MALIŇÁKOVÁ, Kateřina, Radek MAREK, Jaromír TOUŠEK and Michal HOCEK. Studium struktury a NMR parametrů N-substituovaných derivátů purinu (Study of structure and NMR parametres of N-substituted purine derivatives). In Chemické listy. Praha: Česká společnost chemická, 2003, p. 1117-1117. ISSN 0009-2770.
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Basic information
Original name Studium struktury a NMR parametrů N-substituovaných derivátů purinu
Name (in English) Study of structure and NMR parametres of N-substituted purine derivatives
Authors MALIŇÁKOVÁ, Kateřina (203 Czech Republic), Radek MAREK (203 Czech Republic, guarantor), Jaromír TOUŠEK (203 Czech Republic) and Michal HOCEK (203 Czech Republic).
Edition Praha, Chemické listy, p. 1117-1117, 1 pp. 2003.
Publisher Česká společnost chemická
Other information
Original language Czech
Type of outcome Proceedings paper
Field of Study 10401 Organic chemistry
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 0.345
RIV identification code RIV/00216224:14310/03:00031270
Organization unit Faculty of Science
ISSN 0009-2770
Keywords in English N-substituted purine derivatives; NMR spectroscopy; quantum mechanical calculations
Tags N-substituted purine derivatives, NMR Spectroscopy, quantum mechanical calculations
Changed by Changed by: Mgr. Kateřina Bouzková, Ph.D., učo 41974. Changed: 28/2/2010 14:41.
Abstract
Deriváty purinu jsou studovány díky svým biologickým účinkům. Na jejich chemickou reaktivitu má vliv rozložení elektronové hustoty ve struktuře molekuly, které určuje prototropní tautomerie, event. protonační rovnováhy. Změny v distribuci elektronů jsou studovány na N3-, N7- a N9-benzylovaných derivátech purinu pomocí NMR spektroskopie v roztoku. Experimentálně zjištěná data jsou korelována s hodnotami získanými kvantově chemickými výpočty. Výsledky jsou využívány ke studiu tautomerních rovnováh purinových bazí.
Abstract (in English)
Purine derivatives are extensively studied due to their significant biological activities. Interactions of such compounds with other molecules are determined by electronic distribution, which affects tautomeric equilibria, hydrogen bonding pattern, complexations, and in acidic solutions also the site of protonation. Our study is focused on the differences in electron distribution for various purine derivatives benzylated either in position N3-, N7- or N9- and aims to describe changes in reactivity of the purine system with the place of substitution. Similar changes are expected also in the case of unsubstituted bases. N-substituted purine derivatives are studied by NMR spectroscopy in solution. Experimental results are correlated with data obtained by using quantum mechanical calculations.
Links
LN00A016, research and development projectName: BIOMOLEKULÁRNÍ CENTRUM
Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center
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