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Publications 2025

  • Performance and Stability of Corundum‐type In O Catalyst for Carbon Dioxide Hydrogenation to Methanol, A. Gili, G. Brösigke, M. Javed, E. Dal Molin, P. Isbrücker, J. Repke, F. Hess, A. Gurlo, R. Schomäcker, M. F. Bekheet, Angewandte Chemie International Edition 2025, 10.1002/anie.202416990
  • Discovery and Characterization of a Metastable Cubic Interstitial Nickel–Carbon System with an Expanded Lattice, A. Gili, M. Kunz, D. Gaissmaier, C. Jung, T. Jacob, T. Lunkenbein, W. Hetaba, K. Dembélé, S. Selve, R. Schomäcker, A. Gurlo, M. F. Bekheet, ACS Nano 2025, 10.1021/acsnano.4c15300
  • Additively Manufactured Zirconia-Supported Indium Oxide Catalysts and Their Performance in Direct Methanol Synthesis, E. S. Dal Molin, M. Javed, G. Brösigke, M. A. Rudolph, J. U. Repke, R. Schomäcker, U. Simon, M. F. Bekheet, A. Gurlo, Industrial & Engineering Chemistry Research 2025, 64, 1032–1045, 10.1021/acs.iecr.4c03439
  • PathInHydro, a Set of Machine Learning Models to Identify Unbinding Pathways of Gas Molecules in [NiFe] Hydrogenases, F. Sohraby, J. Y. Guo, A. Nunes-Alves, Journal of Chemical Information and Modeling 2025, 65, 589–602, 10.1021/acs.jcim.4c01656
  • The [ ‐ ] cluster of mitochondrial outer membrane protein has an ‐regulated nitric oxide access tunnel, T. N. Hoang, M. Wu‐Lu, A. Collauto, P. Hagedoorn, M. Alexandru, M. Henschel, S. Kordasti, M. A. Mroginski, M. M. Roessler, K. H. Ebrahimi, FEBS letters 2025, 10.1002/1873-3468.15097
  • Expanding the scope of resonance Raman spectroscopy in hydrogenase research: New observable states and reporter vibrations, C. C. M. Bernitzky, G. Caserta, S. Frielingsdorf, J. Schoknecht, A. Schmidt, P. Scheerer, O. Lenz, P. Hildebrandt, C. Lorent, I. Zebger, M. Horch, Journal of Inorganic Biochemistry 2025, 262, 112741–0, 10.1016/j.jinorgbio.2024.112741
  • Revealing catalyst restructuring and composition during nitrate electroreduction through correlated operando microscopy and spectroscopy, A. Yoon, L. Bai, F. Yang, F. Franco, C. Zhan, M. Rüscher, J. Timoshenko, C. Pratsch, S. Werner, H. S. Jeon, M. C. d. O. Monteiro, S. W. Chee, B. Roldan Cuenya, nature materials 2025, 10.1038/s41563-024-02084-8
  • High-Temperature Growth of CeOx on Au(111) and Behavior under Reducing and Oxidizing Conditions, R. Tschammer, L. Buß, E. Pożarowska, C. Morales, S. D. Senanayake, M. J. Prieto, L. C. Tănase, L. de Souza Caldas, A. Tiwari, T. Schmidt, M. A. Niño, M. Foerster, J. Falta, J. I. Flege, The Journal of Physical Chemistry C 2025, 129, 3583–3594, 10.1021/acs.jpcc.4c08072
  • Metal–Support Interaction in In2O3 -Based Catalysts of CO2 Hydrogenation Studied Using “Inverse” In2O3 (111)/Ru(0001) Model Systems, J. K. Mathiesen, J. Zhu, W. Wan, S. Shaikhutdinov, B. Roldan Cuenya, The Journal of Physical Chemistry C 2025, 129, 8582–8590, 10.1021/acs.jpcc.5c00272
  • Interaction between bacterial phytochromes Agp1 and Agp2 of by fluorescence resonance energy transfer and docking studies, A. El Kurdi, G. Kaeser, P. Scheerer, D. Hoffmann, E. Akkus, M. Elstner, N. Krauß, T. Lamparter, FEBS letters 2025, 599, 848–865, 10.1002/1873-3468.15102
  • Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes, L. Sauthof, M. Szczepek, A. Schmidt, A. Bhowmick, M. Dasgupta, M. J. Mackintosh, S. Gul, F. D. Fuller, R. Chatterjee, I. D. Young, N. Michael, N. A. Heyder, B. Bauer, A. Koch, I. Bogacz, I. S. Kim, P. S. Simon, A. Butryn, P. Aller, V. U. Chukhutsina, J. M. Baxter, C. D. M. Hutchison, D. Liebschner, B. Poon, N. K. Sauter, M. D. Miller, George N. Phillips Jr., R. Alonso-Mori, M. S. Hunter, A. Batyuk, S. Owada, K. Tono, R. Tanaka, J. J. van Thor, N. Krauß, T. Lamparter, A. S. Brewster, I. Schapiro, A. M. Orville, V. K. Yachandra, J. Yano, P. Hildebrandt, J. F. Kern, P. Scheerer, Science Advances 2025, 11, 10.1126/sciadv.adp2665
  • Serial-femtosecond crystallography reveals how a phytochrome variant couples chromophore and protein structural changes, L. Sauthof, M. Szczepek, A. Schmidt, A. Bhowmick, M. Dasgupta, M. J. Mackintosh, S. Gul, F. D. Fuller, R. Chatterjee, I. D. Young, N. Michael, N. A. Heyder, B. Bauer, A. Koch, I. Bogacz, I. S. Kim, P. S. Simon, A. Butryn, P. Aller, V. U. Chukhutsina, J. M. Baxter, C. D. M. Hutchison, D. Liebschner, B. Poon, N. K. Sauter, M. D. Miller, George N. Phillips Jr., R. Alonso-Mori, M. S. Hunter, A. Batyuk, S. Owada, K. Tono, R. Tanaka, J. J. van Thor, N. Krauß, T. Lamparter, A. S. Brewster, I. Schapiro, A. M. Orville, V. K. Yachandra, J. Yano, P. Hildebrandt, J. F. Kern, P. Scheerer, Science Advances 2025, 11, 1–13, 10.1126/sciadv.adp2665
  • Agonists and Antagonists Show Different Unbinding Paths from the TLR8 Receptor, V. Talagayev, G. Wolber, A. Nunes-Alves, Journal of Chemical Information and Modeling 2025, 65, 7678–7688, 10.1021/acs.jcim.5c00496
  • Symmetric Ligand Binding Pathways and Dual-State Bottleneck in [NiFe] Hydrogenases from Unbiased Molecular Dynamics, F. Sohraby, A. Nunes-Alves, The Journal of Physical Chemistry Letters 2025, 7960–7967, 10.1021/acs.jpclett.5c01673
  • MRAP2 modifies the signaling and oligomerization state of the melanocortin-4 receptor, I. Sohail, S. A. Laurin, G. Kleinau, V. Chunilal, A. Morton, A. Brenlla, Z. C. U. Kagiali, M. J. Blouin, J. A. Tello, A. G. Beck-Sickinger, M. J. Lohse, P. Scheerer, M. Bouvier, P. McCormick, P. Annibale, H. Biebermann, Nature Communications 2025, 16, 1–19, 10.1038/s41467-025-63988-w
  • The relationship between Sm alloying and structure sensitivity of ceria(111)- and (100)-oriented nanoislands on Cu(111), E. Pożarowska, L. Pleines, M. J. Prieto, L. C. Tănase, L. de Souza Caldas, A. Tiwari, T. Schmidt, J. Falta, C. Morales, J. I. Flege, Physical Chemistry Chemical Physics 2025, 27, 15691–15703, 10.1039/d5cp01171j
  • Morphological and chemical state effects in pulsed CO2 electroreduction on Cu(100) unveiled by correlated spectro-microscopy, L. C. Tănase, M. J. Prieto, L. de Souza Caldas, A. Tiwari, F. Scholten, P. Grosse, A. Martini, J. Timoshenko, T. Schmidt, B. Roldan Cuenya, Nature Catalysis 2025, 8, 881–890, 10.1038/s41929-025-01387-6
  • Spectro-Microscopy of Individual Pt–Rh Core–Shell Nanoparticles during Competing Oxidation and Alloying, J. Dwivedi, L. J. Bachmann, A. Jeromin, S. Kulkarni, H. Noei, L. C. Tănase, A. Tiwari, L. de Souza Caldas, T. Schmidt, B. Roldan Cuenya, A. Stierle, T. F. Keller, ACS Nano 2025, 19, 28516–28529, 10.1021/acsnano.5c07668
  • Cu–Ga Interactions and Support Effects in CO2 Hydrogenation to Methanol Catalyzed by Size-Controlled CuGa Nanoparticles Deposited on SiO2 and ZnO, D. Kordus, J. Timoshenko, N. J. Divins, S. W. Chee, E. Ortega, M. Lopez Luna, U. Hejral, A. Etxebarria, B. Roldan Cuenya, ACS Catalysis 2025, 15, 17241–17254, 10.1021/acscatal.5c03414
  • CO2 Reduction on Copper‐Nitrogen‐Doped Carbon Catalysts Tuned by Pulsed Potential Electrolysis: Effect of Pulse Potential, D. Hursán, J. Timoshenko, A. Martini, H. S. Jeon, E. Ortega, M. Rüscher, A. Bergmann, A. Yoon, U. Hejral, A. Herzog, C. Rettenmaier, F. T. Haase, P. Grosse, B. Roldan Cuenya, Advanced Functional Materials 2025, 10827–0, 10.1002/adfm.202510827