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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F08%3A00026071%21RIV10-MSM-14310___
rdf:type
skos:Concept n18:Vysledek
dcterms:description
31P chemical shift anisotropy (CSA) tensors have been calculated for a set of selected DNA and RNA backbone conformations using density functional theory. The set includes canonical A-RNA, A-DNA, BI-DNA, BII-DNA, ZI-DNA, ZII-DNA as well as four A-RNA-type, seven non-A-RNA-type, and three non-canonical DNA conformations. Hexahydrated dimethyl phosphate has been employed as a model. The 31P chemical shift tensors obtained are discussed in terms of similarities in the behavior observed for gauche-gauche (gg) and gauche-trans (gt) conformations around the PO bonds. We show that torsion angles are major determinants of the isotropic chemical shift. The 31P CSA tensors exhibit considerable variations resulting in large spans of its components. We examine the consequences of the CSA variations for predicting the chemical shift changes upon partial alignment and on the values of CSA order parameters extracted from the analysis of 31P NMR relaxation data. 31P chemical shift anisotropy (CSA) tensors have been calculated for a set of selected DNA and RNA backbone conformations using density functional theory. The set includes canonical A-RNA, A-DNA, BI-DNA, BII-DNA, ZI-DNA, ZII-DNA as well as four A-RNA-type, seven non-A-RNA-type, and three non-canonical DNA conformations. Hexahydrated dimethyl phosphate has been employed as a model. The 31P chemical shift tensors obtained are discussed in terms of similarities in the behavior observed for gauche-gauche (gg) and gauche-trans (gt) conformations around the PO bonds. We show that torsion angles are major determinants of the isotropic chemical shift. The 31P CSA tensors exhibit considerable variations resulting in large spans of its components. We examine the consequences of the CSA variations for predicting the chemical shift changes upon partial alignment and on the values of CSA order parameters extracted from the analysis of 31P NMR relaxation data.
dcterms:title
31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications. 31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications.
skos:prefLabel
31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications. 31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications.
skos:notation
RIV/00216224:14310/08:00026071!RIV10-MSM-14310___
n4:aktivita
n12:Z n12:P
n4:aktivity
P(LC06030), Z(MSM0021622413)
n4:cisloPeriodika
11
n4:dodaniDat
n19:2010
n4:domaciTvurceVysledku
n9:7873999 n9:3906884 n9:1962604 n9:2066475
n4:druhVysledku
n17:J
n4:duvernostUdaju
n15:S
n4:entitaPredkladatele
n5:predkladatel
n4:idSjednocenehoVysledku
407673
n4:idVysledku
RIV/00216224:14310/08:00026071
n4:jazykVysledku
n6:eng
n4:klicovaSlova
NMR chemical shift tensor 31P nucleic acids RDC
n4:klicoveSlovo
n16:NMR%20chemical%20shift%20tensor%2031P%20nucleic%20acids%20RDC
n4:kodStatuVydavatele
CZ - Česká republika
n4:kontrolniKodProRIV
[F0CEF94498D9]
n4:nazevZdroje
Journal of Physical Chemistry B
n4:obor
n13:CF
n4:pocetDomacichTvurcuVysledku
4
n4:pocetTvurcuVysledku
4
n4:projekt
n10:LC06030
n4:rokUplatneniVysledku
n19:2008
n4:svazekPeriodika
112
n4:tvurceVysledku
Munzarová, Markéta Padrta, Petr Přecechtělová, Jana Sklenář, Vladimír
n4:wos
000253945900027
n4:zamer
n14:MSM0021622413
s:issn
1520-6106
s:numberOfPages
9
n7:organizacniJednotka
14310