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Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F06%3A00016826%21RIV08-MSM-14310___
rdf:type
n4:Vysledek skos:Concept
dcterms:description
Long range scalar 5J(H1',F) couplings were observed in 5-fluoropyrimidine substituted RNA. We developed a novel S3E-19F-Ń,Ň-edited NOESY experiment for quantitation of these long range scalar 5J(H1',F), where the J-couplings can be extracted from inspection of intraresidual (H1',H6) NOE crosspeaks. The 5J(H1',F) couplings can be used to restrict the glycosidic torsion angle Ó which defines the orientation of the base with respect to the ribose sugar moiety. Quantum chemical calculations were exploited to investigate the relation between scalar couplings and conformations around the glycosidic bond in oligonucleotides. The theoretical dependence of the observed 5J(H1',F) couplings on the torsion angle Ó can be described by a generalized Karplus relationship. The corresponding density functional theory (DFT) analysis is outlined. Additional NMR experiments facilitating the resonance assignments of 5-fluoropyrimidine substituted RNAs are described and chemical shift changes due to altered shielding in th Long range scalar 5J(H1',F) couplings were observed in 5-fluoropyrimidine substituted RNA. We developed a novel S3E-19F-Ń,Ň-edited NOESY experiment for quantitation of these long range scalar 5J(H1',F), where the J-couplings can be extracted from inspection of intraresidual (H1',H6) NOE crosspeaks. The 5J(H1',F) couplings can be used to restrict the glycosidic torsion angle Ó which defines the orientation of the base with respect to the ribose sugar moiety. Quantum chemical calculations were exploited to investigate the relation between scalar couplings and conformations around the glycosidic bond in oligonucleotides. The theoretical dependence of the observed 5J(H1',F) couplings on the torsion angle Ó can be described by a generalized Karplus relationship. The corresponding density functional theory (DFT) analysis is outlined. Additional NMR experiments facilitating the resonance assignments of 5-fluoropyrimidine substituted RNAs are described and chemical shift changes due to altered shielding in th Interakcni skalarni interakce dalekeho dosahu byly pozorovany v 5-fluor substituovane RNA.Vyvinuly jsme novy NMR experiment pro kvantifikaci techto konstant. DFT vypocty byly pouzity pro studium zavislosti interakci pres 5 vazeb na glykosidickem uhlu.
dcterms:title
Mereni skalarnich interakcnich konstant 1H - 19F dalekeho dosahu a jejich zavislosti na glykosidickem uhlu v 5-fluoropyrimidin substituovane RNA Three-Bond Sugar-Base Couplings in Purine versus Pyrimidine Nucleosides: A DFT Study of Karplus Relationships for 3JC2/4-H1' and 3JC6/8-H1' in DNA Three-Bond Sugar-Base Couplings in Purine versus Pyrimidine Nucleosides: A DFT Study of Karplus Relationships for 3JC2/4-H1' and 3JC6/8-H1' in DNA
skos:prefLabel
Three-Bond Sugar-Base Couplings in Purine versus Pyrimidine Nucleosides: A DFT Study of Karplus Relationships for 3JC2/4-H1' and 3JC6/8-H1' in DNA Three-Bond Sugar-Base Couplings in Purine versus Pyrimidine Nucleosides: A DFT Study of Karplus Relationships for 3JC2/4-H1' and 3JC6/8-H1' in DNA Mereni skalarnich interakcnich konstant 1H - 19F dalekeho dosahu a jejich zavislosti na glykosidickem uhlu v 5-fluoropyrimidin substituovane RNA
skos:notation
RIV/00216224:14310/06:00016826!RIV08-MSM-14310___
n3:strany
5851-5858
n3:aktivita
n7:P n7:Z
n3:aktivity
P(LN00A016), Z(MSM0021622413)
n3:cisloPeriodika
17
n3:dodaniDat
n5:2008
n3:domaciTvurceVysledku
n16:1962604 n16:3906884
n3:druhVysledku
n13:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n11:predkladatel
n3:idSjednocenehoVysledku
503853
n3:idVysledku
RIV/00216224:14310/06:00016826
n3:jazykVysledku
n12:eng
n3:klicovaSlova
Scalar Coupling Constants; Fluorine; 5-Fluorouridine; 5-Fluorocytidine; HIV-TAR RNA
n3:klicoveSlovo
n9:HIV-TAR%20RNA n9:Fluorine n9:Scalar%20Coupling%20Constants n9:5-Fluorocytidine n9:5-Fluorouridine
n3:kodStatuVydavatele
CZ - Česká republika
n3:kontrolniKodProRIV
[170CE2DED8B6]
n3:nazevZdroje
Journal of the American Chemical Society
n3:obor
n15:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
6
n3:projekt
n19:LN00A016
n3:rokUplatneniVysledku
n5:2006
n3:svazekPeriodika
128
n3:tvurceVysledku
Williamson, James R. Munzarová, Markéta Hennig, Mirko Bermel, Wolfgang Scott, Lincol G. Sklenář, Vladimír
n3:zamer
n17:MSM0021622413
s:issn
0002-7863
s:numberOfPages
8
n10:organizacniJednotka
14310