N.D. Zelinsky Institute of Organic Chemistry,
Russian Academy of Sciences
Prof. A.S. Shashkov,
A. Grachev, A. Kondakova
Carbohydrates structural reserach. Most of objects are bacterial polysaccahrides and the structural research aims at correlation between O-antigen structure and immunological properties of bacteria. Main approach to the biopolymers structure elucidation are 1D and 2D NMR methods used in complex.
PhD Yu.A. Strelenko,
The classical structural and conformational studies of small organic molecules, mainly nitrogen-containing high-energy heterocycles, with multinuclear 1D to 3D NMR. Another stream is automatization of simple NMR experiments, data acquisition and analysis aiming at simplifying the process of routine NMR service.
PhD V.P. Ananikov
Main scientific interests revolve around the research and development of, well, everything. Recent fields involve experimental studies of organometallic reactions and homogeneous catalytic cycles, advanced NMR refinement and quantum chemistry applications. As usually, all of the above are strongly overloaded with computations, independently of their need.
Computer-assisted NMR spectra analysis in carbohydrates structural reserach. The project 'Polysaccharide Structure Determiner' is the computer instrument to predict structural properties (monomeric
composition, anomeric and absolute configurations, substitution patters, residues sequence) of polymers built of residues linked by glycosidic, amide or phosphodiester bonds.
Structural studies of organic substances, mainly carbohydrates, by NMR, inlcuding development of new NMR methods as required. Fluorine NMR, especially in its structural aspect. Another stream is molecular modeling, assuming both molecular mechanics and ab initio computations. This is strongly connected with network emphasis of computer technology including parallel and distributed computing.
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