About: N7- and N9-substituted purine derivatives: a 15N NMR study

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors. The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors. (en) The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G** and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors. (cs)
Title	N7- and N9-substituted purine derivatives: a 15N NMR study N7- and N9-substituted purine derivatives: a 15N NMR study (en) N7- and N9-substituted purine derivatives: a 15N NMR study (cs)
skos:prefLabel	N7- and N9-substituted purine derivatives: a 15N NMR study N7- and N9-substituted purine derivatives: a 15N NMR study (en) N7- and N9-substituted purine derivatives: a 15N NMR study (cs)
skos:notation	RIV/00216224:14310/02:00005585!RIV08-MSM-14310___
http://linked.open.../vavai/riv/strany	353
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(LN00A016)
http://linked.open...iv/cisloPeriodika	5
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Toušek, Jaromír Marek, Radek
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Masarykova univerzita / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	656261
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/02:00005585
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	NMR; 1H NMR; 15N NMR; isotropic chemical shifts; shift tensor; regio-isomerism; purine; quantum-chemical calculation (en)
http://linked.open.../riv/klicoveSlovo	purine 15N NMR 1H NMR NMR isotropic chemical shifts regio-isomerism shift tensor quantum-chemical calculation
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[72E5EBEEDB29]
http://linked.open...i/riv/nazevZdroje	Magnetic Resonance in Chemistry
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	BIOMOLECULAR CENTER
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	40
http://linked.open...iv/tvurceVysledku	Hocková, Dana Marek, Radek Brus, Jiří Toušek, Jaromír Kovács, Lajos
issn	0749-1581
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	14310

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