About: 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     Goto   Sponge   NotDistinct   Permalink

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Description
  • 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. (cs)
  • 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 (en)
Title
  • 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 (en)
  • Mereni skalarnich interakcnich konstant 1H - 19F dalekeho dosahu a jejich zavislosti na glykosidickem uhlu v 5-fluoropyrimidin substituovane RNA (cs)
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 (en)
  • Mereni skalarnich interakcnich konstant 1H - 19F dalekeho dosahu a jejich zavislosti na glykosidickem uhlu v 5-fluoropyrimidin substituovane RNA (cs)
skos:notation
  • RIV/00216224:14310/06:00016826!RIV08-MSM-14310___
http://linked.open.../vavai/riv/strany
  • 5851-5858
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(LN00A016), Z(MSM0021622413)
http://linked.open...iv/cisloPeriodika
  • 17
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 503853
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/06:00016826
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • Scalar Coupling Constants; Fluorine; 5-Fluorouridine; 5-Fluorocytidine; HIV-TAR RNA (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • CZ - Česká republika
http://linked.open...ontrolniKodProRIV
  • [170CE2DED8B6]
http://linked.open...i/riv/nazevZdroje
  • Journal of the American Chemical Society
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 128
http://linked.open...iv/tvurceVysledku
  • Sklenář, Vladimír
  • Munzarová, Markéta
  • Bermel, Wolfgang
  • Hennig, Mirko
  • Scott, Lincol G.
  • Williamson, James R.
http://linked.open...n/vavai/riv/zamer
issn
  • 0002-7863
number of pages
http://localhost/t...ganizacniJednotka
  • 14310
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