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dc.contributor.authorSieira Novoa, Benigno José
dc.contributor.authorRodil Rodríguez, María del Rosario
dc.contributor.authorCela Torrijos, Rafael
dc.contributor.authorQuintana Álvarez, José Benito
dc.contributor.authorMontes Goyanes, Rosa María
dc.identifier.citationB. Sieira et al. Chemosphere 287 (2022) 132394
dc.description.abstractThis work investigates the reaction of 1-vinyl-2-pyrrolidinone (VP) and 2-piperazin-1-yletanamine (PPE) under UV radiation. Both substances are high-volume production chemicals (production >1000 tons/year) widely used in polymers, coatings and a wide array of applications, which have been classified as mobile chemicals and which can then lead to the formation of persistent and mobile transformation products (TPs). Thus, their reaction with UV light was studied by means of liquid chromatography-quadrupole-time-of-flight-mass spectrometry (LC-QTOF-MS). Both compounds presented a high reactivity, the VP quantum yield was 0.28 mol/E; whereas, PPE had a quantum yield notably higher than 1 (16 mol/E). Five and 7 TPs were identified for VP and PPE, respectively. Some of them had been already reported in literature due to sunlight photodegradation or other oxidation processes, but most of them are reported here for the first time. Finally, the acute and chronical toxicity of precursors and TPs were estimated using two quantitative structure-activity relationship (QSAR) software tools which led to some discrepancies in the estimations, pointing to the need for experimental toxicity assays for these compounds
dc.description.sponsorshipThis work was supported by the Water Challenges for a Changing World Joint Program Initiative (Water JPI) Pilot Call (ref. WATERJPI2013 – PROMOTE), funded by the Spanish Ministry of Economy and Competitiveness/Spanish Agencia Estatal de Investigación (refs. JPIW 2013-117, CTM2017-84763-C3-2-R and PID2020-117686RB-C32). We also acknowledge the Galician Council of Culture, Education and Universities (ref. ED431C2021/06). This research has been co-financed by the European Regional Development Fund through the Interreg V-A Spain-Portugal Programme (POCTEP) 2014–2020 (ref. 0725_NOR_WATER_1_P). It only reflects the author's view; thus, Programme authorities are not liable for any use that may be made of the information contained therein.
dc.relationinfo:eu-repo/grantAgreement/MINECO/Programa Estatal de I+D+I Orientada a los Retos de la Sociedad/JPIW 2013-117/ES/PROTECCION DE LOS RECURSOS ACUATICOS FRENTE A COMPUESTOS TRAZA ALTAMENTE MOVILES
dc.relationinfo:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/CTM2017-84763-C3-2-R/ES/EVALUACION DEL EXPOSOMA DE CONTAMINANTES EMERGENTES EN AMBIENTES ACUATICOS
dc.rights© 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (
dc.subjectPMT chemicals
dc.subjectHigh resolution mass spectrometry
dc.titleTransformation products of the high-volume production chemicals 1-vinyl-2-pyrrolidinone and 2-piperazin-1-ylethanamine formed by UV photolysis
dc.contributor.affiliationUniversidade de Santiago de Compostela. Departamento de Química Analítica, Nutrición e Bromatoloxía
dc.contributor.affiliationUniversidade de Santiago de Compostela. Instituto de Investigación e Análises Alimentarias

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© 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (
Except where otherwise noted, this item's license is described as  © 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (

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