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| Description
| - Purine derivatives are of great importance because of their biological activity. Their interactions with other molecules are determined by electronic charge distribution in the ring system, which affects tautomeric equilibria, hydrogen bonding pattern, complexations, and in acidic solutions also the site of protonation. Our study concerns with the differences in electron density distribution among purine derivatives substituted either in position N-3, N-7 or N-9. Chemical shift tensors of the 13C atoms and the 15N atoms are studied in the connection with the position of substitution. Simultaneously, coupling constants for these structures are investigated. Experimental results are correlated with data obtained by quantum chemical calculations. This work also aims to help with solving the problem of tautomerism in some purine derivatives.
- Purine derivatives are of great importance because of their biological activity. Their interactions with other molecules are determined by electronic charge distribution in the ring system, which affects tautomeric equilibria, hydrogen bonding pattern, complexations, and in acidic solutions also the site of protonation. Our study concerns with the differences in electron density distribution among purine derivatives substituted either in position N-3, N-7 or N-9. Chemical shift tensors of the 13C atoms and the 15N atoms are studied in the connection with the position of substitution. Simultaneously, coupling constants for these structures are investigated. Experimental results are correlated with data obtained by quantum chemical calculations. This work also aims to help with solving the problem of tautomerism in some purine derivatives. (en)
- Deriváty purinu jsou významné díky své biologické aktivitě. Rozhodující vliv na chemickou reaktivitu a tím i na biologickou aktivitu těchto sloučenin má rozložení elektronů v jejich molekule, které je spojeno s tautomerními rovnováhami, vznikem vodíkových vazeb, způsobem komplexace a v kyselém prostředí rovněž s místem protonace molekuly. Studovány jsou změny v rozložení elektronové hustoty u derivátů purinu substituovaných v poloze N-3, N-7, nebo N-9. V závislosti na místě substituce jsou analyzovány tenzory chemických posunů atomů 13C a 15N a příslušné interakční konstanty. Experimentální výsledky jsou srovnávány s daty získanými kvantově chemickými výpočty. Práce bude využita ke studiu tautomerie u analogických sloučenin. (cs)
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| Title
| - Studium struktury a NMR parametrů N-substituovaných derivátů purinu (cs)
- Study of Structure and NMR Parameters of N-Substituted Purine Derivatives
- Study of Structure and NMR Parameters of N-Substituted Purine Derivatives (en)
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| skos:prefLabel
| - Studium struktury a NMR parametrů N-substituovaných derivátů purinu (cs)
- Study of Structure and NMR Parameters of N-Substituted Purine Derivatives
- Study of Structure and NMR Parameters of N-Substituted Purine Derivatives (en)
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| skos:notation
| - RIV/00216224:14310/04:00021213!RIV08-MSM-14310___
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| http://linked.open.../vavai/riv/strany
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/00216224:14310/04:00021213
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - nmr spectroscopy; chemical shifts; coupling constants (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...v/mistoKonaniAkce
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| http://linked.open...i/riv/mistoVydani
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| http://linked.open...i/riv/nazevZdroje
| - VII Synthetic Chemistry Meeting and XXVI Finnish NMR Symposium
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
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| http://linked.open...cetTvurcuVysledku
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| http://linked.open...vavai/riv/projekt
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| http://linked.open...UplatneniVysledku
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| http://linked.open...iv/tvurceVysledku
| - Hocek, Michal
- Marek, Radek
- Toušek, Jaromír
- Maliňáková, Kateřina
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| http://linked.open...vavai/riv/typAkce
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| http://linked.open.../riv/zahajeniAkce
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| number of pages
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| http://purl.org/ne...btex#hasPublisher
| - Department of Chemistry, University of Jyväskylä
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| https://schema.org/isbn
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| http://localhost/t...ganizacniJednotka
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