2007
Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids
PRECECHTELOVA, Jana, Markéta MUNZAROVÁ a Vladimír SKLENÁŘZákladní údaje
Originální název
Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids
Název česky
Konformacni zavislost tenzoru 31P chemickeho posunu v nukleovych kyselinach
Autoři
PRECECHTELOVA, Jana, Markéta MUNZAROVÁ a Vladimír SKLENÁŘ
Vydání
Heidelberg, Viral RNA: Structure, Function and Targeting, od s. 8-8, 1 s. 2007
Nakladatel
EMBL Heidelberg
Další údaje
Jazyk
angličtina
Typ výsledku
Konferenční abstrakt
Obor
10403 Physical chemistry
Stát vydavatele
Česká republika
Utajení
není předmětem státního či obchodního tajemství
Organizační jednotka
Přírodovědecká fakulta
Klíčová slova anglicky
RNA; Structure; Function
Příznaky
Mezinárodní význam
Změněno: 27. 6. 2008 13:33, Mgr. Jana Pavlíková Přecechtělová, Ph.D.
V originále
NMR parameters of the phosphorus atom in nucleic acids were subject of theoretical investigations in late 70s and 80s using semi-empirical or ab-initio CHF approach. The complexity of studied systems and results were limited by the computational power and theoretical background available at the time. We will describe a detailed of the conformational dependence of 31P chemical shift tensors in RNA and DNA using up-to-date methodology. For the first time, the orientation of the phosphorus chemical shift tensors in all canonical and several non-canonical of the RNa and DNA sugar-phosphate backbone is investigated in detail as a function of torsion angles and solvent interactions. Several models are inspected with respect to their size and the patterns of the hydration shell. The results are compared to experimental data.
Česky
NMR parameters of the phosphorus atom in nucleic acids were subject of theoretical investigations in late 70s and 80s using semi-empirical or ab-initio CHF approach. The complexity of studied systems and results were limited by the computational power and theoretical background available at the time. We will describe a detailed of the conformational dependence of 31P chemical shift tensors in RNA and DNA using up-to-date methodology. For the first time, the orientation of the phosphorus chemical shift tensors in all canonical and several non-canonical of the RNa and DNA sugar-phosphate backbone is investigated in detail as a function of torsion angles and solvent interactions. Several models are inspected with respect to their size and the patterns of the hydration shell. The results are compared to experimental data.
Návaznosti
| GD204/03/H016, projekt VaV |
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| LC06030, projekt VaV |
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| MSM0021622413, záměr |
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