INSTITUTE OF CHEMISTRY

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INSTITUTE OF CHEMISTRY DEPARTMENT OF STRUCTURE AND FUNCTION OF SACCHARIDES

Staff: 9 scientists 1 technician Main instruments used in research: Linux cluster (more than 500 processors) High-resolution NMR spectrometers: 600 MHz Bruker AVANCEIII HD 400 MHz Bruker AVANCEIII HD

International collaboration: Projects International: COST (2012-2016) SASPRO (2015-2018) H2020 INSTRUCT (starting January 2017) Slovak agencies: APVV and VEGA projects International collaboration: Italy: “G.Ronzoni Institute for Chemical and Biochemical Research, Milan Politechnico di Milano, Milan France: CERMAV, CNRS, Grenoble SEESIB, University B. Pascal-CNRS, Aubiere INRA, Theix, Clermonf-Ferrand Czech Republic: Institute of Analytical Chemistry, CAS, Brno

Research areas Main focus: Relationship between structure and biological functions of saccharides Saccharides and proteins investigated: glycosaminoglycans (heparin oligosaccharides), linear and branched alkylglycosides, biologically active carbohydrate derivatives and new natural non-ionic surfactants, polysaccharides (e.g. xylans, chitosans, pectins), sugar-processing enzymes, glycosyltransferases, glycoside hydrolases) Methodology: NMR: 1D and 2D NMR methods in solution (COSY, HSQC, HMBC, NOESY,..) Theoretical calculations: DFT calculations, QSAR modelling, docking, DFT-QM/MM calculations, ab initio MD simulations, metadynamics MS: MALDI, ES, GC-MS

Determination of the structure of saccharide derivatives, including glycosaminoglycans and various types of polysaccharides by NMR. Molecular modelling of sugar-processing enzymes, mechanisms of actions of glycosyltransferases and glycoside hydrolases and characterization of the structures that are produced during the enzymatic reactions. Design of the potential glycosyltransferase inhibitors mimicking the catalytic reaction transition state structure. Preparation of polysaccharide composites having better thermal and mechanical properties. Exploitation of the microwave irradiation upon saccharide hydrolysis in combination with simultaneous MoVI-catalysed epimerization of polysaccharides (xylan, starch). Synthesis of surface active long-chain alkyl glycosides. Diagnoses of inherited metabolic errors of metabolism of human body fluids.