UniSysCat Publications

• A high-spin alkylperoxo–iron( ) complex with -anionic ligands: implications for the superoxide reductase mechanism, T. Devi, K. Dutta, J. Deutscher, S. Mebs, U. Kuhlmann, M. Haumann, B. Cula, H. Dau, P. Hildebrandt, K. Ray, Chemical Science 2024, 15, 528–533, 10.1039/d3sc05603a
• A New 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 2023, 10.1002/anie.202217076
• Role of Potassium in Electrocatalytic Water Oxidation Investigated in a Volume‐Active Cobalt Material at Neutral pH, S. Liu, S. Farhoosh, P. Beyer, S. Mebs, I. Zaharieva, M. Haumann, H. Dau, Advanced Sustainable Systems 2023, 7, 10.1002/adsu.202300008
• Oxygen Evolution Reaction by Silicate-Stabilized Manganese Oxide, Z. Zand, M. R. Mohammadi, A. S. Sologubenko, S. Handschin, R. Bagheri, P. Chernev, Z. Song, H. Dau, M. M. Najafpour, ACS Applied Energy Materials 2023, 6, 1702–1713, 10.1021/acsaem.2c03587
• The electron–proton bottleneck of photosynthetic oxygen evolution, P. Greife, M. Schönborn, M. Capone, R. Assunção, D. Narzi, L. Guidoni, H. Dau, Nature 2023, 617, 623–628, 10.1038/s41586-023-06008-5
• Tuning electrocatalytic water oxidation by MnO through the incorporation of abundant metal cations, J. Melder, S. Mebs, F. Lessing, H. Dau, P. Kurz, Sustainable Energy & Fuels 2023, 7, 92–105, 10.1039/d2se01401g
• Protein structure prediction with in-cell photo-crosslinking mass spectrometry and deep learning, K. Stahl, A. Graziadei, T. Dau, O. Brock, J. Rappsilber, Nature Biotechnology 2023, 10.1038/s41587-023-01704-z
• Applicability of Transition State Theory to the (Proton-Coupled) Electron Transfer in Photosynthetic Water Oxidation with Emphasis on the Entropy of Activation, H. Dau, P. Greife, Inorganics 2023, 11, 389–0, 10.3390/inorganics11100389
• Spectroscopic Properties of a Biologically Relevant [Fe (μ‐O) ] Diamond Core Motif with a Short Iron‐Iron Distance, D. Kass, S. Yao, K. B. 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 2023, 62, 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 2023, 35, 10.1002/adma.202208337
• In Situ Detection of Iron in Oxidation States ≥ IV in Cobalt‐Iron Oxyhydroxide Reconstructed during Oxygen Evolution Reaction, L. Reith, J. N. Hausmann, S. Mebs, I. Mondal, H. Dau, M. Driess, P. W. Menezes, Advanced Energy Materials 2023, 13, 10.1002/aenm.202203886
• 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
• 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
• 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
• Comparative Spectroscopic Study Revealing Why the CO Electroreduction Selectivity Switches from CO to HCOO at Cu–Sn- and Cu–In-Based Catalysts, G. A. El-Nagar, F. Yang, S. Stojkovikj, S. Mebs, S. Gupta, I. Y. Ahmet, H. Dau, M. T. Mayer, ACS Catalysis 2022, 12, 15576–15589, 10.1021/acscatal.2c04419
• Electrocatalytic Water Oxidation at Neutral pH–Deciphering the Rate Constraints for an Amorphous Cobalt‐Phosphate Catalyst System, S. Liu, I. Zaharieva, L. D'Amario, S. Mebs, P. Kubella, F. Yang, P. Beyer, M. Haumann, H. Dau, Advanced Energy Materials 2022, 12, 10.1002/aenm.202202914
• 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, 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, 10.1002/aenm.202200269
• 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, 62, 10.1002/anie.202214074
• Evolving Highly Active Oxidic Iron(III) Phase from Corrosion of Intermetallic Iron Silicide to Master Efficient Electrocatalytic Water Oxidation and Selective Oxygenation of 5‐Hydroxymethylfurfural, J. N. Hausmann, R. Beltrán‐Suito, S. Mebs, V. Hlukhyy, T. F. Fässler, H. Dau, M. Driess, P. W. Menezes, Advanced Materials 2021, 33, 1–9, 10.1002/adma.202008823
• Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation, J. H. Jeoung, S. Rünger, M. Haumann, B. Neumann, F. Klemke, V. Davis, A. Fischer, H. Dau, U. Wollenberger, H. Dobbek, Inorganic Chemistry 2021, 60, 17498–17508, 10.1021/acs.inorgchem.1c01919
• Spectroscopic Characterization of a Reactive [Cu (μ‐OH) ] Intermediate in Cu/TEMPO Catalyzed Aerobic Alcohol Oxidation Reaction, K. Warm, G. Tripodi, E. Andris, S. Mebs, U. Kuhlmann, H. Dau, P. Hildebrandt, J. Roithová, K. Ray, Angewandte Chemie International Edition 2021, 60, 23018–23024, 10.1002/anie.202108442
• A Pseudotetrahedral Terminal Oxoiron(IV) Complex: Mechanistic Promiscuity in C−H Bond Oxidation Reactions, K. Warm, A. Paskin, U. Kuhlmann, E. Bill, M. Swart, M. Haumann, H. Dau, P. Hildebrandt, K. Ray, Angewandte Chemie International Edition 2021, 60, 6752–6756, 10.1002/anie.202015896
• A bioinspired oxoiron( ) motif supported on a N S macrocyclic ligand, J. Deutscher, P. Gerschel, K. Warm, U. Kuhlmann, S. Mebs, M. Haumann, H. Dau, P. Hildebrandt, U. P. Apfel, K. Ray, Chemical Communications 2021, 57, 2947–2950, 10.1039/d1cc00250c
• Combination of Highly Efficient Electrocatalytic Water Oxidation with Selective Oxygenation of Organic Substrates using Manganese Borophosphates, P. W. Menezes, C. Walter, B. Chakraborty, J. N. Hausmann, I. Zaharieva, A. Frick, E. Hauff, H. Dau, M. Driess, Advanced Materials 2021, 33, 2004098–0, 10.1002/adma.202004098
• Stoichiometric Formation of an Oxoiron(IV) Complex by a Soluble Methane Monooxygenase Type Activation of O at an Iron(II)-Cyclam Center, D. Kass, T. Corona, K. Warm, B. Braun-Cula, U. Kuhlmann, E. Bill, S. Mebs, M. Swart, H. Dau, M. Haumann, P. Hildebrandt, K. Ray, Journal of the American Chemical Society 2020, 142, 5924–5928, 10.1021/jacs.9b13756
• Detecting structural transformation of cobalt phosphonate to active bifunctional catalysts for electrochemical water-splitting, A. Indra, P. W. Menezes, I. Zaharieva, H. Dau, M. Driess, Journal of Materials Chemistry A 2020, 8, 2637–2643, 10.1039/C9TA09775A
• Operando Raman spectroscopy tracks oxidation-state changes in an amorphous Co oxide material for electrocatalysis of the oxygen evolution reaction, C. Pasquini, L. D’Amario, I. Zaharieva, H. Dau, The Journal of Chemical Physics 2020, 152, 194202–0, 10.1063/5.0006306
• A synthetic manganese–calcium cluster similar to the catalyst of Photosystem II: challenges for biomimetic water oxidation, Y. Mousazade, M. R. Mohammadi, R. Bagheri, R. Bikas, P. Chernev, Z. Song, T. Lis, M. Siczek, N. Noshiranzadeh, S. Mebs, H. Dau, I. Zaharieva, M. M. Najafpour, Dalton Transactions 2020, 49, 5597–5605, 10.1039/d0dt00536c
• Exploring the Limits of Self-Repair in Cobalt Oxide Films for Electrocatalytic Water Oxidation, M. R. Mohammadi, S. Loos, P. Chernev, C. Pasquini, I. Zaharieva, D. González-Flores, P. Kubella, K. Klingan, R. D. L. Smith, H. Dau, ACS Catalysis 2020, 10, 7990–7999, 10.1021/acscatal.0c01944
• Catalytic dioxygen reduction mediated by a tetranuclear cobalt complex supported on a stannoxane core, A. Chandra, S. Mebs, S. Kundu, U. Kuhlmann, P. Hildebrandt, H. Dau, K. Ray, Dalton Transactions 2020, 49, 6065–6073, 10.1039/d0dt00475h
• pH‐Dependent Protonation of Surface Carboxylate Groups in PsbO Enables Local Buffering and Triggers Structural Changes, L. Gerland, D. Friedrich, L. Hopf, E. J. Donovan, A. Wallmann, N. Erdmann, A. Diehl, M. Bommer, K. Buzar, M. Ibrahim, P. Schmieder, H. Dobbek, A. Zouni, A. Bondar, H. Dau, H. Oschkinat, ChemBioChem 2020, 21, 1597–1604, 10.1002/cbic.201900739
• A soft molecular 2Fe–2As precursor approach to the synthesis of nanostructured FeAs for efficient electrocatalytic water oxidation, R. Beltrán-Suito, V. Forstner, J. N. Hausmann, S. Mebs, J. Schmidt, I. Zaharieva, K. Laun, I. Zebger, H. Dau, P. W. Menezes, M. Driess, Chemical Science 2020, 11, 11834–11842, 10.1039/D0SC04384B
• Understanding the formation of bulk- and surface-active layered (oxy)hydroxides for water oxidation starting from a cobalt selenite precursor, J. N. Hausmann, S. Mebs, K. Laun, I. Zebger, H. Dau, P. W. Menezes, M. Driess, Energy & Environmental Science 2020, 13, 3607–3619, 10.1039/D0EE01912G
• Investigating the Structure and Dynamics of Apo‐Photosystem II, R. Han, K. Rempfer, M. Zhang, H. Dobbek, A. Zouni, H. Dau, S. Luber, ChemCatChem 2019, 11, 4072–4080, 10.1002/cctc.201900351
• Carbon fibre paper coated by a layered manganese oxide: a nano-structured electrocatalyst for water-oxidation with high activity over a very wide pH range, J. Melder, S. Mebs, P. A. Heizmann, R. Lang, H. Dau, P. Kurz, Journal of Materials Chemistry A 2019, 7, 25333–25346, 10.1039/c9ta08804k
• Electromodified NiFe Alloys as Electrocatalysts for Water Oxidation: Mechanistic Implications of Time‐Resolved UV/Vis Tracking of Oxidation State Changes, S. Loos, I. Zaharieva, P. Chernev, A. Lißner, H. Dau, ChemSusChem 2019, 12, 1966–1976, 10.1002/cssc.201802737