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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F03%3A00008630%21RIV08-MSM-14310___
rdf:type
skos:Concept n11:Vysledek
dcterms:description
Abstract. The relationship between the glycosidic torsion angle c, the three-bond couplings 3JC2/4-H1' and 3JC6/8-H1', and the one-bond coupling 1JC1'-H1' in deoxyribonucleosides and a number of uracil cyclo-nucleosides has been analyzed using density functional theory. The influence of the sugar pucker and the hydroxymethyl conformation has also been considered. The parameters of the Karplus relationships between the three-bond couplings and c depend strongly on the aromatic base. 3JC2/4-H1' reveals different behavior for deoxyadenosine, deoxyguanosine, and deoxycytidine as compared to deoxythymidine and deoxyuridine. In the case of 3JC6/8-H1', an opposite trans to cis ratio of couplings is obtained for pyrimidine nucleosides in contrast to purine nucleosides. The extremes of the Karplus curves are shifted by ca. 10o with respect to syn and anti-periplanar orientations of the coupled nuclei. The change in the sugar pucker from S to N decreases 3JC2/4-H1' and 3JC6/8-H1' while increasing 1JC1'-H1' for Abstract. The relationship between the glycosidic torsion angle c, the three-bond couplings 3JC2/4-H1' and 3JC6/8-H1', and the one-bond coupling 1JC1'-H1' in deoxyribonucleosides and a number of uracil cyclo-nucleosides has been analyzed using density functional theory. The influence of the sugar pucker and the hydroxymethyl conformation has also been considered. The parameters of the Karplus relationships between the three-bond couplings and c depend strongly on the aromatic base. 3JC2/4-H1' reveals different behavior for deoxyadenosine, deoxyguanosine, and deoxycytidine as compared to deoxythymidine and deoxyuridine. In the case of 3JC6/8-H1', an opposite trans to cis ratio of couplings is obtained for pyrimidine nucleosides in contrast to purine nucleosides. The extremes of the Karplus curves are shifted by ca. 10o with respect to syn and anti-periplanar orientations of the coupled nuclei. The change in the sugar pucker from S to N decreases 3JC2/4-H1' and 3JC6/8-H1' while increasing 1JC1'-H1' for Abstract. The relationship between the glycosidic torsion angle c, the three-bond couplings 3JC2/4-H1' and 3JC6/8-H1', and the one-bond coupling 1JC1'-H1' in deoxyribonucleosides and a number of uracil cyclo-nucleosides has been analyzed using density functional theory. The influence of the sugar pucker and the hydroxymethyl conformation has also been considered. The parameters of the Karplus relationships between the three-bond couplings and c depend strongly on the aromatic base. 3JC2/4-H1' reveals different behavior for deoxyadenosine, deoxyguanosine, and deoxycytidine as compared to deoxythymidine and deoxyuridine. In the case of 3JC6/8-H1', an opposite trans to cis ratio of couplings is obtained for pyrimidine nucleosides in contrast to purine nucleosides. The extremes of the Karplus curves are shifted by ca. 10o with respect to syn and anti-periplanar orientations of the coupled nuclei. The change in the sugar pucker from S to N decreases 3JC2/4-H1' and 3JC6/8-H1' while increasing 1JC1'-H1' for
dcterms:title
A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA
skos:prefLabel
A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA A DFT Analysis of NMR Scalar Interactions Across the Glycosidic Bond in DNA
skos:notation
RIV/00216224:14310/03:00008630!RIV08-MSM-14310___
n4:strany
3649
n4:aktivita
n15:P
n4:aktivity
P(LN00A016)
n4:cisloPeriodika
12
n4:dodaniDat
n5:2008
n4:domaciTvurceVysledku
n10:1962604 n10:3906884
n4:druhVysledku
n16:J
n4:duvernostUdaju
n13:S
n4:entitaPredkladatele
n7:predkladatel
n4:idSjednocenehoVysledku
596868
n4:idVysledku
RIV/00216224:14310/03:00008630
n4:jazykVysledku
n17:eng
n4:klicovaSlova
NUCLEIC-ACIDS; CONSTANTS; OLIGONUCLEOTIDES; NMR
n4:klicoveSlovo
n6:NUCLEIC-ACIDS n6:CONSTANTS n6:OLIGONUCLEOTIDES n6:NMR
n4:kodStatuVydavatele
CZ - Česká republika
n4:kontrolniKodProRIV
[209B24148ABE]
n4:nazevZdroje
Journal of the American Chemical Society
n4:obor
n18:CF
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
2
n4:projekt
n14:LN00A016
n4:rokUplatneniVysledku
n5:2003
n4:svazekPeriodika
125
n4:tvurceVysledku
Sklenář, Vladimír Munzarová, Markéta
s:issn
0002-7863
s:numberOfPages
10
n8:organizacniJednotka
14310