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. 1.
    0359107 - UOCHB-X 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
    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