Benchmark theoretical and experimental study on 15N NMR Shifts of oxidatively damaged guanine
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F16%3A00502367" target="_blank" >RIV/68378271:_____/16:00502367 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.jpcb.5b11428" target="_blank" >http://dx.doi.org/10.1021/acs.jpcb.5b11428</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpcb.5b11428" target="_blank" >10.1021/acs.jpcb.5b11428</a>
Alternative languages
Result language
angličtina
Original language name
Benchmark theoretical and experimental study on 15N NMR Shifts of oxidatively damaged guanine
Original language description
The 15N NMR shifts of 9-ethyl-8-oxoguanine (OG) were calculated and measured in liquid DMSO and in crystal. The calculated change of N9 NMR shift owing to notable N9-pyramidalization of OG in one previously found polymorph was 20.53 ppm. We therefore assume that the pyramidal geometry of N9 nitrogen that could occur for damaged DNA within hOGG1 catalytic site might be detectable with 15N NMR spectroscopy. The calculation protocol can be used for accurate structural interpretation of 15N NMR shifts of oxidatively damaged guanine DNA residue.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10610 - Biophysics
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry B
ISSN
1520-6106
e-ISSN
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Volume of the periodical
120
Issue of the periodical within the volume
5
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
915-925
UT code for WoS article
000370210600006
EID of the result in the Scopus database
2-s2.0-84958559485