This HTML5 document contains 50 embedded RDF statements represented using HTML+Microdata notation.

The embedded RDF content will be recognized by any processor of HTML5 Microdata.

Namespace Prefixes

PrefixIRI
n15http://linked.opendata.cz/ontology/domain/vavai/riv/typAkce/
dctermshttp://purl.org/dc/terms/
n16http://localhost/temp/predkladatel/
n13http://purl.org/net/nknouf/ns/bibtex#
n14http://linked.opendata.cz/resource/domain/vavai/projekt/
n10http://linked.opendata.cz/resource/domain/vavai/riv/tvurce/
n17http://linked.opendata.cz/ontology/domain/vavai/
shttp://schema.org/
skoshttp://www.w3.org/2004/02/skos/core#
n3http://linked.opendata.cz/ontology/domain/vavai/riv/
n2http://linked.opendata.cz/resource/domain/vavai/vysledek/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
n18http://linked.opendata.cz/resource/domain/vavai/vysledek/RIV%2F00216224%3A14310%2F03%3A00009361%21RIV08-MSM-14310___/
n6http://linked.opendata.cz/ontology/domain/vavai/riv/klicoveSlovo/
n12http://linked.opendata.cz/ontology/domain/vavai/riv/duvernostUdaju/
xsdhhttp://www.w3.org/2001/XMLSchema#
n20http://linked.opendata.cz/ontology/domain/vavai/riv/jazykVysledku/
n8http://linked.opendata.cz/ontology/domain/vavai/riv/aktivita/
n5http://linked.opendata.cz/ontology/domain/vavai/riv/druhVysledku/
n4http://linked.opendata.cz/ontology/domain/vavai/riv/obor/
n11http://reference.data.gov.uk/id/gregorian-year/

Statements

Subject Item
n2:RIV%2F00216224%3A14310%2F03%3A00009361%21RIV08-MSM-14310___
rdf:type
skos:Concept n17:Vysledek
dcterms:description
A DFT INVESTIGATION OF STRUCTURE-CHEMICAL SHIFT RELATIONSHIPS FOR 13C AND 15N IN DNA Jana Precechtelova, Marketa L. Munzarova and Vladimir Sklenar National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotl??sk? 2, CZ-611 37 Brno, Czech Republic Density functional theory has been applied to explore the dependence of 13C and 15N chemical shifts in deoxyribonucleosides on various structural features such as the orientation about the glycosidic bond, the CH2OH group conformation, the sugar pucker, and the hydrogen bonding. Geometry optimizations have been performed with sugar-phosphate backbone dihedral angles frozen to their average experimental values in BI-DNA. Results obtained in NMR parameter calculations have been compared to available experimental data for C1`, C2` and N9. The effect of the glycosidic torsion angle ? has already been studied [1] but we wished to involve the relaxation of the geometry after changing ?, which has not been considered in the previous work [ A DFT INVESTIGATION OF STRUCTURE-CHEMICAL SHIFT RELATIONSHIPS FOR 13C AND 15N IN DNA Jana Precechtelova, Marketa L. Munzarova and Vladimir Sklenar National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotl??sk? 2, CZ-611 37 Brno, Czech Republic Density functional theory has been applied to explore the dependence of 13C and 15N chemical shifts in deoxyribonucleosides on various structural features such as the orientation about the glycosidic bond, the CH2OH group conformation, the sugar pucker, and the hydrogen bonding. Geometry optimizations have been performed with sugar-phosphate backbone dihedral angles frozen to their average experimental values in BI-DNA. Results obtained in NMR parameter calculations have been compared to available experimental data for C1`, C2` and N9. The effect of the glycosidic torsion angle ? has already been studied [1] but we wished to involve the relaxation of the geometry after changing ?, which has not been considered in the previous work [ A DFT INVESTIGATION OF STRUCTURE-CHEMICAL SHIFT RELATIONSHIPS FOR 13C AND 15N IN DNA Jana Precechtelova, Marketa L. Munzarova and Vladimir Sklenar National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Kotl??sk? 2, CZ-611 37 Brno, Czech Republic Density functional theory has been applied to explore the dependence of 13C and 15N chemical shifts in deoxyribonucleosides on various structural features such as the orientation about the glycosidic bond, the CH2OH group conformation, the sugar pucker, and the hydrogen bonding. Geometry optimizations have been performed with sugar-phosphate backbone dihedral angles frozen to their average experimental values in BI-DNA. Results obtained in NMR parameter calculations have been compared to available experimental data for C1`, C2` and N9. The effect of the glycosidic torsion angle ? has already been studied [1] but we wished to involve the relaxation of the geometry after changing ?, which has not been considered in the previous work [
dcterms:title
DFT Investigation of Structure-Chemical Shift Relationships for 13C and 15N in DNA DFT Investigation of Structure-Chemical Shift Relationships for 13C and 15N in DNA DFT Investigation of Structure-Chemical Shift Relationships for 13C and 15N in DNA
skos:prefLabel
DFT Investigation of Structure-Chemical Shift Relationships for 13C and 15N in DNA DFT Investigation of Structure-Chemical Shift Relationships for 13C and 15N in DNA DFT Investigation of Structure-Chemical Shift Relationships for 13C and 15N in DNA
skos:notation
RIV/00216224:14310/03:00009361!RIV08-MSM-14310___
n3:strany
58-58
n3:aktivita
n8:P
n3:aktivity
P(LN00A016)
n3:dodaniDat
n11:2008
n3:domaciTvurceVysledku
n10:3906884 n10:1962604 n10:2066475
n3:druhVysledku
n5:D
n3:duvernostUdaju
n12:S
n3:entitaPredkladatele
n18:predkladatel
n3:idSjednocenehoVysledku
603545
n3:idVysledku
RIV/00216224:14310/03:00009361
n3:jazykVysledku
n20:eng
n3:klicovaSlova
DFT; NMR chemical shift; deoxyribonucleosides; DNA; sugar pucker; glycosidic torsion; hydrogen bonding
n3:klicoveSlovo
n6:DNA n6:DFT n6:glycosidic%20torsion n6:deoxyribonucleosides n6:NMR%20chemical%20shift n6:hydrogen%20bonding n6:sugar%20pucker
n3:kontrolniKodProRIV
[128FC0E824D8]
n3:mistoKonaniAkce
Praha
n3:mistoVydani
Praha
n3:nazevZdroje
Materials Structure in Chemistry, Biology, Physics and Technology
n3:obor
n4:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
3
n3:projekt
n14:LN00A016
n3:rokUplatneniVysledku
n11:2003
n3:tvurceVysledku
Přecechtělová, Jana Sklenář, Vladimír Munzarová, Markéta
n3:typAkce
n15:CST
n3:zahajeniAkce
2003-01-01+01:00
s:numberOfPages
1
n13:hasPublisher
R. Kuzel
n16:organizacniJednotka
14310