzoporphyrin–Thiophene Conjugates toward Electrochemical Reduction of Carbon Dioxide. Energy and Fuels, 38(17):16555-16569.
    • Philippe, J; Elson, F; Casati, Nicola P M; Sanz, S; Metzelaars, M; Shliakhtun, O; Forslund, O K; Lass, J; Shiroka, T; Linden, A; Mazzone, D G; Ollivier, J; Shin, S; Medarde, M; Lake, B; Månsson, M; Bartkowiak, M; Normand, B; Kögerler, P; Sassa, Y; Janoschek, M; Simutis, G (2024). (C$_5$H$_9$NH$_3$)$_2$CuBr$_4$ : A metal-organic two-ladder quantum magnet. Physical Review B, 110(9):094101.
    • González, Jorge A; Arribas, Andrés; Tian, Puyang; Díaz‐Alonso, Sergio; Mascareñas, José Luis; López, Fernando; Nevado, Cristina (2024). Gold(III) Auracycles Featuring C(sp$^3$)‐Au‐C(sp$^2$) Bonds: Synthesis and Mechanistic Insights into the Cycloauration Step. Angewandte Chemie Internationale Edition, 63(36):e202402798.
    • Musiari, Anastasia; Reichenbach, María; Gallo, Sofia; Sigel, Roland K O (2024). Corrin Ring Modifications Reveal the Chemical and Spatial Requirements for the B$_1$$_2$ $btuB$ Riboswitch Interaction. Chemistry, 30(49):e202401800.
    • Ketkaew, Rangsiman; Creazzo, Fabrizio; Sivula, Kevin; Luber, Sandra (2024). A metadynamics study of water oxidation reactions at (001)-WO3/liquid-water interface. Chem Catalysis, 4(9):101085.
    • Dereka, Bogdan; Balanikas, Evangelos; Rosspeintner, Arnulf; Li, Zhiquan; Liska, Robert; Vauthey, Eric (2024). Excited-State Symmetry Breaking and Localization in a Noncentrosymmetric Electron Donor–Acceptor–Donor Molecule. Journal of Physical Chemistry Letters, 15(32):8280-8286.
    • Cola, Reto B; Niethammer, Salome N; Rajamannar, Preethi; Gresch, Andrea; Bhat, Musadiq A; Assoumou, Kevin; Williams, Elyse T; Hauck, Patrick; Hartrampf, Nina; Benke, Dietmar; Stoeber, Miriam; Levkowitz, Gil; Melzer, Sarah; Patriarchi, Tommaso (2024). Probing PAC1 receptor activation across species with an engineered sensor. eLife, 13:RP96496.
    • Leinweber, Anne; Laffont, Clémentine; Lardi, Martina; Eberl, Leo; Pessi, Gabriella; Kümmerli, Rolf (2024). RNA-Seq reveals that Pseudomonas aeruginosa mounts growth medium-dependent competitive responses when sensing diffusible cues from Burkholderia cenocepacia. Communications Biology, 7(1):995.
    • Adams, Pardis; Bühler, Jan; Walz, Iva; Moehl, Thomas; Roithmeyer, Helena; Blacque, Olivier; Comini, Nicolò; Diulus, J Trey; Alberto, Roger; Siol, Sebastian; Dimitrievska, Mirjana; Novotny, Zbynek; Tilley, S David (2024). Direct Anchoring of Molybdenum Sulfide Molecular Catalysts on Antimony Selenide Photocathodes for Solar Hydrogen Production. ACS Energy Letters, 9(8):3828-3834.
    • Gawryluk, Dariusz J; Klein, Y Maximilian; Scatena, Rebecca; Shang, Tian; Sibille, Romain; Sheptyakov, Denis; Casati, Nicola; Linden, Anthony; Chernyshov, Dmitry; Kozlowski, Mirosław; Dluzewski, Piotr; Rossell, Marta D; Macchi, Piero; Medarde, Marisa (2024). Magnetostructural Coupling at the Néel Point in YNiO $_3$ Single Crystals. Chemistry of Materials, 36(16):7811-7821.
    • Hafner, Jasmin; Lorsbach, Tim; Schmidt, Sebastian; Brydon, Liam; Dost, Katharina; Zhang, Kunyang; Fenner, Kathrin; Wicker, Jörg (2024). Advancements in biotransformation pathway prediction: enhancements, datasets, and novel functionalities in enviPath. Journal of Cheminformatics, 16(1):93.
    • Berton, Cesare; Klingler, Simon; Prytuliak, Stanislav; Holland, Jason P (2024). New tactics in the design of theranostic radiotracers. npj Imaging, 2(1):23.
    • Kucher, Hannes; Wenzel, Jonas O; Rombach, David (2024). Hydrothiolation of Triisopropylsilyl Acetylene Sulfur Pentafluoride – Charting the Chemical Space of $\beta\text{-}SF_5$ Vinyl Sulfides. ChemPlusChem, 89(8):e202400168.
    • Hanc, Katarzyna; Janeková, Hana; Štacko, Peter (2024). Concurrent Subcellular Delivery of Hydrogen Sulfide and a Payload with Near-Infrared Light. JACS Au, 4(7):2687-2694.
    • Steffen, Fabio D; Cunha, Richard A; Sigel, Roland K O; Börner, Richard (2024). FRET-guided modeling of nucleic acids. Nucleic Acids Research, 52(13):e59.
    • Mendo Diaz, Oscar; Patiny, Luc; Tell, Adriana; Hutter, Jules; Knobloch, Marco; Stalder, Urs; Kern, Susanne; Bigler, Laurent; Heeb, Norbert; Bleiner, Davide (2024). A Quasi Real-Time Evaluation of High-Resolution Mass Spectra of Complex Chlorinated Paraffin Mixtures and Their Transformation Products. Analytical Chemistry, 96(30):12378-12386.
    • Wang, Zhenbin; Bae, Sanghyun; Baljozović, Miloš; Adams, Pardis; Yong, David; Service, Erin; Moehl, Thomas; Niu, Wenzhe; Tilley, S David (2024). One-Step Hydrothermal Synthesis of Sn-Doped Sb$_2$Se$_3$ for Solar Hydrogen Production. ACS Catalysis, 14(13):9877-9886.
    • Verduci, Rosaria; Creazzo, Fabrizio; Tavella, Francesco; Abate, Salvatore; Ampelli, Claudio; Luber, Sandra; Perathoner, Siglinda; Cassone, Giuseppe; Centi, Gabriele; D’Angelo, Giovanna (2024). Water Structure in the First Layers on TiO$_2$: A Key Factor for Boosting Solar-Driven Water-Splitting Performances. Journal of the American Chemical Society, 146(26):18061-18073.
    • González‐Fernández, Elisa; Marinus, Nittert; Dhankhar, Jyoti; Linden, Anthony; Čorić, Ilija (2024). Control over Anion Coordination on Pd(II), Cu(I), and Ag(I) with Regioisomeric Phosphine‐Carboxylate Ligands. Chemistry, 30(37):e202401215.

Pagination