Mechanism and kinetics of photochemical transformation of ketoprofen and its degradation intermediates

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F18%3A00498896" target="_blank" >RIV/61388955:_____/18:00498896 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jhazmat.2018.03.048" target="_blank" >http://dx.doi.org/10.1016/j.jhazmat.2018.03.048</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jhazmat.2018.03.048" target="_blank" >10.1016/j.jhazmat.2018.03.048</a>

Result language
angličtina
Original language name
Mechanism and kinetics of photochemical transformation of ketoprofen and its degradation intermediates
Original language description
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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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