Recent Publications

ZORA Publication List

Publications

• Journal Article

  • 2024

    • 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.
    • 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.
    • 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, (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.
    • 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.
    • 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.
    • Csucker, Joshua; Scarpi-Luttenauer, Matthieu; Mesdom, Pierre; Hidalgo, Samia; Blacque, Olivier; Gasser, Gilles; Alberto, Roger (2024). Synthesis, Characterization, and Biological Evaluation of Novel [M(η6-arene)2]+ (M = Re, 99mTc) Hosted Terpyridines and Copper Complexes Thereof Inorganic Chemistry, 63(39):18154-18161.
    • 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.
    • Gäding, J; Della Balda, V; Lan, J; Konrad, J; Iannuzzi, M; Meißner, R H; Tocci, G (2024). The role of the water contact layer on hydration and transport at solid/liquid interfaces Proceedings of the National Academy of Sciences of the United States of America, 121(38):e2407877121.
    • 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.
    • 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.
    • 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.
    • Bilichenko, Maria; Iannuzzi, Marcella; Tocci, Gabriele (2024). Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials ACS Nano, 18(35):24118-24127.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • 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.
    • Guo, Man; Dongfang, Nanchen; Iannuzzi, Marcella; van Bokhoven, Jeroen Anton; Artiglia, Luca (2024). Structure and Reactivity of Active Oxygen Species on Silver Surfaces for Ethylene Epoxidation ACS Catalysis, 14(13):10234-10244.
    • 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.
    • Hartrampf, Nina (2024). Chemische Proteinsynthese/Trendbericht Biochemie 2024 (1/3) Nachrichten aus der Chemie, 72(7-8):56-58.
    • Hosseininasab, Fatemeh S; Memarian, Hamid R; Rudbari, Hadi Amiri; Blacque, Olivier (2024). A comparative study of X-ray structural analysis, DFT computations, and Hirshfeld surface analysis for decahydroacridine-1,8-diones Journal of the Iranian Chemical Society, 21(7):1997-2015.
    • Meynet, Paola; Joss, Adriano; Davenport, Russell J; Fenner, Kathrin (2024). Impact of long-term temperature shifts on activated sludge microbiome dynamics and micropollutant removal Water research, 258:121790.
    • Schiefelbein, Kevin; Lang, Jakob; Schuster, Matthias; Grigglestone, Claire E; Striga, Robin; Bigler, Laurent; Schuman, Meredith C; Zerbe, Oliver; Li, Yanyan; Hartrampf, Nina (2024). Merging Flow Synthesis and Enzymatic Maturation to Expand the Chemical Space of Lasso Peptides Journal of the American Chemical Society, 146(25):17261-17269.
    • Ferrara, Isabella; Chesnokov, Gleb A; Dittmann, Silvia; Blacque, Olivier; Sievers, Susanne; Gademann, Karl (2024). Formal Single Atom Editing of the Glycosylated Natural Product Fidaxomicin Improves Acid Stability and Retains Antibiotic Activity JACS Au, 4(6):2267-2280.
    • Rivas, Feriannys; Del Mármol, Carolina; Scalese, Gonzalo; Pérez Díaz, Leticia; Machado, Ignacio; Blacque, Olivier; Salazar, Fabiana; Coitiño, E Laura; Benítez, Diego; Medeiros, Andrea; Comini, Marcelo; Gambino, Dinorah (2024). Multifunctional Organometallic Compounds Active against Infective Trypanosomes: Ru(II) Ferrocenyl Derivatives with Two Different Bioactive Ligands Inorganic Chemistry, 63(25):11667-11687.
    • Turco, Elia; Aapro, Markus; Ganguli, Somesh C; Krane, Nils; Drost, Robert; Sobrino, Nahual; Bernhardt, Annika; Juríček, Michal; Fasel, Roman; Ruffieux, Pascal; Liljeroth, Peter; Jacob, David (2024). Demonstrating Kondo behavior by temperature-dependent scanning tunneling spectroscopy Physical Review Research, 6(2):L022061.
    • Torres, Marta; Paszti, Sarah; Eberl, Leo (2024). Shedding light on bacteria–host interactions with the aid of TnSeq approaches mBio, 15(6):e0039024.
    • Zhao, Yonggui; Wan, Wenchao; Erni, Rolf; Pan, Long; Patzke, Greta R (2024). $Operando$ Spectroscopic Monitoring of Metal Chalcogenides for Overall Water Splitting: New Views of Active Species and Sites Angewandte Chemie Internationale Edition, 63(24):e202400048.
    • Schreder, Lukas; Luber, Sandra (2024). Propagated (fragment) Pipek–Mezey Wannier functions in real-time time-dependent density functional theory Journal of Chemical Physics, 160(21):214117.

Pagination