SFB 749:  Dynamics and Intermediates of Molecular Transformations

• Subject Area: Chemistry ; Biology ; Physics
• Term: from 2007 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 27112786

The research theme of Collaborative Research Centre is located right at the border between contemporary organic chemistry and physics. Research within the Collaborative Research Centreinvolves the synthesis of molecules which act as probes, as experiments, for the analysis of mechanistic questions. The aim of the research is neither the synthetic route nor the optimization of special properties of the prepared molecules. Instead, the molecules that are prepared are molecular probes that enable to gain deeper insight into the chemical reactivity. The molecules are for example fragments of natural products or model substances with which the Collaborative Research Centre studies problems associated with enzyme chemistry, metal organic chemistry or ionic and radical reactions in solution. Isotopically labelled compounds are for example used to study unknown reaction cascades partially directly in life cells. In certain cases time resolved methods are employed to gain insight into the dynamics of special reactions. Time resolved UV-Vis and CD-spectroscopy are used to investigate fast photo-induced switching reactions or to learn about the involvement of solvent molecules in reactions and electron transfer processes. These spectroscopic methods allow the Collaborative Research Centre to study short lived reaction intermediates and the dynamics of organic reactions. In order to interpret and rationalize the spectroscopic data, Collaborative Research Centre uses theoretical chemistry at all levels. Collaborative Research Centre studies reactions which are currently of particular interest such as i) questions that are associated with the mechanisms and selectivity of suicide inhibitors in enzyme active sites, ii) mechanistic questions associated with enzymatic radical reactions, iii) mechanistic investigations of modern and novel metal organic reactions and iv) the development of new photo switches in connection with questions associated with the reactivity of organic molecules in excited states.

• DFG Programme: Collaborative Research Centres

Completed projects

• A01 - The dynamics of antibody folding and association (Project Head Buchner, Johannes )
• A02 - Development and Application of Novel Fluorescent Methods for Investigating the Dynamics of Conformational Fluctuations, Protein Folding, and Dynamics of Living Systems (Project Heads Bräuchle, Christoph ;  Lamb, Don C. )
• A03 - Reactivity and binding dynamic of small molecules in active centers (Project Head Sieber, Stephan A. )
• A04 - Dynamics and Intermediates of DNA Base Modification Processes (Project Head Carell, Thomas )
• A05 - Vibrational spectroscopy with highest temporal resolution for the investigation of molecular transformations (Project Head Zinth, Wolfgang )
• A06 - Structural characterization of radical based DNA repair processes (Project Head Schlichting, Ilme )
• A08 - Konformationelle Dynamik in Peptiden und kleinen Proteinen (Project Head Kiefhaber, Thomas )
• A10 - Methyl group transfer in biological pathways via the 22nd proteinogenic amino acid pyrrolysine (Project Head Groll, Michael )
• A11 - Mechanistic studies of oxidative DNA demethylation and novel photoswitchable peptides for biological applications (Project Head Hoffmann-Röder, Anja )
• A12 - Dynamics of the Photoswitch-Process of Hemithioindigo and Hemiindigo (Project Head Dube, Henry )
• A13 - Characterization of conformational dynamics in proteins and their interaction partners by solid-state NMR spectroscopy (Project Head Linser, Ph.D., Rasmus )
• B01 - Concertedness in organic reactions (Project Heads Mayr, Herbert ;  Ofial, Armin )
• B02 - Kinetic investigations on regioselective and stereoselective metalations of functionalized organic compounds in vitro and by using flow-chemistry (Project Head Knochel, Paul )
• B05 - Photoinduced bond cleavage and reaction of complex molecules in solution and confined environment (Project Head Riedle, Eberhard )
• B06 - Dynamik in und mit mesoporösen Nanostrukturen (Project Heads Bein, Thomas ;  Michaelis, Jens )
• B07 - Identifizierung und Charakterisierung anionischer metallorganischer Intermediate (Project Head Koszinowski, Konrad )
• B08 - Cascade Reactions in Natural Products Synthesis and New Photoswitches to Dynamically Control Biological Pathways (Project Head Trauner, Dirk )
• B10 - Reaktive Kupfer- Bis(pyrazolyl)methan-Spezies für die Katalyse (Project Head Herres-Pawlis, Sonja )
• B11 - A Ring-Expansion-Aromatization Strategy for the Synthesis of Functionalized Arenes and Heteroarenes (Project Head Magauer, Thomas )
• C01 - Ab initio description of photophysical elementary processes in DNA: mechanisms of creation and repair of radiative damage. (Project Head Domcke, Wolfgang )
• C02 - Dynamics and control of photochemical processes: linking ultrafast dynamics and experimental observables (Project Head de Vivie-Riedle, Regina )
• C03 - Simulation of chemical reactivity with first principle molecular dynamics (Project Head Frank, Irmgard )
• C04 - Dynamics of (bio)chemical ground state processes in condensed phase: Development and prototypical applications of simulation methods (Project Heads Mathias, Gerald ;  Tavan, Paul )
• C05 - Simulation of nucleic acid dynamics and deformability during protein binding and damage recognition (Project Head Zacharias, Martin )
• C06 - Radical Stability in Neutral and Anionic Systems (Project Head Zipse, Hendrik )
• C07 - Analysis of enzymatic processes using linear-scaling quantum-chemical methods (Project Head Ochsenfeld, Christian )
• C08 - Theoretical Investigations of Binding and Reaction Processes in Enzyme Cavities (Project Head Antes, Iris )
• Z01 - Central Admininistration (Project Head Carell, Thomas )

• Applicant Institution: Ludwig-Maximilians-Universität München
• Participating University: Technische Universität München (TUM)
• Spokesperson: Professor Dr. Thomas Carell