Počet záznamů: 1
Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation
- 1.0359107 - ÚOCHB 2012 RIV US eng J - Článek v odborném periodiku
Benda, Ladislav - Schneider, Bohdan - Sychrovský, Vladimír
Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation.
Journal of Physical Chemistry A. Roč. 115, č. 11 (2011), s. 2385-2395. ISSN 1089-5639. E-ISSN 1520-5215
Grant CEP: GA AV ČR IAA400550701; GA ČR GAP205/10/0228
Výzkumný záměr: CEZ:AV0Z40550506; CEZ:AV0Z50520701
Klíčová slova: nucleic acids * phosphate * NMR
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.946, rok: 2011
The theoretical study shows that direct coordination of Mg2+ metal cation to the phosphate group of nucleic acids is accompanied by the 2-9.5 ppm decrease of 31P NMR shift, 0-20 ppm increase of 31P chemical shielding anisotropy, and 0.2-1.8 Hz decrease of 2J(P,C5´) scalar coupling. The study employed significantly populated coordination patterns of the metal deterined with bioinformatic structural analysis of crystallographic data. mobility of the metal cation has dramatic impact on the NMR parameters.
Trvalý link: http://hdl.handle.net/11104/0006424
Počet záznamů: 1