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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Since 15N NMR parameters are sensitive indicators of the structural and electronic arrangements in organic compounds2 we used 15N NMR spectroscopy for investigating a set of N7- and N9-substituted purine analogues. 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. Since 15N NMR parameters are sensitive indicators of the structural and electronic arrangements in organic compounds2 we used 15N NMR spectroscopy for investigating a set of N7- and N9-substituted purine analogues. 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)
Title	15N NMR study of N7- and N9-substituted purine derivatives 15N NMR study of N7- and N9-substituted purine derivatives (en)
skos:prefLabel	15N NMR study of N7- and N9-substituted purine derivatives 15N NMR study of N7- and N9-substituted purine derivatives (en)
skos:notation	RIV/00216224:14310/02:00006185!RIV/2003/MSM/143103/N
http://linked.open.../vavai/riv/strany	PB129
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(LN00A016)
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Toušek, Jaromír Marek, Radek
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
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	671865
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/02:00006185
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	purine, regioisomer, 15N NMR, shift tensor, theoretical calculations (en)
http://linked.open.../riv/klicoveSlovo	purine theoretical calculations 15N NMR regioisomer shift tensor
http://linked.open...ontrolniKodProRIV	[E8AC2CDBD80E]
http://linked.open...v/mistoKonaniAkce	June 9-14, Prague
http://linked.open...i/riv/mistoVydani	Prague
http://linked.open...i/riv/nazevZdroje	16th European Experimental Nuclear Magnetic Resonance Conference
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...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	BIOMOLECULAR CENTER
http://linked.open...UplatneniVysledku	2002
http://linked.open...iv/tvurceVysledku	Hocková, Dana Marek, Radek Brus, Jiří Toušek, Jaromír Kovács, Lajos
http://linked.open...vavai/riv/typAkce	WRD - Světová
number of pages	1 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Ústav chemických procesů AV ČR
https://schema.org/isbn	80-86186-07-5
http://localhost/t...ganizacniJednotka	14310

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