Publications 2019

Identification of YdhV as the First Molybdoenzyme Binding a Bis-Mo-MPT Cofactor in S. Reschke, B. R. Duffus, P. Schrapers, S. Mebs, C. Teutloff, H. Dau, M. Haumann, S. Leimkühler Biochemistry 2019, 58, 2228–2242, 10.1021/acs.biochem.9b00078

Spectroscopic, thermodynamic and computational evidence of the locations of the FADs in the nitrogen fixation-associated electron transfer flavoprotein N. Mohamed-Raseek, H. D. Duan, P. Hildebrandt, M. A. Mroginski, A. F. Miller Chemical Science 2019, 10, 7762–7772, 10.1039/c9sc00942f

The C-Terminal VPRTES Tail of LL-37 Influences the Mode of Attachment to a Lipid Bilayer and Antimicrobial Activity A. de Miguel Catalina, E. Forbrig, J. Kozuch, C. Nehls, L. Paulowski, T. Gutsmann, P. Hildebrandt, M. A. Mroginski Biochemistry 2019, 58, 2447–2462, 10.1021/acs.biochem.8b01297

On the pH-Modulated Ru-Based Prodrug Activation Mechanism M. Caterino, M. Herrmann, A. Merlino, C. Riccardi, D. Montesarchio, M. A. Mroginski, D. Musumeci, F. Ruffo, L. Paduano, P. Hildebrandt, J. Kozuch, A. Vergara Inorganic Chemistry 2019, 58, 1216–1223, 10.1021/acs.inorgchem.8b02667

Chromophore binding to two cysteines increases quantum yield of near-infrared fluorescent proteins D. Buhrke, N. N. Tavraz, D. M. Shcherbakova, L. Sauthof, M. Moldenhauer, F. Vélazquez Escobar, V. V. Verkhusha, P. Hildebrandt, T. Friedrich Scientific Reports 2019, 9, 10.1038/s41598-018-38433-2

Revealing the Mechanism of Multiwalled Carbon Nanotube Growth on Supported Nickel Nanoparticles by in Situ Synchrotron X-ray Diffraction, Density Functional Theory, and Molecular Dynamics Simulations A. Gili, L. Schlicker, M. F. Bekheet, O. Görke, D. Kober, U. Simon, P. Littlewood, R. Schomäcker, A. Doran, D. Gaissmaier, T. Jacob, S. Selve, A. Gurlo ACS Catalysis 2019, 9, 6999–7011, 10.1021/acscatal.9b00733

Anion Binding and Oxidative Modification at the Molybdenum Cofactor of Formate Dehydrogenase from Studied by X-ray Absorption Spectroscopy B. R. Duffus, P. Schrapers, N. Schuth, S. Mebs, H. Dau, S. Leimkühler, M. Haumann Inorganic Chemistry 2019, 59, 214–225, 10.1021/acs.inorgchem.9b01613

Uncovering The Role of Oxygen in Ni-Fe(OxHy) Electrocatalysts using In situ Soft X-ray Absorption Spectroscopy during the Oxygen Evolution Reaction D. Drevon, M. Görlin, P. Chernev, L. Xi, H. Dau, K. M. Lange Scientific Reports Scientific Reports 2019, 9, 10.1038/s41598-018-37307-x

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

Helical cobalt borophosphates to master durable overall water-splitting P. W. Menezes, A. Indra, I. Zaharieva, C. Walter, S. Loos, S. Hoffmann, R. Schlögl, H. Dau, M. Driess Energy & Environmental Science 2019, 12, 988–999, 10.1039/c8ee01669k

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

Structure and Dynamics of the Rhomboid Protease GlpG in Liposomes Studied by Solid-State NMR C. Shi, C. Öster, C. Bohg, L. Li, S. Lange, V. Chevelkov, A. Lange Journal of the American Chemical Society Journal of the American Chemical Society 2019, 141, 17314–17321, 10.1021/jacs.9b08952

Trapping of a Highly Reactive Oxoiron(IV) Complex in the Catalytic Epoxidation of Olefins by Hydrogen Peroxide X. Engelmann, D. D. Malik, T. Corona, K. Warm, E. R. Farquhar, M. Swart, W. Nam, K. Ray Angewandte Chemie International Edition 2019, 58, 4012–4016, 10.1002/anie.201812758

Using alcohols as simple H -equivalents for copper-catalysed transfer semihydrogenations of alkynes T. Kaicharla, B. M. Zimmermann, M. Oestreich, J. F. Teichert Chemical Communications 2019, 55, 13410–13413, 10.1039/C9CC06637C

Molecular Structural Motifs and O2 Activation Inspired by Enzymes and Solid Catalysts S. Yelin, C. Limberg Catalysis Letters 2019, 150, 1–11, 10.1007/s10562-019-02918-0

Solenodon genome reveals convergent evolution of venom in eulipotyphlan mammals N. R. Casewell, D. Petras, D. C. Card, V. Suranse, A. M. Mychajliw, D. Richards, I. Koludarov, L. O. Albulescu, J. Slagboom, B. F. Hempel, N. M. Ngum, R. J. Kennerley, J. L. Brocca, G. Whiteley, R. A. Harrison, F. M. S. Bolton, J. Debono, F. J. Vonk, J. Alföldi, J. Johnson, E. K. Karlsson, K. Lindblad-Toh, I. R. Mellor, R. D. Süssmuth, B. G. Fry, S. Kuruppu, W. C. Hodgson, J. Kool, T. A. Castoe, I. Barnes, K. Sunagar, E. A. B. Undheim, S. T. Turvey Proceedings of the National Academy of Sciences 2019, 116, 25745–25755, 10.1073/pnas.1906117116

Lichenicidin rational site‐directed mutagenesis library: A tool to generate bioengineered lantibiotics J. Barbosa, T. Caetano, E. Mösker, R. Süssmuth, S. Mendo Biotechnology and Bioengineering 2019, 116, 3053–3062, 10.1002/bit.27130

Intact protein mass spectrometry reveals intraspecies variations in venom composition of a local population of Vipera kaznakovi in Northeastern Turkey D. Petras, B. F. Hempel, B. Göçmen, M. Karis, G. Whiteley, S. C. Wagstaff, P. Heiss, N. R. Casewell, A. Nalbantsoy, R. D. Süssmuth Journal of Proteomics 2019, 199, 31–50, 10.1016/j.jprot.2019.02.004

Comparison of actinomycin peptide synthetase formation in and I. Crnovčić, M. Lang, I. Ortel, R. D. Süssmuth, U. Keller Journal of Basic Microbiology 2019, 59, 148–157, 10.1002/jobm.201800244

Three-Dimensional Bioelectrodes Utilizing Graphene Based Bioink R. M. L. Werchmeister, J. Tang, X. Xiao, U. Wollenberger, H. A. Hjuler, J. Ulstrup, J. Zhang Journal of The Electrochemical Society Journal of the Electrochemical Society 2019, 166, 10.1149/2.0261916jes

X‐ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases Y. Ilina, C. Lorent, S. Katz, J. Jeoung, S. Shima, M. Horch, I. Zebger, H. Dobbek Angewandte Chemie International Edition 2019, 58, 18710–18714, 10.1002/anie.201908258

Direct Identification of Acetaldehyde Formation and Characterization of the Active Site in the [VPO ] /C H Couple by Gas‐Phase Vibrational Spectroscopy Y. Li, S. Debnath, M. Schlangen, W. Schöllkopf, K. R. Asmis, H. Schwarz Angewandte Chemie International Edition 2019, 58, 18868–18872, 10.1002/anie.201911040

Discriminating changes in intracellular NADH/NAD+ levels due to anoxicity and H2 supply in R. eutropha cells using the Frex fluorescence sensor S. Wilkening, F. J. Schmitt, O. Lenz, I. Zebger, M. Horch, T. Friedrich Biochimica et Biophysica Acta (BBA) - Bioenergetics 2019, 1860, 148062– 10.1016/j.bbabio.2019.148062

Cascade Biotransformation to Access 3‐Methylpiperidine in Whole Cells N. Borlinghaus, L. Weinmann, F. Krimpzer, P. N. Scheller, A. Al‐Shameri, L. Lauterbach, A. Coquel, C. Lattemann, B. Hauer, B. M. Nestl ChemCatChem 2019, 11, 5738–5742, 10.1002/cctc.201900702

How to make the reducing power of H2 available for in vivo biosyntheses and biotransformations L. Lauterbach, O. Lenz Current Opinion in Chemical Biology 2019, 49, 91–96, 10.1016/j.cbpa.2018.11.020

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

Complete cleavage of the N≡N triple bond by Ta N via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle C. Geng, J. Li, T. Weiske, H. Schwarz Proceedings of the National Academy of Sciences 2019, 116, 21416–21420, 10.1073/pnas.1913664116

A Reaction‐Induced Localization of Spin Density Enables Thermal C−H Bond Activation of Methane by Pristine FeC C. Geng, J. Li, T. Weiske, H. Schwarz Chemistry – A European Journal 2019, 25, 12940–12945, 10.1002/chem.201902572

O−O Bond Formation and Liberation of Dioxygen Mediated by N ‐Coordinate Non‐Heme Iron(IV) Complexes N. Kroll, I. Speckmann, M. Schoknecht, J. Gülzow, M. Diekmann, J. Pfrommer, A. Stritt, M. Schlangen, A. Grohmann, G. Hörner Angewandte Chemie International Edition 2019, 58, 13472–13478, 10.1002/anie.201903902

Silicon‐Mediated Coupling of Carbon Monoxide, Ammonia, and Primary Amines to Form Acetamides M. Luecke, A. Kostenko, Y. Wang, S. Yao, M. Driess Angewandte Chemie International Edition 2019, 58, 12940–12944, 10.1002/anie.201904361

Ni Single Atom Catalysts for CO Activation M. M. Millet, G. Algara-Siller, S. Wrabetz, A. Mazheika, F. Girgsdies, D. Teschner, F. Seitz, A. Tarasov, S. V. Levchenko, R. Schlögl, E. Frei Journal of the American Chemical Society 2019, 141, 2451–2461, 10.1021/jacs.8b11729

Reassessment of the Mechanisms of Thermal C−H Bond Activation of Methane by Cationic Magnesium Oxides: A Critical Evaluation of the Suitability of Different Density Functionals T. Tian, X. Sun, T. Weiske, Y. Cai, C. Geng, J. Li, H. Schwarz ChemPhysChem 2019, 20, 1812–1821, 10.1002/cphc.201900508

Crystallographic and electronic evolution of lanthanum strontium ferrite (La Sr FeO ) thin film and bulk model systems during iron exsolution T. Götsch, N. Köpfle, M. Grünbacher, J. Bernardi, E. A. Carbonio, M. Hävecker, A. Knop-Gericke, M. F. Bekheet, L. Schlicker, A. Doran, A. Gurlo, A. Franz, B. Klötzer, S. Penner Physical Chemistry Chemical Physics 2019, 21, 3781–3794, 10.1039/C8CP07743F

High specific surface area ordered mesoporous silica COK-12 with tailored pore size L. M. Henning, D. D. Cubas, M. G. Colmenares, J. Schmidt, M. F. Bekheet, B. R. Pauw, A. Gurlo, U. Simon Microporous and Mesoporous Materials 2019, 280, 133–143, 10.1016/j.micromeso.2019.01.050

Three-Dimensional Sulfite Oxidase Bioanodes Based on Graphene Functionalized Carbon Paper for Sulfite/O Biofuel Cells J. Tang, R. M. L. Werchmeister, L. Preda, W. Huang, Z. Zheng, S. Leimkühler, U. Wollenberger, X. Xiao, C. Engelbrekt, J. Ulstrup, J. Zhang ACS Catalysis 2019, 9, 6543–6554, 10.1021/acscatal.9b01715

Advanced Nonlinear Multi-Layer Process Control for Autotrophic Cultivations F. Neddermeyer, R. King IFAC Symposium on Dynamics and Control of Process Systems including Biosystems Proceedings 2019 2019, 12,

Transfer Hydrocyanation of α- and α,β-Substituted Styrenes Catalyzed by Boron Lewis Acids P. Orecchia, W. Yuan, M. Oestreich Angewandte Chemie International Edition 2019, 58, 3579–3583, 10.1002/anie.201813853

Thermal Activation of CH and H as Mediated by the Ruthenium Oxide Cluster Ions [RuO ] ( 1–3): On the Influence of Oxidation States X. Sun, S. Zhou, L. Yue, M. Schlangen, H. Schwarz Chemistry – A European Journal 2019, 25, 3550–3559, 10.1002/chem.201806187

On the Remarkable Role of the Nitrogen Ligand in the Gas-Phase Redox Reaction of the N O/CO Couple Catalyzed by [NbN] X. Sun, S. Zhou, L. Yue, C. Guo, M. Schlangen, H. Schwarz Angewandte Chemie International Edition 2019, 58, 3635–3639, 10.1002/anie.201814460

Tuning the Reactivities of the Heteronuclear [Al V O ] ( 1, 2) Cluster Oxides towards Methane by Varying the Composition of the Metal Centers S. Zhou, X. Sun, L. Yue, M. Schlangen, H. Schwarz Chemistry - A European Journal 2019, 25, 2967–2971, 10.1002/chem.201805908

Intermediates of N‐Heterocyclic Carbene (NHC) Dimerization Probed in the Gas Phase by Ion Mobility Mass Spectrometry: C−H⋅⋅⋅:C Hydrogen Bonding Versus Covalent Dimer Formation M. Paul, E. Detmar, M. Schlangen, M. Breugst, J. Neudörfl, H. Schwarz, A. Berkessel, M. Schäfer Chemistry – A European Journal 2019, 25, 2511–2518, 10.1002/chem.201803641

Identification of Active Sites and Structural Characterization of Reactive Ionic Intermediates by Cryogenic Ion Trap Vibrational Spectroscopy H. Schwarz, K. R. Asmis Chemistry - A European Journal 2019, 25, 2112–2126, 10.1002/chem.201805836