Počet záznamů: 1
Mechanism and kinetics of photochemical transformation of ketoprofen and its degradation intermediates
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SYSNO ASEP 0498896 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Mechanism and kinetics of photochemical transformation of ketoprofen and its degradation intermediates Tvůrce(i) Hykrdová, Lenka (UFCH-W) RID, ORCID
Bajt, O. (SI)
Jirkovský, Jaromír (UFCH-W) RIDZdroj.dok. Journal of Hazardous Materials. - : Elsevier - ISSN 0304-3894
Roč. 353, JUL 2018 (2018), s. 70-79Poč.str. 10 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova waste-water treatment ; nonsteroidal antiinflammatory drugs ; endocrine disrupting compounds ; sewage-treatment plants ; aqueous-solution ; benzophenone chromophore ; pharmaceutical residues Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Obor OECD Physical chemistry Institucionální podpora UFCH-W - RVO:61388955 UT WOS 000438002800009 EID SCOPUS 85055016899 DOI 10.1016/j.jhazmat.2018.03.048 Anotace Ketoprofen, 2-(3-benzoylphenyl)-propionic acid, a widely used non-steroidal anti-inflammatory drug, is considered as an important water pollutant. Kinetics and mechanism of its photolytic transformation in aqueous solutions was studied experimentally and partial reaction steps were modelled by means of quantum chemistry methods. While the rate of ketoprofen photolysis was not significantly affected by its acid-base equilibrium, a marked influence of pH on the subsequent degradation reactions was observed. At pH 1.3, two oxygenated primary products were identified, that underwent fast photolysis. Deprotonated form of ketoprofen was transformed preferentially to ethylbenzophenone and further degradation proceeded substantially slower. Oxygen participated on photolytic processes both as a reactant and the triplet state quencher. The active involvement of water molecules in the reaction mechanism was investigated by comparative experiments in acetonitrile. The phototransformation mechanism proposed based on the experimental data corresponded well with the theoretical results. Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2019
Počet záznamů: 1