NMR Studies of Purines

C 2005

NMR Studies of Purines

MAREK, Radek a Vladimír SKLENÁŘ

Základní údaje

Originální název

NMR Studies of Purines

Název česky

NMR studium purinů

Autoři

MAREK, Radek (203 Česká republika, garant, domácí) a Vladimír SKLENÁŘ (203 Česká republika, domácí)

Vydání

London, Annual Reports on NMR Spectroscopy, od s. 201-242, 41 s. 54, 2005

Nakladatel

Elsevier Ltd.

Další údaje

Jazyk

angličtina

Typ výsledku

Kapitola resp. kapitoly v odborné knize

Obor

10403 Physical chemistry

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Forma vydání

elektronická verze "online"

Odkazy

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

Kód RIV

RIV/00216224:14310/05:00013569

Organizační jednotka

Přírodovědecká fakulta

ISBN

0-12-505454-8

DOI

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

UT WoS

000228553100005

Klíčová slova anglicky

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

Štítky

chemical shifts, Complexation, coupling constants, NMR, PROTONATION, purines, tautomerism

Změněno: 25. 4. 2014 18:19, prof. RNDr. Radek Marek, Ph.D.

Anotace

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.

Česky

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

Návaznosti

LN00A016, projekt VaV

Název: BIOMOLEKULÁRNÍ CENTRUM

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, Biomolekulární centrum

Citovat

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

@inbook{562481,
   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 a Vladimír SKLENÁŘ. NMR Studies of Purines. Online. In \textit{Annual Reports on NMR Spectroscopy}. London: Elsevier Ltd., 2005, s.~201-242, 41 s. 54. ISBN~0-12-505454-8. Dostupné z: https://dx.doi.org/10.1016/S0066-4103(04)54005-X.

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