NMR Studies of Purines

C 2005

NMR Studies of Purines

MAREK, Radek and Vladimír SKLENÁŘ

Basic information

Original name

NMR Studies of Purines

Name in Czech

NMR studium purinů

Authors

MAREK, Radek (203 Czech Republic, guarantor, belonging to the institution) and Vladimír SKLENÁŘ (203 Czech Republic, belonging to the institution)

Edition

London, Annual Reports on NMR Spectroscopy, p. 201-242, 41 pp. 54, 2005

Publisher

Elsevier Ltd.

Other information

Language

English

Type of outcome

Kapitola resp. kapitoly v odborné knize

Field of Study

10403 Physical chemistry

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

Publication form

electronic version available online

References:

DOI: 10.1016/S0066-4103(04)54005-X

RIV identification code

RIV/00216224:14310/05:00013569

Organization unit

Faculty of Science

ISBN

0-12-505454-8

DOI

http://dx.doi.org/10.1016/S0066-4103(04)54005-X

UT WoS

000228553100005

Keywords in English

NMR; purines; chemical shifts; coupling constants; tautomerism; protonation; complexation

Abstract

ORIG CZ

V originále

This contribution reviews applications of NMR spectroscopy in the investigation of the structure and the intra- and intermolecular interactions of purine derivatives. Purines represent a highly important class of heterocyclic compounds that are widely distributed in all living organisms, not only as constituents of nucleic acids, but also as signal molecules. Their structure, electron distribution, and proton-transfer processes determine their chemical reactivity, interactions with solvents, and, subsequently, also their biological activity and function. Along with X-ray diffraction, NMR spectroscopy represents one of the most important experimental tools for investigating molecular topology at the atomic level. In the following text, NMR methods suitable for studying the purine structure and their application to exploring samples at natural levels of the 13C and 15N isotopes are briefly reviewed. As will be shown, isotropic 13C and 15N chemical shifts, 1H-13C one- and three-bond J-coupling constants and 1H-15N one- and two-bond couplings are the commonly used characteristic parameters for NMR in the solution state. In the solid state, CP MAS spectra of powder samples provide the principal values of the chemical-shift tensors. Quantum chemical calculations on the DFT level support and explain the experimental data. Due to the extremely wide scope of the topic, no attempt is made to cover the area completely. Rather, typical examples of applications and recently published contributions in all of the areas identified above are included to provide the reader with a summary of the current efforts to increase our knowledge and understanding of the interactions at the atomic, molecular and intermolecular level in purine and its derivatives.

In Czech

Tento příspěvek shrnuje aplikace NMR spektroskopie při studiu struktury, intramolekulárních a intermolekulárních interakcí derivátů purinu.

Links

LN00A016, research and development project

Name: BIOMOLEKULÁRNÍ CENTRUM

Investor: Ministry of Education, Youth and Sports of the CR, Biomolecular Center

Citovat

MAREK, Radek and Vladimír SKLENÁŘ. NMR Studies of Purines. Online. In Annual Reports on NMR Spectroscopy. London: Elsevier Ltd., 2005, p. 201-242, 41 pp. 54. ISBN 0-12-505454-8. Available from: https://dx.doi.org/10.1016/S0066-4103(04)54005-X.

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   author = {Marek, Radek and Sklenář, Vladimír},
   address = {London},
   booktitle = {Annual Reports on NMR Spectroscopy},
   doi = {http://dx.doi.org/10.1016/S0066-4103(04)54005-X},
   keywords = {NMR; purines; chemical shifts; coupling constants; tautomerism; protonation; complexation},
   howpublished = {elektronická verze "online"},
   language = {eng},
   location = {London},
   isbn = {0-12-505454-8},
   pages = {201-242},
   publisher = {Elsevier Ltd.},
   title = {NMR Studies of Purines},
   url = {http://dx.doi.org/10.1016/S0066-4103(04)54005-X},
   year = {2005}
}

TY  - CHAP
ID  - 562481
AU  - Marek, Radek - Sklenář, Vladimír
PY  - 2005
TI  - NMR Studies of Purines
VL  - 54
PB  - Elsevier Ltd.
CY  - London
SN  - 0125054548
KW  - NMR
KW  - purines
KW  - chemical shifts
KW  - coupling constants
KW  - tautomerism
KW  - protonation
KW  - complexation
UR  - http://dx.doi.org/10.1016/S0066-4103(04)54005-X
L2  - http://dx.doi.org/10.1016/S0066-4103(04)54005-X
N2  - This contribution reviews applications of NMR spectroscopy in the investigation of the structure and the intra- and intermolecular interactions of purine derivatives. Purines represent a highly important class of heterocyclic compounds that are widely distributed in all living organisms, not only as constituents of nucleic acids, but also as signal molecules. Their structure, electron distribution, and proton-transfer processes determine their chemical reactivity, interactions with solvents, and, subsequently, also their biological activity and function. Along with X-ray diffraction, NMR spectroscopy represents one of the most important experimental tools for investigating molecular topology at the atomic level. In the following text, NMR methods suitable for studying the purine structure and their application to exploring samples at natural levels of the 13C and 15N isotopes are briefly reviewed. As will be shown, isotropic 13C and 15N chemical shifts, 1H-13C one- and three-bond J-coupling constants and 1H-15N one- and two-bond couplings are the commonly used characteristic parameters for NMR in the solution state. In the solid state, CP MAS spectra of powder samples provide the principal values of the chemical-shift tensors. Quantum chemical calculations on the DFT level support and explain the experimental data. Due to the extremely wide scope of the topic, no attempt is made to cover the area completely. Rather, typical examples of applications and recently published contributions in all of the areas identified above are included to provide the reader with a summary of the current efforts to increase our knowledge and understanding of the interactions at the atomic, molecular and intermolecular level in purine and its derivatives.
ER  -

MAREK, Radek and Vladimír SKLENÁŘ. NMR Studies of Purines. Online. In \textit{Annual Reports on NMR Spectroscopy}. London: Elsevier Ltd., 2005, p.~201-242, 41 pp. 54. ISBN~0-12-505454-8. Available from: https://dx.doi.org/10.1016/S0066-4103(04)54005-X.

Detailed Information on Publication Record