Oxidation potentials of guanine species
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F19%3A00110351" target="_blank" >RIV/00216224:14310/19:00110351 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Oxidation potentials of guanine species
Original language description
Guanine (G) belongs to the most easily oxidizable nucleobases which is well known from various experimental and theoretical studies. Our contribution is directed towards studies, in which we compare theoretical oxidation potentials with their experimentally measured values for guanine (G), guanosine (Guo), deoxyguanosine (dGuo), guanosine -5´- monophosphate (GMP) and 2´- deoxyguanosine -5´- monophosphate (dGMP). For determination of experimental oxidation potentials of all G species linear sweep voltammetry was applied using polymer pencil graphite electrodes (pPeGEs). It was found that the oxidation process for all studied derivatives is irreversible and strongly pH dependent. Anodic peak potentials increase in the order G << dGMP < GMP < dGuo < Guo and correlate well with the calculated thermodynamic redox potentials. For the determination of theoretical oxidation potentials the structures of G and its derivatives were optimized and the identities of minima were verified by vibration frequency calculations. Redox equilibria were modeled in terms of corresponding thermochemical cycles. The changes in free energy were calculated at DFT level using two different functionals: (a) general purpose B3LYP functional, and (b) a more specific omegaB97X-D functional, both based on a 6-31+G(d) set. Conformity of theoretical and experimental data for radicals (cationic or neutral, respectively) indicates that the deprotonation process of G differs from its analogues whereas the oxidation process of all species takes place on the imidazole ring.
Czech name
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Czech description
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Classification
Type
D - Article in proceedings
CEP classification
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OECD FORD branch
10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
XIX. Workshop of Biophysical Chemists and Electrochemists
ISBN
9788021093096
ISSN
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e-ISSN
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Number of pages
2
Pages from-to
59-60
Publisher name
Masarykova univerzita
Place of publication
Brno
Event location
Brno
Event date
Jun 14, 2019
Type of event by nationality
EUR - Evropská akce
UT code for WoS article
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