Dittrich, Birger - Georg-August-Universitäten Göttingen

研究领域

Our research group is interested in methodological improvements and practical aspects of X-ray structure determination and analysis, and in particular in the electron density distribution of solids. Our focus and area of expertise is the inclusion of the non-spherical electron density in structural models of "small-molecule" (up to 1000 atoms) crystal structures. However, it is the discipline of chemistry that provides us with a broader framework of phenomena and questions. One theme uniting the different branches of chemistry - organic, biological, medicinal and inorganic - is structure. X-ray structure analysis is also a playground for the application of computational chemistry, in that it provides real-life examples for study, comparison and verification. Only the mutual exchange of information between experiment and theory enables to distinguish between manifestations of thermal motion and electron density in the solid state. Therefore our studies require the application of advanced computational methodology. Modern computer programs based on quantum mechanics and molecular mechanics are central tools that we use, methods that are complemented by preparational chemistry and crystallisation in the laboratory. Last but not least it is the diffraction experiment itself that X-ray structure analysis is based upon. In order to "measure" the electron density and to derive molecular structure of a compound of interest each time such an experiment needs to be carried out. Obtaining chemical insight and attempting to arrive at a deeper understanding of the phenomena observed in such experiments is the ultimate motivation for our studies. For more detailed information the reader is referred to our publication list. The work listed there has often involved collaboration partners, and some them are referred to here.

近期论文

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Hernandez K1, Zelen I, Petrillo G, Usón I, Wandtke CM, Bujons J, Joglar J, Parella T, Clapés P.: Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of α,α-Dialkyl-α-Amino Acids Angew. Chem. Int. Ed. asap (2015), in press. DOI: 10.1002/anie.201411484 Susanne Löffler, Jens Lübben, Lennard Krause, Dietmar Stalke, Birger Dittrich, Guido H Clever: Triggered Exchange of Anionic for Neutral Guests inside a Cationic Coordination Cage JACS 137 (2015),1060–1063. DOI: 10.1021/ja5130379 Birger Dittrich, Claudia M Wandtke, Alke Meents, Kevin Pröpper, Kartik Chandra Mondal, Prinson P Samuel, Nurul Amin Sk, Amit Pratap Singh, Herbert W Roesky, Navdeep Sidhu: Aspherical-Atom Modeling of Coordination Compounds by Single-Crystal X-ray Diffraction Allows the Correct Metal Atom To Be Identified ChemPhysChem 16 (2015),412-419. DOI: 10.1021/ja5130379 Ming W. Shi, Alexandre N. Sobolev, Tanja Schirmeister, Bernd Engels, Thomas C. Schmidt, Peter Luger, Stefan Mebs, Birger Dittrich, Yu-Sheng Chen, Joanna M. Bąk, Dylan Jayatilaka, Charles S. Bond, Michael J. Turner, Scott G. Stewart, Mark A. Spackman, Simon Grabowsky: Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c) New J. Chem. asap (2015), in press. DOI: 10.1039/C4NJ01503G Rongmei Zhu, Jens Lübben, Birger Dittrich, Guido H. Clever: Stepwise Halide-Triggered Double and Triple Catenation of Self-Assembled Coordination Cages Angew. Chem. Int. Ed. asap (2014), in press. DOI: 10.1002/anie.201408068 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 2002 2000 1997 Promotion Books Silvia C Capelli, Hans-Beat Bürgi, Birger Dittrich, Simon Grabowsky, Dylan Jayatilaka: Hirshfeld atom refinement IUCrJ 1 (2014), 361-379. DOI: 10.1107/S2052252514014845 Kevin Pröpper, Birger Dittrich, Daniel J Smaltz, Thomas Magauer, Andrew G Myers: Crystalline guanine adducts of natural and synthetic trioxacarcins suggest a common biological mechanism and reveal a basis for the instability of trioxacarcin A Bioorg. Med. Chem. Lett. 24 (2014), 4410-4413. DOI: 10.1016/j.bmcl.2014.08.016 Kartik Chandra Mondal, Birger Dittrich, Bholanath Maity, Debasis Koley, Herbert W Roesky: Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride JACS 136 (2014), 9568-9571. DOI: 10.1021/ja505817u Kartik Chandra Mondal, Prinson P Samuel, Herbert W Roesky, Rinat R Aysin, Larissa A Leites, Sven Neudeck, Jens Lübben, Birger Dittrich, Nicole Holzmann, Markus Hermann, Gernot Frenking: One Electron Mediated Rearrangements of 2,3-Disiladicarbene JACS 136 (2014), 8919-8922. DOI: 10.1021/ja504821u K. C. Mondal, S. Roy, S. De, P. Parameswaran, B. Dittrich, F. Ehret, W. Kaim, H. Roesky: Stabilization of a Two-Coordinate Mononuclear Cobalt(0) Chem. Eur. J. 20 (2014) in press. DOI: 10.1002/chem.201403525 S. Ganapaty, V. Nair, D. R. Devi, S. T. Pannakal, H. Laatsch, B. Dittrich: Rare Prenylated Isoflavones from Tephrosia calophylla Nat. Prod. Com. 9 (2014) 937-940. J. Lübben, C. Volkmann, S. Grabowsky, A. Edwards, W. Morgenroth, F. P.-A. Fabbiani, G. M. Sheldrick, B. Dittrich: On temperature dependence of H-Uiso in the riding hydrogen model ACTA A 70 (2014), 309-316. DOI: 10.1107/S2053273314010626 C. M. Orben, B. Dittrich: Hydrogen ADPs with CuKa data? Invariom and Hirshfeld modelling of fluconazol ACTA C 70 (2014),580-583. DOI: 10.1107/S2053229614010195 K. Pröpper, K. Meindl, M. Sammito, B. Dittrich, G. M. Sheldrick, E. Pohl, I. Usón: Structure solution of DNA binding proteins and complexes with ARCIMBOLDO libraries ACTA D in press (2014). A. M. T. Tchuenmogne, E. V. Donfack, M. D. T. Kongue, B. N. Lenta, S. Ngouela, E. Tsamo, N. Sidhu, B. Dittrich and H. Laatsch: Ingacamerounol (I), a New Flavonol and Other Chemical Constituents from Leaves and Stem Bark of Inga edulis Mart ChemInform 18 (2014). DOI: 10.1002/chin.201418224 D. S. Weinberger, N. Amin SK, K. C. Mondal, M. Melaimi, G. Bertrand, A. C. Stückl, H. W. Roesky, B. Dittrich, S. Demeshko, B. Schwederski, W. Kaim, P. Jerabek, G. Frenking: Isolation of Neutral Mononuclear Copper Complexes Stabilized by Two Cyclic (Alkyl)(amino)carbenes J.Am.Chem.Soc. ASAP (2014). DOI: 10.1021/ja502521b Y. Li, K. C. Mondal, P. P. Samuel, H. Zhu, C. M. Orben, S. Panneerselvam, B. Dittrich, B. Schwederski, W. Kaim, T. Mondal, D. Koley, H. W. Roesky: C4 Cumulene and the Corresponding Air-Stable Radical Cation and Dication Angew.Chem.Int.Ed. 53 (2014), 4168-4172. DOI: 10.1002/anie.201310975 Y. Li, K. C. Mondal, J. Luebben, H. Zhu, B. Dittrich I. Purushothaman, P. Parameswaran, H. W. Roesky: A Functionalized Ge3-compound with a Dual Character of the Central Germanium Atom Chem.Commun. 50 (2014), 2986-2989. DOI: 10.1039/c3cc49635j P. P. Samuel, Y. Li, H. W. Roesky, V. Chevelkov, A. Lange, A. Burkhardt, B. Dittrich: Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener J.Am.Chem.Soc. 136 (2014), 1292-1295.