2327 Catalytic Activity and Proton Translocation of Reconstituted Respiratory Complex I Monitored by Surface-Enhanced Infrared Absorption Spectroscopy O. Gutiérrez-Sanz, E. Forbrig, A. P. Batista, M. M. Pereira, J. Salewski, M. A. Mroginski, R. Götz, A. L. De Lacey, J. Kozuch, I. Zebger Langmuir 2018, 34, 5703–5711, 10.1021/acs.langmuir.7b04057
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2324 In situ spectroelectrochemical studies into the formation and stability of robust diazonium-derived interfaces on gold electrodes for the immobilization of an oxygen-tolerant hydrogenase T. G. A. A. Harris, N. Heidary, J. Kozuch, S. Frielingsdorf, O. Lenz, M. A. Mroginski, P. Hildebrandt, I. Zebger, A. Fischer ACS Applied Materials & Interfaces 2018, 10, 23380–23391, 10.1021/acsami.8b02273
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2260 Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase J. Kalms, A. Schmidt, S. Frielingsdorf, T. Utesch, G. Gotthard, D. von Stetten, P. van der Linden, A. Royant, M. A. Mroginski, P. Carpentier, O. Lenz, P. Scheerer Proceedings of the National Academy of Sciences 2018, 115, 10.1073/pnas.1712267115
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2166 Switchable Redox Chemistry of the Hexameric Tyrosine-Coordinated Heme Protein P. Kielb, T. Utesch, J. Kozuch, J. H. Jeoung, H. Dobbek, M. A. Mroginski, P. Hildebrandt, I. Weidinger The Journal of Physical Chemistry B 2017, 121, 3955–3964, 10.1021/acs.jpcb.7b01286
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2165 Carbon Monoxide Dehydrogenase Reduces Cyanate to Cyanide A. Ciaccafava, D. Tombolelli, L. Domnik, J. H. Jeoung, H. Dobbek, M. A. Mroginski, I. Zebger, P. Hildebrandt Angewandte Chemie International Edition 2017, 56, 7398–7401, 10.1002/anie.201703225
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2127 Orientation-Controlled Electrocatalytic Efficiency of an Adsorbed Oxygen-Tolerant Hydrogenase N. Heidary, T. Utesch, M. Zerball, M. Horch, D. Millo, J. Fritsch, O. Lenz, R. von Klitzing, P. Hildebrandt, A. Fischer, M. A. Mroginski, I. Zebger PLOS ONE 2015, 10, 10.1371/journal.pone.0143101
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2097 Domain motions and electron transfer dynamics in 2Fe-superoxide reductase M. Horch, T. Utesch, P. Hildebrandt, M. A. Mroginski, I. Zebger Phys. Chem. Chem. Phys. 2016, 18, 23053–23066, 10.1039/C6CP03666J
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2009 The Molybdenum Active Site of Formate Dehydrogenase Is Capable of Catalyzing C–H Bond Cleavage and Oxygen Atom Transfer Reactions T. Hartmann, P. Schrapers, T. Utesch, M. Nimtz, Y. Rippers, H. Dau, M. A. Mroginski, M. Haumann, S. Leimkühler Biochemistry 2016, 55, 2381–2389, 10.1021/acs.biochem.6b00002
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1991 The role of local and remote amino acid substitutions for optimizing fluorescence in bacteriophytochromes: A case study on iRFP D. Buhrke, F. Velazquez Escobar, L. Sauthof, S. Wilkening, N. Herder, N. N. Tavraz, M. Willoweit, A. Keidel, T. Utesch, M. A. Mroginski, F. J. Schmitt, P. Hildebrandt, T. Friedrich Scientific Reports 2016, 6, 28444– 10.1038/srep28444
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1867 When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase A. Ciaccafava, D. Tombolelli, L. Domnik, J. Fesseler, J. H. Jeoung, H. Dobbek, M. A. Mroginski, I. Zebger, P. Hildebrandt Chem. Sci. 2016, 7, 3162–3171, 10.1039/C5SC04554A
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1697 Resonance Raman Spectroscopic Analysis of the [NiFe] Active Site and the Proximal [4Fe-3S] Cluster of an O2 -Tolerant Membrane-Bound Hydrogenase in the Crystalline State E. Siebert, Y. Rippers, S. Frielingsdorf, J. Fritsch, A. Schmidt, J. Kalms, S. Katz, O. Lenz, P. Scheerer, L. Paasche, V. Pelmenschikov, U. Kuhlmann, M. A. Mroginski, I. Zebger, P. Hildebrandt The Journal of Physical Chemistry B 2015, 119, 13785–13796, 10.1021/acs.jpcb.5b04119
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1652 Surface-Tuned Electron Transfer and Electrocatalysis of Hexameric Tyrosine-Coordinated Heme Protein L. Peng, T. Utesch, A. Yarman, J. H. Jeoung, S. Steinborn, H. Dobbek, M. A. Mroginski, J. Tanne, U. Wollenberger, F. W. Scheller Chemistry - A European Journal 2015, 21, 7596–7602, 10.1002/chem.201405932
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1637 Reversible active site sulfoxygenation can explain the oxygen tolerance of a NAD-reducing [NiFe] hydrogenase and its unusual infrared spectroscopic properties M. Horch, L. Lauterbach, M. A. Mroginski, P. Hildebrandt, O. Lenz, I. Zebger Journal of the American Chemical Society 2015, 137, 2555–2564, 10.1021/ja511154y
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1478 Effect of the Protonation Degree of a Self-Assembled Monolayer on the Immobilization Dynamics of a [NiFe] Hydrogenase T. Utesch, D. Millo, M. A. Castro, P. Hildebrandt, I. Zebger, M. A. Mroginski Langmuir 2013, 29, 673–682, 10.1021/la303635q
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1472 Reductive activation and structural rearrangement in superoxide reductase: a combined infrared spectroscopic and computational study M. Horch, A. F. Pinto, T. Utesch, M. A. Mroginski, C. V. Romão, M. Teixeira, P. Hildebrandt, I. Zebger Phys. Chem. Chem. Phys. 2014, 16, 14220–14230, 10.1039/C4CP00884G
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1471 Metal-induced histidine deprotonation in biocatalysis? Experimental and theoretical insights into superoxide reductase M. Horch, A. F. Pinto, M. A. Mroginski, M. Teixeira, P. Hildebrandt, I. Zebger RSC Adv. 2014, 4, 54091–54095, 10.1039/C4RA11976B
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1416 Resonance Raman spectroscopy on [NiFe] hydrogenase provides structural insights into catalytic intermediates and reactions M. Horch, J. Schoknecht, M. A. Mroginski, O. Lenz, P. Hildebrandt, I. Zebger Journal of the American Chemical Society 2014, 136, 9870–9873, 10.1021/ja505119q
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1331 Simulations of the polarisation-dependent Raman intensity of -carotene in photosystem II crystals K. Brose, A. Zouni, F. Müh, M. A. Mroginski, J. Maultzsch Chemical Physics 2013, 418, 65–73, 10.1016/j.chemphys.2013.03.016
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1315 The Linker Pivot in Ci-VSP: The Key to Unlock Catalysis K. Hobiger, T. Utesch, M. A. Mroginski, G. Seebohm, T. Friedrich, S. Barnes PLoS ONE 2013, 8, 10.1371/journal.pone.0070272
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1161 Resonance Raman Spectroscopy as a Tool to Monitor the Active Site of Hydrogenases E. Siebert, M. Horch, Y. Rippers, J. Fritsch, S. Frielingsdorf, O. Lenz, F. Velazquez Escobar, F. Siebert, L. Paasche, U. Kuhlmann, F. Lendzian, M. A. Mroginski, I. Zebger, P. Hildebrandt Angewandte Chemie International Edition 2013, 52, 5162–5165, 10.1002/anie.201209732
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871 Combining Spectroscopy and Theory to Evaluate Structural Models of Metalloenzymes: A Case Study on the Soluble [NiFe] Hydrogenase from Ralstonia eutropha M. Horch, Y. Rippers, M. A. Mroginski, P. Hildebrandt, I. Zebger ChemPhysChem 2013, 14, 185–191, 10.1002/cphc.201200853
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870 Revealing the Absolute Configuration of the CO and CN- Ligands at the Active Site of a [NiFe] Hydrogenase Y. Rippers, M. Horch, P. Hildebrandt, I. Zebger, M. A. Mroginski ChemPhysChem 2012, 13, 3852–3856, 10.1002/cphc.201200562
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805 Coupling of Ci-VSP Modules Requires a Combination of Structure and Electrostatics within the Linker K. Hobiger, T. Utesch, M. A. Mroginski, T. Friedrich Biophysical Journal 2012, 102, 1313–1322, 10.1016/j.bpj.2012.02.027
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800 Mapping local electric fields in proteins at biomimetic interfaces G. Schkolnik, T. Utesch, J. Salewski, K. Tenger, D. Millo, A. Kranich, I. Zebger, C. Schulz, L. Zimanyi, G. Rakhely, M. A. Mroginski, P. Hildebrandt Chemical Communications 2012, 48, 70–72, 10.1039/c1cc13186a
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774 Insights into the structure of the active site of the O-2-tolerant membrane-bound hydrogenase [NiFe] of R. eutropha H16 by molecular modeling Y. Rippers, T. Utesch, P. Hildebrandt, I. Zebger, M. A. Mroginski Physical Chemistry Chemical Physics 2011, 13, 16146–16149, 10.1039/c1cp21045a
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772 Role of the HoxZ Subunit in the Electron Transfer Pathway of the Membrane-Bound [NiFe]-Hydrogenase from Ralstonia eutropha Immobilized on Electrodes M. Sezer, S. Frielingsdorf, D. Millo, I. Zebger, T. Utesch, M. A. Mroginski, N. Heidary, B. Friedrich, P. Hildebrandt, I. Weidinger Journal of Physical Chemistry B 2011, 115, 10368–10374, 10.1021/jp204665r
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524 Three-Dimensional Structural Model of Chicken Liver Sulfite Oxidase in Its Activated Form T. Utesch, M. A. Mroginski Journal of Physical Chemistry Letters 2010, 1, 2159–2164, 10.1021/jz1005847
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523 Molecular dynamics of phycocyanobilin binding bacteriophytochromes: a detailed study of structural and dynamic properties S. Kaminski, M. A. Mroginski Journal of Physical Chemistry B 2010, 114, 16677–16686, 10.1021/jp104903u
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501 Elucidating photoinduced structural changes in phytochromes by the combined 3 application of resonance Raman spectroscopy and theoretical methods M. A. Mroginski, D. von Stetten, S. Kaminski, F. Velazquez Escobar, N. Michael, G. Daminelli-Widany, P. Hildebrandt Journal of Molecular Structure 2011, 993, 15–25, 10.1016/j.molstruc.2011.02.038
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497 Structure of the Chromophore Binding Pocket in the Pr State of Plant Phytochrome phyA M. A. Mroginski, S. Kaminski, D. von Stetten, S. Ringsdorf, W. Gärtner, L. O. Essen, P. Hildebrandt Journal of Physical Chemistry B 2011, 115, 1220–1231, 10.1021/jp108265h
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492 Redox properties and catalytic activity of surface-bound human sulfite oxidase studied by a combined surface enhanced resonance Raman spectroscopic and electrochemical approach M. Sezer, R. Spricigo, T. Utesch, D. Millo, S. Leimkühler, M. A. Mroginski, U. Wollenberger, P. Hildebrandt, I. Weidinger Physical Chemistry Chemical Physics 2010, 12, 7894–7903, 10.1039/b927226g
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286 The anomaly of the nu-1 resonance Raman band of beta-carotene in solution and in photosystems I and II N. Tschirner, M. Schenderlein, A. Zouni, E. Schlodder, M. A. Mroginski, P. Hildebrandt, C. Thomsen Physica Status Solidi B-Basic Solid State Physics 2009, 246, 2790–2793, 10.1002/pssb.200982299
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285 Vibrational Raman Spectra from the Self Consistent Charge Density Functional Tight Binding Method via classical Time-correlation functions S. Kaminski, M. Gaus, P. Phatak, D. von Stetten, M. Elstner, M. A. Mroginski Journal of Chemical Theory and Computation 2010, 6, 1240–1255, 10.1021/ct900660x
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283 Resonance Raman spectra of beta-carotene in solution and in photosystems revisited: an experimental and theoretical study N. Tschirner, M. Schenderlein, K. Brose, E. Schlodder, M. A. Mroginski, C. Thomsen, P. Hildebrandt Physical Chemistry Chemical Physics 2009, 11, 11471–11478, 10.1039/b917341b
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280 Spectroelectrochemical Study of the [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F in Solution and immobilized on biocompatible Gold surfaces D. Millo, M. E. Pandelia, T. Utesch, N. Wisitruangsakul, M. A. Mroginski, W. Lubitz, P. Hildebrandt, I. Zebger Journal of Physical Chemistry B 2009, 113, 15344–15351, 10.1021/jp906575r
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82 Molecular dynamics simulations of the chromophore binding site of Deinococcus radiodurans bacteriophytochrome using new force field parameters for the phytochromobilin chromophore M. A. Mroginski, G. Daminelli, S. Kaminski Journal of Physical Chemistry B 2009, 113, 945–958, 10.1021/jp8047532
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61 Resonanz-Raman-spektroskopische Untersuchung der Chromophorheterogeneität und Photokonversion von Phytochromkristallen und -lösungen D. von Stetten, M. Günther, P. Scheerer, D. H. Murgida, M. A. Mroginski, N. Krauss, T. Lamparter, J. Zhang, D. M. Anstrom, R. D. Vierstra, K. T. Forest, P. Hildebrandt Angewandte Chemie 2008, 120, 4831–4833, 10.1002/ange.200705716
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60 Chromophore heterogeneity and photoconversion in phytochrome crystals and solutions studied by resonance Raman spectroscopy D. von Stetten, M. Günther, P. Scheerer, D. H. Murgida, M. A. Mroginski, N. Krauss, T. Lamparter, J. Zhang, D. M. Anstrom, R. D. Vierstra, K. T. Forest, P. Hildebrandt Angewandte Chemie International Edition 2008, 47, 4753–4755, 10.1002/anie.200705716
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55 Raman excitation profiles of ß-carotene - novel insights into the nature of the nu(1)band N. Tschirner, M. Schenderlein, K. Brose, E. Schlodder, M. A. Mroginski, P. Hildebrandt, C. Thomsen Physica Status Solidi B-Basic Solid State Physics 2008, 245, 2225–2228, 10.1002/pssb.200879649
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54 Gated electron transfer of yeast iso-1 cytochrome c on SAM-coated electrodes J. Feng, D. H. Murgida, T. Utesch, M. A. Mroginski, P. Hildebrandt, I. M. Weidinger Journal of Physical Chemistry B 2008, 112, 15202–15211, 10.1021/jp8062383
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45 Elucidation of the chromophore structure in phytochrome - a combined resonance Raman spectroscopic and theoretical approach D. von Stetten, M. Günther, S. Kaminski, P. Scheerer, N. Krauss, T. Lamparter, K. T. Forest, R. D. Vierstra, W. Gärtner, D. H. Murgida, M. A. Mroginski, P. Hildebrandt Proceedings of the XXIst International Conference on Raman Spectroscopy Rob Withnall, Babur Z. Chowdhry IM Publications, Charlton, Chichester 2008, 127–129,
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39 Chromophore structure of cyanobacterial phytochrome Cph1 in the Pr state: reconciling structural and spectroscopic data by QM/MM calculations M. A. Mroginski, D. von Stetten, F. Velazquez Escobar, H. M. Strauss, S. Kaminski, P. Scheerer, M. Günther, D. H. Murgida, P. Schmieder, C. Bongards, W. Gärtner, J. Maillet, J. Hughes, L. O. Essen, P. Hildebrandt Biophysical Journal 2009, 96, 4153–4163, 10.1016/j.bpj.2009.02.029
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