<I>N</I>-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F06%3A00016818" target="_blank" >RIV/00216224:14310/06:00016818 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

<I>N</I>-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters

Popis výsledku v původním jazyce

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 natureand 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.

Název v anglickém jazyce

<I>N</I>-Alkylpurine derivatives as model systems of purine tautomers: Study of substitution effects on solution-state NMR parameters

Popis výsledku anglicky

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 natureand 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.

Druh

O - Ostatní výsledky

CEP obor

CC - Organická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/LC06030" target="_blank" >LC06030: Biomolekulární centrum</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2006

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů