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

SYSNO ASEP	0361508
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Correlation of the first reduction potential of selected radiosensitizers determined by cyclic voltammetry with theoretical calculations
Author(s)	Gál, Miroslav (UFCH-W) Kolivoška, Viliam (UFCH-W)_{RID, ORCID} Ambrová, M. (SK) Híveš, J. (SK) Sokolová, Romana (UFCH-W)_{RID, ORCID, SAI}
Source Title	Collection of Czechoslovak Chemical Communications. - : Ústav organické chemie a biochemie AV ČR, v. v. i. - ISSN 0010-0765 Roč. 76, č. 8 (2011), s. 937-946
Number of pages	10 s.
Language	eng - English
Country	CZ - Czech Republic
Keywords	cyclic voltammetry ; radical ions ; radiochemistry
Subject RIV	CG - Electrochemistry
R&D Projects	GP203/09/P502 GA ČR - Czech Science Foundation (CSF)
	GA203/09/0705 GA ČR - Czech Science Foundation (CSF)
	LC510 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z40400503 - UFCH-W (2005-2011)
UT WOS	000298002900001
DOI	10.1135/cccc2011067
Annotation	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.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2012

Number of the records: 1