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Kinetics and products of the aqueous-phase oxidation of β-caryophyllonic acid by hydroxyl radicals

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cris.lastimport.scopus2024-02-12T20:48:14Z
dc.abstract.enKinetics and mechanism of β-caryophyllonic acid (BCA) oxidation by hydroxyl radicals (OH) in the aqueousphase were investigated at 298 ± 2 K using liquid chromatography (LC) coupled to the electrospray ionization (ESI) mass spectrometry (MS). Triple quadrupole mass spectrometer operating in the multiple reaction monitoring (MRM) was used to follow concentrations of organic compounds during the photooxidation at cloudrelevant concentrations (several μM). The rate coefficients obtained for BCA + OH reaction were: 4.2 ± 0.5×1010M−1s−1 at pH=2 and 6.5 ± 0.7×109M−1s−1 at pH=8. The kinetic data obtained in this study was used to estimate atmospheric lifetimes of BCA in the aqueous-phase: between 24 min and 12 h depending on pH. The results indicated that aqueous-phase oxidation is a relevant removal pathway for this compound in clouds, fogs and wet aerosols. The products of BCA + OH reaction were studied with the high resolution tandem MS. The two major, first-generation products identified were keto-BCA and hydroxyl-hydroperoxy BCA; these two molecules were formed by OH addition to the terminal C=C bond of the precursor. The rest of the products were identified as oxygenated BCA derivatives with O:C ratios higher than the precursor although some fragmentation of the original carbon backbone was also observed. Thus, the data acquired provided insights into the mechanism of BCA + OH reaction.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorAl-sharafi, Mohammed
dc.contributor.authorGierczak, Tomasz
dc.contributor.authorWitkowski, Bartłomiej
dc.date.accessioned2024-01-25T04:47:30Z
dc.date.available2024-01-25T04:47:30Z
dc.date.issued2019
dc.description.financeNie dotyczy
dc.description.volume213
dc.identifier.doi10.1016/J.ATMOSENV.2019.06.016
dc.identifier.issn1352-2310
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/110363
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofAtmospheric Environment
dc.relation.pages231-238
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.subject.enβ-Caryophyllene
dc.subject.enSecondary organic aerosol
dc.subject.enAqueous-phase
dc.subject.enRelative rates
dc.subject.enHydroxyl radicals
dc.titleKinetics and products of the aqueous-phase oxidation of β-caryophyllonic acid by hydroxyl radicals
dc.typeJournalArticle
dspace.entity.typePublication