About: N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Purine derivatives as biologically relevant compounds are extensively studied for structure - activity relationships. Specific intermolecular interactions are influenced by electron distribution throughout the purine ring, which is governed by the nature and position of substituents on the purine ring. NMR chemical shifts and indirect spin-spin coupling constants, which represent sensitive probes for detecting the electron density distribution, were compared for a series of purine derivatives. Simultaneously with experimental study, DFT calculations of NMR parameters were carried out. Results of both approaches were examined with an attempt to clarify obtained data on the basis of NBO analysis. Purine derivatives as biologically relevant compounds are extensively studied for structure - activity relationships. Specific intermolecular interactions are influenced by electron distribution throughout the purine ring, which is governed by the nature and position of substituents on the purine ring. NMR chemical shifts and indirect spin-spin coupling constants, which represent sensitive probes for detecting the electron density distribution, were compared for a series of purine derivatives. Simultaneously with experimental study, DFT calculations of NMR parameters were carried out. Results of both approaches were examined with an attempt to clarify obtained data on the basis of NBO analysis. (en) Deriváty purinu jsou studovány pro svou biologickou aktivitu. Specifické interakce těchto látek jsou řízeny rozložením elektronů v molekule, což souvisí s polohou a typem přítomného substituentu. Pro řadu purinových derivátů byly porovnávány NMR parametry v roztoku, které distribuci elektronů popisují. Zároveň s experimentální studií byl proveden výpočet NMR parametrů DFT metodou s cílem objasnit pozorované trendy na základě NBO analýzy. (cs)
Title	N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters N-Alkylderiváty purinu jako modelové systémy pro studium tautomerie: Vliv substituce na NMR parametry v roztoku (cs) N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters (en)
skos:prefLabel	N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters N-Alkylderiváty purinu jako modelové systémy pro studium tautomerie: Vliv substituce na NMR parametry v roztoku (cs) N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters (en)
skos:notation	RIV/00216224:14310/06:00016818!RIV07-MSM-14310___
http://linked.open.../vavai/riv/strany	14-14
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(LC06030), Z(MSM0021622413)
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Toušek, Jaromír Bouzková, Kateřina Sklenář, Vladimír Marek, Radek Standara, Stanislav Zacharová, Zuzana
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	487607
http://linked.open...ai/riv/idVysledku	RIV/00216224:14310/06:00016818
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	NMR; purine; NBO analysis (en)
http://linked.open.../riv/klicoveSlovo	purine NBO analysis NMR
http://linked.open...ontrolniKodProRIV	[E0E1828D805B]
http://linked.open...v/mistoKonaniAkce	Valtice
http://linked.open...i/riv/mistoVydani	Brno
http://linked.open...i/riv/nazevZdroje	21st NMR Valtice
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	6 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Biomolecular centre
http://linked.open...UplatneniVysledku	2006
http://linked.open...iv/tvurceVysledku	Hocek, Michal Marek, Radek Sklenář, Vladimír Standara, Stanislav Toušek, Jaromír Maliňáková, Kateřina Zacharová, Zuzana
http://linked.open...vavai/riv/typAkce	WRD - Světová
http://linked.open.../riv/zahajeniAkce	2006-01-01 (xsd:date)
http://linked.open...n/vavai/riv/zamer	Proteiny v metabolismu a při interakci organismů s prostředím
number of pages	1 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Stuare, s.r.o.
https://schema.org/isbn	80-86441-37-7
http://localhost/t...ganizacniJednotka	14310
is http://linked.open...avai/riv/vysledek of	N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters N-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters

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