Superoxide radical scavenging by sodium 4,5-dihydroxybenzene-1,3-disulfonate dissolved in water: Experimental and quantum chemical studies

Liubimovskii, S.O.; Ustynyuk, L.Y.; Tikhonov, A.N.

Статья опубликована в высокорейтинговом журнале

Информация о цитировании статьи получена из Web of Science, Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 4 июня 2021 г.

Авторы: Liubimovskii Sergei O., Ustynyuk Leila Yu, Tikhonov Alexander N.
Журнал: Journal of Molecular Liquids
Том: 333
Год издания: 2021
Издательство: Elsevier BV
Местоположение издательства: Netherlands
Номер статьи: 115810
DOI: 10.1016/j.molliq.2021.115810
Аннотация: Tiron (sodium 4,5-dihydroxybenzene-1,3-disulfonate) is often used as a probe for detection of superoxide radicals. In this work, we have studied the interaction of Tiron with superoxide radicals dissolved in water solutions. The density functional theory (DFT) methods were used for scrutinizing electron and energy characteristics of Tiron radicals in the systems modeling freshwater and salt water. In water solution at neutral pH, deprotonated form of superoxide radical, O2•- dominates over the protonated form HO2•. Fully reduced (TH2) and fully oxidized (T) species of Tiron react with superoxide radicals, leading to the formation of the Tiron semiquinone radical. DFT calculations show that the reactions of O2•- with TH2 and T in water solution will advance if these reactions are catalyzed by hydronium ions: TH2 + O2•- + H3O+ → TH• + H2O2 + H2O and T + O2•- + H3O+ → TH• + O2 + H2O. EPR and DFT data show that Tiron radicals dissolved in neutral water solution exist predominantly in deprotonated state T•- The constants of the hyperfine coupling between an unpaired electron and the hydrogen atoms of deprotonated radicals T•-, computed for freshwater and seawater solutions, are in a fairly good agreement with experimental constants derived from the electron paramagnetic resonance spectra of Tiron radicals.
Добавил в систему: Устынюк Лейла Юрьевна

	ИСТИНА	Войти в систему Регистрация
	Интеллектуальная Система Тематического Исследования НАукометрических данных
	Главная Поиск Статистика О проекте Помощь

ИСТИНА

Интеллектуальная Система Тематического Исследования НАукометрических данных

Superoxide radical scavenging by sodium 4,5-dihydroxybenzene-1,3-disulfonate dissolved in water: Experimental and quantum chemical studiesстатья Исследовательская статья

Прикрепленные файлы