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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

  • DOI - Digital Object Identifier

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 &lt;&lt; dGMP &lt; GMP &lt; dGuo &lt; 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

  • Czech description

Classification

  • Type

    D - Article in proceedings

  • CEP classification

  • OECD FORD branch

    10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Result continuities

  • Project

  • 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

  • e-ISSN

  • 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