RESOLV 2012-2018: SCIENTISTS PRINCIPAL INVESTIGATORS AREA(S) PERSON RESEARCH FIELDS A, C Accurate electronic structure theory, coupled Prof. Dr. Christof Hättig cluster response theory, weak / van der Waals / Ruhr-Universität Bochum hydrogen-bonding interactions for large systems, Theoretical Chemistry external electromagnetic fields IR laser spectroscopy, molecular aggregates, A, B, C Prof. Dr. Martina Havenith THz absorption spectroscopy, solvation Ruhr-Universität Bochum dynamics, laser development, Scattering Physical Chemistry II Nearfield IR- and Raman- microscopy, ultracold chemistry Protein thermodynamics in aqueous co-solvents B Prof. Dr. Christian Herrmann and ionic liquids, enzymatic reactions, protein Ruhr-Universität Bochum interactions, microcalorimetry, CD spectroscopy; Physical Chemistry I kinetics, stopped flow, T-jump Development and mechanistic investigation of A Prof. Dr. Benjamin List new methods of chemical synthesis, asymmetric Max-Planck-Institut für organocatalysis and anion mediated asymmetric Kohlenforschung Mülheim an der Ruhr catalysis Paramagnetic Systems (radicals, triplet states, Prof. Dr. Dr. h.c. Wolfgang Lubitz metal complexes), metalloproteins: A, B Max-Planck-Institut für Chemische wateroxidase, hydrogenase, ribonucleotide Energiekonversion Mühlheim an der reductase; primary processes of photosynthesis; Ruhr magnetic resonance spectroscopy; quantum chemical calculations A, B, C Ab initio (Car-Parrinello) molecular dynamics, Prof. Dr. Dominik Marx theoretical spectroscopy, HPC, solvation, liquids, Ruhr-Universität Bochum water, hydrogen-bonding, interfaces, charge Theoretical Chemistry transport, proton transfer, aggregation Surface science, surface reactions, non- adiabatic reactions, hydrogen bonding, kinetics A, C Prof. Dr. Karina Morgenstern of nanostructures, water, azobenzene Ruhr-Universität Bochum derivatives, metallic surfaces, insulating layers, Physical Chemistry I real space imaging, electron transfer excitation, femtosecond excitation AREA(S) PERSON RESEARCH FIELDS C Heterogeneous catalysis, catalyst preparation, Prof. Dr. Martin Muhler elucidation of elementary steps, redox catalysts Ruhr-Universität Bochum in gas vs liquid phase, advanced spectroscopy Technical Chemistry coupled to transient kinetic methods Product design from lab to industrial scale, A, C Prof. Dr.-Ing. Marcus Petermann separation techniques using supercritical fluids. Ruhr-Universität Bochum thermo- and fluid dynamic data, Particle Technology sorption/desorption kinetics of gas mixtures at high pressure Physical organic chemistry, reactive intermediates, chemistry of open shell Prof. Dr. Wolfram Sander A, B molecules, radicals, radicals, carbenes, Ruhr-Universität Bochum synthesis and spectroscopy of peptides, matrix Organic Chemistry II isolation spectroscopy, time resolved spectroscopy Fundamental studies of crystallization processes, catalysis, synthesis of catalyst C Prof. Dr. Ferdi Schüth materials, high throughput experimentation in Max-Planck-Institut für catalysis, hydrogen storage materials, zeolites Kohlenforschung Mülheim an der Ruhr and ordered mesoporous materials, biomass transformation Analytical chemistry, (micro-) electrochemistry, Prof. Dr. Wolfgang Schuhmann A, C scanning electrochemical microscopy (SECM), Ruhr-Universität Bochum localized corrosion, fuel cell catalysts, biofuel cells, Analytical Chemistry photoelectrochemistry Classical and ab initio computer simulation of chemical reactivity and transport in electrolytes, C Prof. Dr. Eckhard Spohr near interfaces, in membranes, disordered Universität Duisburg-Essen media and in heterogeneous materials for Theoretical Chemistry energy research, development of reactive force fields for use in aqueous system simulations AREA(S) PERSON RESEARCH FIELDS C Prof. Dr. Martin Stratmann Electrochemistry, corrosion science, buried Max-Planck-Institut für Eisenforschung interfaces, spectroscopy of electrified interfaces, GmbH Düsseldorf surface science Prof. Dr. Walter Thiel Quantum chemistry and computational B Max-Planck-Institut für chemistry for large molecular systems, QM/MM Kohlenforschung Mülheim an der Ruhr techniques, spectroscopy, dynamics, reactivity, catalytic reactions and enzymatic processes Synchrotron radiation, interface scattering, Prof. Dr. Metin Tolan C small-angle X-ray scattering, X-ray Technische Universität Dortmund spectroscopy, coherent X-ray scattering, soft Experimental Physics I & DELTA condensed matter, biointerfaces, water networks Prof. Dr.-Ing. Eckhard Weidner Supercritical fluids, phase equilibria/mass and A, C Ruhr-Universität Bochum heat transfer in multiphase systems, controlled Verfahrenstechnische release systems, micro- and nanoparticles, high Transportprozesse pressure technology X-ray and neutron scattering, calorimetry, CD, FT-IR, fluorescence spectroscopy, atomic force and fluorescence microscopy; structure, B, C Prof. Dr. Roland Winter dynamics and function of model biomembranes, Technische Universität Dortmund protein-lipid interactions; protein folding, Physical Chemistry I misfolding and amyloidogenesis; co-solvent and confinement effects on protein stability and folding; high pressure effects in molecular biophysics PARTICIPATING SCIENTISTS AREA(S) PERSON RESEARCH FIELDS Dr. Ulf-Peter Apfel B Activation and formation of biologically and Ruhr-Universität Bochum industrially relevant small molecules Inorganic Chemistry Prof. Dr. Roland Boese Universität Duisburg- Synthesis, Cocrystallization Essen Inorganic Chemistry EPR spectroscopy, site-directed spin labeling, Prof. Dr. Enrica Double Electron-Electron Resonance, dynamic B Bordignon nuclear polarization, membrane protein Ruhr-Universität Bochum structure-dynamics-function relationship, water EPR Spectroscopy dynamics, Bcl-2 proteins, apoptosis, ABC transporters, molecular biology Prof. Dr. Uwe Electron and ion solvation dynamics at metal- C Bovensiepen molecule interfaces; Methods: Femtosecond Universität Essen- time- and angle-resolved non-linear Duisburg photoelectron spectroscopy Experimental Physics Supramolecular chemistry in solution, self- A Prof. Dr. Guido Clever assembled coordination cages, confined Technische Universität molecular environments, host-guest chemistry, Dortmund stimuli responsive systems, modified DNA nano Inorganic Chemistry II structures; methods: NMR, CD spectroscopy, HRMS, isothermal titration calorimetry (ITC) A Prof. Dr. Viktoria Organometallic Chemistry: Tailoring structures Däschlein-Gessner and properties of carbanionic reagents for Ruhr-Universität Bochum selective synthetic applications Inorganic Chemistry II Dr. Andreas Erbe Max-Planck Institut für Interface Spectroscopy Eisenforschung A Prof. Dr. Lukas J. Development of catalytic methods, C-C, C-H Gooßen and CO2 activation, fluoroalkylations, Ruhr-Universität Bochum separations in supercritical fluids Organic Chemistry I AREA(S) PERSON RESEARCH FIELDS Solvation effects on redox proteins; solvation shell dynamics on proton transfer within Prof. Dr. Thomas Happe B hydrogenases; Methods: Photocatalysis, Ruhr-Universität Bochum enzyme technology, overexpression, Photobiotechnology purification and protein crystallography of anaerobic sensitive proteins Dr. Matthias Heyden Influence of solvation on dynamics and stability Max-Planck-Institut für of proteins Kohlenforschung A Prof. Dr. Stefan Huber Organocatalysis and supramolecular chemistry, Ruhr-Universität Bochum multidentate halogen bonding in solution Organic Chemistry I B Jun.-Prof. Dr. Müge Electron paramagnetic resonance Kasanmascheff spectroscopy, hyperfine spectroscopy, amino Technische Universität acid radicals, metalloproteins, proton-coupled Dortmund electron transfer reactions, ribonucleotide Physical Chemistry reductases, unnatural amino acid incorporation Prof. Dr. Stefan Kast Liquid state theory in combination with A, B Technische Universität molecular dynamics and quantum chemistry; Dortmund solvation effects on structure, spectra and Theoretical Physical thermodynamics in chemical and biological Chemistry systems Development of NMR spectroscopic methods Prof. Dr. Rasmus Linser B (proton detection in solid-state NMR, fast Technische Universität Magic-Angle Spinning), protein dynamics, Dortmund protein-ligand and protein solvent interactions Physical Chemistry II using NMR spectroscopy Priv.-Doz. Dr. Frank Marlow Photonic crystalls, self-assembly and self- Max-Planck-Institut für organization, directed self-assembly Kohlenforschung A Dr. Christian Merten Intermolecular interactions and chiral induction Ruhr-Universität Bochum studied by vibrational CD Organic Chemistry II AREA(S) PERSON RESEARCH FIELDS Synthesis of bioconjugates of metal complexes Prof. Dr. Nils Metzler- with peptides and peptide nucleic acid Nolte B oligomers. Tailor-made peptides of increasing Ruhr-Universität Bochum complexity, in particular polypeptide/metal Bioinorganic Chemistry I complexes Synthesis of temperature-labile & “RNA thermometers”; and characterization of their B Prof. Dr. Franz unusual properties in terms of hydration effects; Narberhaus Methods: small to medium RNA synthesis, Ruhr-Universität Bochum rational design of point mutations, enzymatic Microbial Biology and chemical probing of RNA structures, RNA- RNA and RNA-protein interactions, bioinformatic prediction of RNA structures Theoretical Method Development, ab initio Prof. Dr. Frank Neese wavefunctions, experimental and theoretical A Max-Planck-Institut für spectroscopy (X-Ray, EPR, MCD, absorption, Chemische resonance Raman), open shell transition Energiekonversion,