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National Repository of Grey Literature 2 records found  Search took 0.01 seconds. 
Structural Interpretation of NMR Spectroscopic Parameters in Nucleic Acids
 Fukal, Jiří ; Sychrovský, Vladimír (advisor) ; Hrabal, Richard (referee) ; Munzarová, Markéta (referee)
Title: Structural Interpretation of NMR Spectroscopic Parameters in Nucleic Acids Author: Mgr. Jiří Fukal Supervisor: Dr. Vladimír Sychrovský Institutions: Charles University, Faculty of Mathematics and Physics, and Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry Abstract: Nuclear Magnetic Resonance (NMR) is versatile spectroscopy technique applicable to determination of both chemical and 3D structure of molecules. Elementary characterization of peptides, proteins and nucleic acids employs the 1 H and 13 C NMR measurements. Probing of 15 N and 17 O atoms usually requires advanced chemical preparation of molecules (labelling with relevant isotopes). 31 P NMR is in that regard exceptional due to 100% natural abundance of the isotope. Hence, NMR structural studies of a nucleic acid's backbone are aimed at the phosphate group. Pertinent spectral parameters include δ31P NMR shift and J-couplings involving the phosphorus atom (e.g. 3 JP,H3'). Structural interpretation of NMR spectra requires usage of adequate quantum chemistry method (QM method) and inclusion of effects due to molecular dynamic (MD). That is why plausible interpretation of the spectral parameters in nucleic acids may become computationally demanding. The benchmark of QM methodology for 31 P NMR calculation made possible...
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Novel conformationally locked nucleosides and nucleotides based on bicyclo[3.2.1]octane scaffold as a pseudosugar moiety
 Šála, Michal ; Dejmek, Milan ; Procházková, Eliška ; Hřebabecký, Hubert ; Rybáček, Jiří ; Dračínský, Martin ; Novák, Pavel ; Rosenbergová, Šárka ; Fukal, J. ; Sychrovský, Vladimír ; Rosenberg, Ivan ; Nencka, Radim
A route to a series of novel carbocyclic nucleosides locked in North conformation with bicyclo[3.2.1]octane scaffold was developed. Prepared nucleosides served as a starting material for the synthesis of modified oligomers [d(GCATATCAC), r(GCAUAUCAC), and A9]. Biological effects of the prepared nucleosides as well as the hybridization properties of the appropriate duplexes were evaluated.
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1 Fukal, Jiří
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