Correlation of the first reduction potential of selected radiosensitizers determined by cyclic voltammetry with theoretical calculations

Kód výsledku v IS VaVaI

RIV/61388955:_____/11:00361508 - isvavai.cz

Výsledek na webu

http://dx.doi.org/10.1135/cccc2011067

DOI - Digital Object Identifier

10.1135/cccc2011067

Jazyk výsledku

angličtina

Název v původním jazyce

Correlation of the first reduction potential of selected radiosensitizers determined by cyclic voltammetry with theoretical calculations

Popis výsledku v původním jazyce

Radiosensitizers are drugs that make cancer cells more sensitive to radiation therapy. The cytotoxic properties of such compounds are due to the fact that in the cell these compounds undergo one-electron reduction to generate radical anions. Therefore, their theoretical and/or experimental study is of high interest. To determine the correlation between reduction potential determined by cyclic voltammetry measurements and some physicochemical properties of selected radiosensitizers theoretical calculations of electron affinities based on the DFT method with B3LYP functional at the level of 6-311++G** basis set in vacuum were utilized. Very good correlation was found between electron affinities of radiosensitizers and their reduction potential and so called E71 potential that account for the energy necessary to transfer the first electron to an electroactive group at pH 7 in aqueous medium to form a radical anion.

Název v anglickém jazyce

Correlation of the first reduction potential of selected radiosensitizers determined by cyclic voltammetry with theoretical calculations

Popis výsledku anglicky

Radiosensitizers are drugs that make cancer cells more sensitive to radiation therapy. The cytotoxic properties of such compounds are due to the fact that in the cell these compounds undergo one-electron reduction to generate radical anions. Therefore, their theoretical and/or experimental study is of high interest. To determine the correlation between reduction potential determined by cyclic voltammetry measurements and some physicochemical properties of selected radiosensitizers theoretical calculations of electron affinities based on the DFT method with B3LYP functional at the level of 6-311++G** basis set in vacuum were utilized. Very good correlation was found between electron affinities of radiosensitizers and their reduction potential and so called E71 potential that account for the energy necessary to transfer the first electron to an electroactive group at pH 7 in aqueous medium to form a radical anion.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CG - Elektrochemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Collection of Czechoslovak Chemical Communications

ISSN

0010-0765

e-ISSN

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Svazek periodika

76

Číslo periodika v rámci svazku

8

Stát vydavatele periodika

CZ - Česká republika

Počet stran výsledku

10

Strana od-do

937-946

Kód UT WoS článku

000298002900001

EID výsledku v databázi Scopus

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