Measurement of Long Range 1H-19F Scalar Coupling Constants and their Glycosidic Torsion Dependence in 5-Fluoropyrimidine Substituted RNA.

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F06%3A00016826" target="_blank" >RIV/00216224:14310/06:00016826 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Measurement of Long Range 1H-19F Scalar Coupling Constants and their Glycosidic Torsion Dependence in 5-Fluoropyrimidine Substituted RNA.

Popis výsledku v původním jazyce

Long range scalar 5J(H1',F) couplings were observed in 5-fluoropyrimidine substituted RNA. We developed a novel S3E-19F-alfa/beta-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 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.

Název v anglickém jazyce

Measurement of Long Range 1H-19F Scalar Coupling Constants and their Glycosidic Torsion Dependence in 5-Fluoropyrimidine Substituted RNA.

Popis výsledku anglicky

Long range scalar 5J(H1',F) couplings were observed in 5-fluoropyrimidine substituted RNA. We developed a novel S3E-19F-alfa/beta-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 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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2006

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of the American Chemical Society

ISSN

0002-7863

e-ISSN

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Svazek periodika

128

Číslo periodika v rámci svazku

17

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

8

Strana od-do

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Kód UT WoS článku

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EID výsledku v databázi Scopus

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