Publications 2022

  • Boosting the performance of Ni/Al O for the reverse water gas shift reaction through formation of CuNi nanoalloys, E. Gioria, P. Ingale, F. Pohl, R. Naumann d'Alnoncourt, A. Thomas, F. Rosowski, Catalysis Science & Technology 2022, 12, 474–487, 10.1039/D1CY01585K
  • Competition for Hydride Between Silicon and Boron: Synthesis and Characterization of a Hydroborane‐Stabilized Silylium Ion, H. Gao, R. Müller, E. Irran, H. F. T. Klare, M. Kaupp, M. Oestreich, Chemistry – A European Journal 2022, 10.1002/chem.202104464
  • Tracking the phase changes in micelle-based NiGa nanocatalysts for methanol synthesis under activation and working conditions, U. Hejral, J. Timoshenko, D. Kordus, M. Lopez Luna, N. J. Divins, S. Widrinna, I. Zegkinoglou, L. Pielsticker, H. Mistry, J. A. Boscoboinik, S. Kuehl, B. Roldan Cuenya, Journal of Catalysis 2022, 405, 183–198, 10.1016/j.jcat.2021.11.024
  • Property-reactivity relations of N-doped PEM fuel cell cathode catalyst supports, S. Ott, F. Du, M. Lopez Luna, T. A. Dao, S. Selve, B. Roldan Cuenya, A. Orfanidi, P. Strasser, Applied Catalysis B: Environmental 2022, 306, 121118–0, 10.1016/j.apcatb.2022.121118
  • Cu /Cu decorated N-doped carbonaceous electrocatalysts for the oxygen reduction reaction, J. Kossmann, M. L. Ortíz Sánchez-Manjavacas, H. Zschiesche, N. V. Tarakina, M. Antonietti, J. Albero, N. López-Salas, Journal of Materials Chemistry A 2022, 10.1039/d1ta09459a
  • Peptide epitope-imprinted polymer microarrays for selective protein recognition. Application for SARS-CoV-2 RBD protein, Z. Bognár, E. Supala, A. Yarman, X. Zhang, F. F. Bier, F. W. Scheller, R. E. Gyurcsányi, Chemical Science 2022, 13, 1263–1269, 10.1039/d1sc04502d
  • Determining the oxidation state of elements by X-ray crystallography, F. Lennartz, J. H. Jeoung, S. Ruenger, H. Dobbek, M. S. Weiss, Acta Crystallographica Section D Structural Biology 2022, 78, 238–247, 10.1107/S2059798321013048
  • Electromagnetic Field Enhancement of Nanostructured TiN Electrodes Probed with Surface-Enhanced Raman Spectroscopy, I. H. Öner, C. David, C. J. Querebillo, I. M. Weidinger, K. H. Ly, Sensors 2022, 22, 487–497, 10.3390/s22020487
  • Unusual structures and unknown roles of FeS clusters in metalloenzymes seen from a resonance Raman spectroscopic perspective, G. Caserta, L. Zuccarello, C. Barbosa, C. M. Silveira, E. Moe, S. Katz, P. Hildebrandt, I. Zebger, S. Todorovic, Coordination Chemistry Reviews 2022, 452, 214287–0, 10.1016/j.ccr.2021.214287
  • Reaction barriers on non-conducting surfaces beyond periodic local MP2: Diffusion of hydrogen on α-Al2O3(0001) as a test case, T. Mullan, L. Maschio, P. Saalfrank, D. Usvyat, The Journal of Chemical Physics 2022, 156, 74109–0, 10.1063/5.0082805
  • A Morphing [4Fe‐3S‐nO]‐Cluster within a Carbon Monoxide Dehydrogenase Scaffold, J. Jeoung, J. Fesseler, L. Domnik, F. Klemke, M. Sinnreich, C. Teutloff, H. Dobbek, Angewandte Chemie International Edition 2022, 10.1002/anie.202117000
  • Water on porous, nitrogen-containing layered carbon materials: the performance of computational model chemistries, C. Penschke, R. E. von Zander, A. Beqiraj, A. Zehle, N. Jahn, R. Neumann, P. Saalfrank, Physical Chemistry Chemical Physics 2022, 14709–14726, 10.1039/D2CP00657J
  • Ultrafast proton-coupled isomerization in the phototransformation of phytochrome, Y. Yang, T. Stensitzki, L. Sauthof, A. Schmidt, P. Piwowarski, F. Velazquez Escobar, N. Michael, A. D. Nguyen, M. Szczepek, F. N. Brünig, R. R. Netz, M. A. Mroginski, S. Adam, F. Bartl, I. Schapiro, P. Hildebrandt, P. Scheerer, K. Heyne, Nature Chemistry 2022, 14, 823–830, 10.1038/s41557-022-00944-x
  • Expression and Characterization of Relaxin Family Peptide Receptor 1 Variants, D. Speck, G. Kleinau, M. Meininghaus, A. Erbe, A. Einfeldt, M. Szczepek, P. Scheerer, V. Pütter, Frontiers in Pharmacology 2022, 12, 10.3389/fphar.2021.826112
  • A cytosolic disulfide bridge‐supported dimerization is crucial for stability and cellular distribution of Coxsackievirus B3 protein 3A, M. Voss, G. Kleinau, N. Gimber, K. Janek, C. Bredow, F. Thery, F. Impens, J. Schmoranzer, P. Scheerer, P. Kloetzel, A. Beling, The FEBS Journal 2022, 289, 3826–3838, 10.1111/febs.16368
  • A Look at Real‐World Transition‐Metal Thermochemistry and Kinetics with Local Hybrid Functionals, R. Grotjahn, M. Kaupp, Israel Journal of Chemistry 2022, 10.1002/ijch.202200021
  • Structural basis for coupled ATP-driven electron transfer in the double-cubane cluster protein, J. H. Jeoung, S. Nicklisch, H. Dobbek, Proceedings of the National Academy of Sciences 2022, 119, 10.1073/pnas.2203576119
  • On the Kinetics of CO Reduction by Ni, Fe-CO Dehydrogenases, J. Ruickoldt, Y. Basak, L. Domnik, J. H. Jeoung, H. Dobbek, ACS Catalysis 2022, 13131–13142, 10.1021/acscatal.2c02221
  • Substrate Activation at the Ni,Fe Cluster of CO Dehydrogenases: The Influence of the Protein Matrix, Y. Basak, J. H. Jeoung, L. Domnik, J. Ruickoldt, H. Dobbek, ACS Catalysis 2022, 12711–12719, 10.1021/acscatal.2c02922
  • The closer the better? Theoretical assessment of the impact of catalytic site separation for bifunctional core–shell catalyst particles, G. Brösigke, J. U. Repke, R. Schomäcker, S. Matera, Chemical Engineering Journal 2022, 446, 136891–0, 10.1016/j.cej.2022.136891
  • A Covalent Organic Framework/Graphene Dual-Region Hydrogel for Enhanced Solar-Driven Water Generation, C. Li, S. Cao, J. Lutzki, J. Yang, T. Konegger, F. Kleitz, A. Thomas, Journal of the American Chemical Society 2022, 144, 3083–3090, 10.1021/jacs.1c11689
  • Macroscale Conjugated Microporous Polymers: Controlling Versatile Functionalities Over Several Dimensions, W. Zhang, H. Zuo, Z. Cheng, Y. Shi, Z. Guo, N. Meng, A. Thomas, Y. Liao, Advanced Materials 2022, 34, 2104952–0, 10.1002/adma.202104952
  • Acridine‐Functionalized Covalent Organic Frameworks (COFs) as Photocatalysts for Metallaphotocatalytic C−N Cross‐Coupling, M. Traxler, S. Gisbertz, P. Pachfule, J. Schmidt, J. Roeser, S. Reischauer, J. Rabeah, B. Pieber, A. Thomas, Angewandte Chemie International Edition 2022, 61, 10.1002/anie.202117738
  • Screening of Heterogeneous Photocatalysts for Water Splitting, M. Schwarze, T. A. Thiel, A. G. Rana, J. Yang, A. Acharjya, A. D. Nguyen, S. Tameu Djoko, E. M. Kutorglo, M. Tasbihi, M. Minceva, S. Huseyinova, P. Menezes, C. Walter, M. Driess, R. Schomäcker, A. Thomas, Chemie Ingenieur Technik 2022, 94, 1739–1746, 10.1002/cite.202200070
  • Photocatalytic hydrogenation of acetophenone on a titanium dioxide cellulose film, T. A. Thiel, K. Obata, F. F. Abdi, R. van de Krol, R. Schomäcker, M. Schwarze, RSC Advances 2022, 12, 7055–7065, 10.1039/d1ra09294d
  • Insights into the light-driven hydrogen evolution reaction of mesoporous graphitic carbon nitride decorated with Pt or Ru nanoparticles, I. Álvarez-Prada, A. D. Nguyen, N. Romero, H. Hou, E. Benazzi, L. Escriche, A. Acharjya, A. Thomas, M. Schwarze, R. Schomäcker, X. Sala, M. Natali, J. García-Antón, M. Tasbihi, Dalton Transactions 2022, 51, 731–740, 10.1039/d1dt03006j
  • Infrared Spectroscopy Elucidates the Inhibitor Binding Sites in a Metal‐Dependent Formate Dehydrogenase, K. Laun, B. R. Duffus, S. Wahlefeld, S. Katz, D. Belger, P. Hildebrandt, M. A. Mroginski, S. Leimkühler, I. Zebger, Chemistry – A European Journal 2022, 28, 10.1002/chem.202201091
  • Anchoring an Iridium Pincer Complex in a Hydrophobic Microporous Polymer for Application in Continuous‐Flow Alkane Dehydrogenation, M. König, M. Traxler, M. A. Rudolph, J. Schmidt, H. Küçükkeçeci, R. Schomäcker, A. Thomas, ChemCatChem 2022, 14, 10.1002/cctc.202200811
  • Substrate-Dependent Conformational Switch of the Noncubane [4Fe-4S] Cluster in Heterodisulfide Reductase HdrB, V. Pelmenschikov, D. Ferreira, S. S. Venceslau, P. Hildebrandt, I. A. C. Pereira, S. Todorovic, Journal of the American Chemical Society 2022, 145, 7–11, 10.1021/jacs.2c10885
  • Intermolecular Carbosilylation of α‐Olefins with C(sp )−C(sp) Bond Formation Involving Silylium‐Ion Regeneration, T. He, Z. Qu, H. F. T. Klare, S. Grimme, M. Oestreich, Angewandte Chemie International Edition 2022, 61, 202203347–202203347, 10.1002/anie.202203347
  • Perdeuteration of Deactivated Aryl Halides by H/D Exchange under Superelectrophile Catalysis, T. He, H. F. T. Klare, M. Oestreich, Journal of the American Chemical Society 2022, 144, 4734–4738, 10.1021/jacs.2c00080
  • Reversible Glutamate Coordination to High-Valent Nickel Protects the Active Site of a [NiFe] Hydrogenase from Oxygen, C. J. Kulka-Peschke, A. C. Schulz, C. Lorent, Y. Rippers, S. Wahlefeld, J. Preissler, C. Schulz, C. Wiemann, C. C. M. Bernitzky, C. Karafoulidi-Retsou, S. L. D. Wrathall, B. Procacci, H. Matsuura, G. M. Greetham, C. Teutloff, L. Lauterbach, Y. Higuchi, M. Ishii, N. T. Hunt, O. Lenz, I. Zebger, M. Horch, Journal of the American Chemical Society 2022, 144, 17022–17032, 10.1021/jacs.2c06400
  • Constitutional isomerism of the linkages in donor–acceptor covalent organic frameworks and its impact on photocatalysis, J. Yang, S. Ghosh, J. Roeser, A. Acharjya, C. Penschke, Y. Tsutsui, J. Rabeah, T. Wang, S. Y. Djoko Tameu, M. Y. Ye, J. Grüneberg, S. Li, C. Li, R. Schomäcker, R. Van De Krol, S. Seki, P. Saalfrank, A. Thomas, Nature Communications 2022, 13, 10.1038/s41467-022-33875-9
  • Kinetic investigation of -nitrophenol reduction with photodeposited platinum nanoparticles onto tunicate cellulose, T. A. Thiel, X. Zhang, B. Radhakrishnan, R. van de Krol, F. F. Abdi, M. Schroeter, R. Schomäcker, M. Schwarze, RSC Advances 2022, 12, 30860–30870, 10.1039/d2ra05507d
  • A Minimal Light‐Driven System to Study the Enzymatic CO Reduction of Formate Dehydrogenase, K. Laun, B. R. Duffus, H. Kumar, J. H. Oudsen, C. Karafoulidi‐Retsou, A. Tadjoung Waffo, P. Hildebrandt, K. Hoang Ly, S. Leimkühler, S. Katz, I. Zebger, ChemCatChem 2022, 14, 10.1002/cctc.202201067
  • High-Yield Production of Catalytically Active Regulatory [NiFe]-Hydrogenase From Cupriavidus necator in Escherichia coli, Q. Fan, G. Caserta, C. Lorent, I. Zebger, P. Neubauer, O. Lenz, M. Gimpel, Frontiers in Microbiology 2022, 13, 10.3389/fmicb.2022.894375
  • An Intermetallic CaFe Ge Approach to Unprecedented Ca−Fe−O Electrocatalyst for Efficient Alkaline Oxygen Evolution Reaction, H. Yang, J. N. Hausmann, V. Hlukhyy, T. Braun, K. Laun, I. Zebger, M. Driess, P. W. Menezes, ChemCatChem 2022, 14, 10.1002/cctc.202200293
  • How an ACE2 mimicking epitope-MIP nanofilm recognizes template-related peptides and the receptor binding domain of SARS-CoV-2, X. Zhang, A. T. Waffo, A. Yarman, N. Kovács, Z. Bognár, U. Wollenberger, I. M. El-Sherbiny, R. Y. A. Hassan, F. F. Bier, R. E. Gyurcsányi, I. Zebger, F. W. Scheller, Nanoscale 2022, 14, 18106–18114, 10.1039/D2NR03898F
  • Understanding 2D-IR Spectra of Hydrogenases: A Descriptive and Predictive Computational Study, Y. Rippers, B. Procacci, N. T. Hunt, M. Horch, Catalysts 2022, 12, 988–0, 10.3390/catal12090988
  • Ultrafast 2D-IR spectroscopy of [NiFe] hydrogenase from reveals the role of the protein scaffold in controlling the active site environment, S. L. D. Wrathall, B. Procacci, M. Horch, E. Saxton, C. Furlan, J. Walton, Y. Rippers, J. N. Blaza, G. M. Greetham, M. Towrie, A. W. Parker, J. Lynam, A. Parkin, N. T. Hunt, Physical Chemistry Chemical Physics 2022, 24, 24767–24783, 10.1039/d2cp04188j
  • Eine sp‐Kohlenstoffhaltige Leitfähige Metallorganische Gerüstverbindung als Photokathode für die Photoelektrochemische Wasserstoffentwicklung, Y. Lu, H. Zhong, J. Li, A. M. Dominic, Y. Hu, Z. Gao, Y. Jiao, M. Wu, H. Qi, C. Huang, L. J. Wayment, U. Kaiser, E. Spiecker, I. M. Weidinger, W. Zhang, X. Feng, R. Dong, Angewandte Chemie 2022, 134, 10.1002/ange.202208163
  • A Thiolate‐Bound Dimanganese Cluster as a Structural and Functional Model for Class Ib Ribonucleotide Reductases, B. Battistella, T. Lohmiller, B. Cula, P. Hildebrandt, U. Kuhlmann, H. Dau, S. Mebs, K. Ray, Angewandte Chemie International Edition 2022, 10.1002/anie.202217076
  • Spectroscopic Properties of a Biologically Relevant [Fe2(μ‐O)2] Diamond Core Motif with a Short Iron‐Iron distance, D. Kass, S. Yao, K. Krause, T. Corona, L. Richter, T. Braun, S. Mebs, M. Haumann, H. Dau, T. Lohmiller, C. Limberg, M. Drieß, K. Ray, Angewandte Chemie International Edition 2022, 10.1002/anie.202209437
  • Reviving Oxygen Evolution Electrocatalysis of Bulk La‐Ni Intermetallics via Gaseous Hydrogen Engineering, Z. Chen, H. Yang, S. Mebs, H. Dau, M. Driess, Z. Wang, Z. Kang, P. W. Menezes, Advanced Materials 2022, 10.1002/adma.202208337
  • Oxygen Evolution Activity of Amorphous Cobalt Oxyhydroxides: Interconnecting Precatalyst Reconstruction, Long‐Range Order, Buffer‐Binding, Morphology, Mass Transport, and Operation Temperature, J. N. Hausmann, S. Mebs, H. Dau, M. Driess, P. W. Menezes, Advanced Materials 2022, 34, 1–14, 10.1002/adma.202207494
  • Nanostructured Intermetallic Nickel Silicide (Pre)Catalyst for Anodic Oxygen Evolution Reaction and Selective Dehydrogenation of Primary Amines, I. Mondal, J. N. Hausmann, G. Vijaykumar, S. Mebs, H. Dau, M. Driess, P. W. Menezes, Advanced Energy Materials 2022, 12, 1–10, 10.1002/aenm.202200269
  • Spectroscopic Properties of a Biologically Relevant [Fe2(μ‐O)2] Diamond Core Motif with a Short Iron‐Iron distance, D. Kass, S. Yao, K. Krause, T. Corona, L. Richter, T. Braun, S. Mebs, M. Haumann, H. Dau, T. Lohmiller, C. Limberg, M. Drieß, K. Ray, Angewandte Chemie 2022, 10.1002/ange.202209437
  • The influence of secondary interactions on the [Ni(O2)]+ mediated aldehyde oxidation reactions, B. Battistella, K. Warm, B. Cula, B. Lu, P. Hildebrandt, U. Kuhlmann, H. Dau, S. Mebs, K. Ray, Journal of Inorganic Biochemistry 2022, 227, 111668–0, 10.1016/j.jinorgbio.2021.111668
  • Evidence of Sulfur Non‐Innocence in [Co (dithiacyclam)] ‐Mediated Catalytic Oxygen Reduction Reactions, B. Battistella, L. Iffland‐Mühlhaus, M. Schütze, B. Cula, U. Kuhlmann, H. Dau, P. Hildebrandt, T. Lohmiller, S. Mebs, U. Apfel, K. Ray, Angewandte Chemie International Edition 2022, 10.1002/anie.202214074
  • Modelling the coordination environment in α‐ketoglutarate dependent oxygenases – a comparative study on the effect of N‐ vs. O‐ligation, K. Warm, D. Kass, M. Haumann, H. Dau, K. Ray, Zeitschrift für Anorganische und Allgemeine Chemie 2022, 648, 10.1002/zaac.202100310
  • Direct Detection of Bound Ammonium Ions in the Selectivity Filter of Ion Channels by Solid-State NMR, C. Öster, K. Tekwani Movellan, B. Goold, K. Hendriks, S. Lange, S. Becker, B. L. de Groot, W. Kopec, L. B. Andreas, A. Lange, Journal of the American Chemical Society 2022, 144, 4147–4157, 10.1021/jacs.1c13247
  • Photoactivation of a Mechanosensitive Channel, F. Crea, A. Vorkas, A. Redlich, R. Cruz, C. Shi, D. Trauner, A. Lange, R. Schlesinger, J. Heberle, Frontiers in Molecular Biosciences 2022, 9, 10.3389/fmolb.2022.905306
  • Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts, M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P. Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 2022, 10.1002/chem.202202967
  • QuasAr Odyssey: the origin of fluorescence and its voltage sensitivity in microbial rhodopsins, A. Silapetere, S. Hwang, Y. Hontani, R. G. Fernandez Lahore, J. Balke, F. V. Escobar, M. Tros, P. E. Konold, R. Matis, R. Croce, P. J. Walla, P. Hildebrandt, U. Alexiev, J. T. M. Kennis, H. Sun, T. Utesch, P. Hegemann, Nature Communications 2022, 13, 10.1038/s41467-022-33084-4
  • Potential Distribution across Model Membranes, T. Utesch, J. Staffa, S. Katz, G. Yao, J. Kozuch, P. Hildebrandt, The Journal of Physical Chemistry B 2022, 126, 7664–7675, 10.1021/acs.jpcb.2c05372
  • Probing Factor Xa Protein–Ligand Interactions: Accurate Free Energy Calculations and Experimental Validations of Two Series of High-Affinity Ligands, M. I. Fernández-Bachiller, S. Hwang, M. E. Schembri, P. Lindemann, M. Guberman, S. Herziger, E. Specker, H. Matter, D. W. Will, J. Czech, M. Wagner, A. Bauer, H. Schreuder, K. Ritter, M. Urmann, V. Wehner, H. Sun, M. Nazaré, Journal of Medicinal Chemistry 2022, 65, 13013–13028, 10.1021/acs.jmedchem.2c00865
  • Human endonuclease III/NTH1: focusing on the [4Fe–4S] cluster and the N-terminal domain, E. Moe, C. M. Silveira, L. Zuccarello, F. Rollo, M. Stelter, S. De Bonis, C. Kulka-Peschke, S. Katz, P. Hildebrandt, I. Zebger, J. Timmins, S. Todorovic, Chemical Communications 2022, 58, 12568–12571, 10.1039/D2CC03643F
  • Electron transfer between cytochrome c and microsomal monooxygenase generates reactive oxygen species that accelerates apoptosis, H. Xie, L. Song, S. Katz, J. Zhu, Y. Liu, J. Tang, L. Cai, P. Hildebrandt, X. X. Han, Redox Biology 2022, 53, 102340–0, 10.1016/j.redox.2022.102340
  • Monitoring the Progression of Cell-Free Expression of Microbial Rhodopsins by Surface Enhanced IR Spectroscopy: Resolving a Branch Point for Successful/Unsuccessful Folding, K. Ataka, A. Baumann, J. L. Chen, A. Redlich, J. Heberle, R. Schlesinger, Frontiers in Molecular Biosciences 2022, 9, 1–9, 10.3389/fmolb.2022.929285
  • Membrane Protein Activity Induces Specific Molecular Changes in Nanodiscs Monitored by FTIR Difference Spectroscopy, F. Baserga, A. Vorkas, F. Crea, L. Schubert, J. L. Chen, A. Redlich, M. La Greca, J. Storm, S. Oldemeyer, K. Hoffmann, R. Schlesinger, J. Heberle, Frontiers in Molecular Biosciences 2022, 9, 1–12, 10.3389/fmolb.2022.915328
  • Trapping an Oxidized and Protonated Intermediate of the [FeFe]-Hydrogenase Cofactor under Mildly Reducing Conditions, M. Senger, J. Duan, M. V. Pavliuk, U. P. Apfel, M. Haumann, S. T. Stripp, Inorganic Chemistry 2022, 61, 10036–10042, 10.1021/acs.inorgchem.2c00954
  • Advances in computational methods for ligand binding kinetics, F. Sohraby, A. Nunes-Alves, Trends in Biochemical Sciences 2022, 10.1016/j.tibs.2022.11.003
  • Intraligand Charge Transfer Enables Visible‐Light‐Mediated Nickel‐Catalyzed Cross‐Coupling Reactions**, C. Cavedon, S. Gisbertz, S. Reischauer, S. Vogl, E. Sperlich, J. H. Burke, R. F. Wallick, S. Schrottke, W. Hsu, L. Anghileri, Y. Pfeifer, N. Richter, C. Teutloff, H. Müller‐Werkmeister, D. Cambié, P. H. Seeberger, J. Vura‐Weis, R. M. van der Veen, A. Thomas, B. Pieber, Angewandte Chemie International Edition 2022, 61, 1–10, 10.1002/anie.202211433
  • Does Tyrosine Protect Laccase from Oxidative Degradation or Act as an Extended Catalytic Site?, P. J. Kielb, C. Teutloff, R. Bittl, H. B. Gray, J. R. Winkler, The Journal of Physical Chemistry B 2022, 126, 7943–7949, 10.1021/acs.jpcb.2c04835