Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations

Detalhes bibliográficos
Autor(a) principal: Lastre-Acosta, Arlen Mabel
Data de Publicação: 2018
Outros Autores: Barberato, Bruna, Parizi, Marcela Prado Silva [UNESP], Teixeira, Antonio Carlos Silva Costa
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UNESP
Texto Completo: http://dx.doi.org/10.1007/s11356-018-2555-4
http://hdl.handle.net/11449/171121
Resumo: The purpose of this study was to investigate the aqueous phase photochemical behavior of enoxacin (ENO), an antibiotic selected as a model pollutant of emerging concern. The second-order reaction rate constants of ENO with hydroxyl radicals (HO●) and singlet oxygen (1O2) were determined at pH 3, 7, and 9. Also, the rate constants of the electron transfer reaction between ENO and triplet states of chromophoric dissolved organic matter (3CDOM*) are reported for the first time, based on anthraquinone-2-sulfonate (AQ2S) as CDOM proxy. The sunlight-driven direct and indirect ENO degradation in the presence of dissolved organic matter (DOM) is also discussed. The results show that direct photolysis, which occurs more rapidly at higher pH, along with the reactions with HO● and 3AQ2S*, is the key pathway involved in ENO degradation. The ENO zwitterions, prevailing at pH 7, show kENO, HO●, kENO,1O2, and kENO,3AQ2S* of (14.0 ± 0.8) × 1010, (3.9 ± 0.2) × 106, and (61.5 ± 0.7) × 108 L mol−1 s−1, respectively, whose differences at pH 3, 7, and 9 are due to ENO pH-dependent speciation and reactivity. These k values, along with the experimental ENO photolysis quantum yield, were used in mathematical simulations for predicting ENO persistence in sunlit natural waters. According to the simulations, dissolved organic matter and water depth are expected to have the highest impacts on ENO half-life, varying from a few hours to days in summertime, depending on the concentrations of relevant waterborne species (organic matter, NO3−, NO2−, HCO3−).
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spelling Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulationsAntibioticsDirect and indirect photodegradationDissolved organic matterEnoxacinEnvironmental photochemical fateMathematical modelingReactive photo-induced speciesThe purpose of this study was to investigate the aqueous phase photochemical behavior of enoxacin (ENO), an antibiotic selected as a model pollutant of emerging concern. The second-order reaction rate constants of ENO with hydroxyl radicals (HO●) and singlet oxygen (1O2) were determined at pH 3, 7, and 9. Also, the rate constants of the electron transfer reaction between ENO and triplet states of chromophoric dissolved organic matter (3CDOM*) are reported for the first time, based on anthraquinone-2-sulfonate (AQ2S) as CDOM proxy. The sunlight-driven direct and indirect ENO degradation in the presence of dissolved organic matter (DOM) is also discussed. The results show that direct photolysis, which occurs more rapidly at higher pH, along with the reactions with HO● and 3AQ2S*, is the key pathway involved in ENO degradation. The ENO zwitterions, prevailing at pH 7, show kENO, HO●, kENO,1O2, and kENO,3AQ2S* of (14.0 ± 0.8) × 1010, (3.9 ± 0.2) × 106, and (61.5 ± 0.7) × 108 L mol−1 s−1, respectively, whose differences at pH 3, 7, and 9 are due to ENO pH-dependent speciation and reactivity. These k values, along with the experimental ENO photolysis quantum yield, were used in mathematical simulations for predicting ENO persistence in sunlit natural waters. According to the simulations, dissolved organic matter and water depth are expected to have the highest impacts on ENO half-life, varying from a few hours to days in summertime, depending on the concentrations of relevant waterborne species (organic matter, NO3−, NO2−, HCO3−).Research Group in Advanced Oxidation Processes (AdOx) Chemical Systems Engineering Center Department of Chemical Engineering University of São Paulo, Av. Prof. Luciano Gualberto, tr. 3Department of Energy Engineering São Paulo State University (UNESP), Av. BarrageirosDepartment of Energy Engineering São Paulo State University (UNESP), Av. BarrageirosUniversidade de São Paulo (USP)Universidade Estadual Paulista (Unesp)Lastre-Acosta, Arlen MabelBarberato, BrunaParizi, Marcela Prado Silva [UNESP]Teixeira, Antonio Carlos Silva Costa2018-12-11T16:54:00Z2018-12-11T16:54:00Z2018-06-21info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article1-11application/pdfhttp://dx.doi.org/10.1007/s11356-018-2555-4Environmental Science and Pollution Research, p. 1-11.1614-74990944-1344http://hdl.handle.net/11449/17112110.1007/s11356-018-2555-42-s2.0-850487830012-s2.0-85048783001.pdf0369255510931164Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengEnvironmental Science and Pollution Research0,858info:eu-repo/semantics/openAccess2023-12-09T06:23:02Zoai:repositorio.unesp.br:11449/171121Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T19:52:11.686068Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
title Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
spellingShingle Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
Lastre-Acosta, Arlen Mabel
Antibiotics
Direct and indirect photodegradation
Dissolved organic matter
Enoxacin
Environmental photochemical fate
Mathematical modeling
Reactive photo-induced species
title_short Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
title_full Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
title_fullStr Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
title_full_unstemmed Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
title_sort Direct and indirect photolysis of the antibiotic enoxacin: kinetics of oxidation by reactive photo-induced species and simulations
author Lastre-Acosta, Arlen Mabel
author_facet Lastre-Acosta, Arlen Mabel
Barberato, Bruna
Parizi, Marcela Prado Silva [UNESP]
Teixeira, Antonio Carlos Silva Costa
author_role author
author2 Barberato, Bruna
Parizi, Marcela Prado Silva [UNESP]
Teixeira, Antonio Carlos Silva Costa
author2_role author
author
author
dc.contributor.none.fl_str_mv Universidade de São Paulo (USP)
Universidade Estadual Paulista (Unesp)
dc.contributor.author.fl_str_mv Lastre-Acosta, Arlen Mabel
Barberato, Bruna
Parizi, Marcela Prado Silva [UNESP]
Teixeira, Antonio Carlos Silva Costa
dc.subject.por.fl_str_mv Antibiotics
Direct and indirect photodegradation
Dissolved organic matter
Enoxacin
Environmental photochemical fate
Mathematical modeling
Reactive photo-induced species
topic Antibiotics
Direct and indirect photodegradation
Dissolved organic matter
Enoxacin
Environmental photochemical fate
Mathematical modeling
Reactive photo-induced species
description The purpose of this study was to investigate the aqueous phase photochemical behavior of enoxacin (ENO), an antibiotic selected as a model pollutant of emerging concern. The second-order reaction rate constants of ENO with hydroxyl radicals (HO●) and singlet oxygen (1O2) were determined at pH 3, 7, and 9. Also, the rate constants of the electron transfer reaction between ENO and triplet states of chromophoric dissolved organic matter (3CDOM*) are reported for the first time, based on anthraquinone-2-sulfonate (AQ2S) as CDOM proxy. The sunlight-driven direct and indirect ENO degradation in the presence of dissolved organic matter (DOM) is also discussed. The results show that direct photolysis, which occurs more rapidly at higher pH, along with the reactions with HO● and 3AQ2S*, is the key pathway involved in ENO degradation. The ENO zwitterions, prevailing at pH 7, show kENO, HO●, kENO,1O2, and kENO,3AQ2S* of (14.0 ± 0.8) × 1010, (3.9 ± 0.2) × 106, and (61.5 ± 0.7) × 108 L mol−1 s−1, respectively, whose differences at pH 3, 7, and 9 are due to ENO pH-dependent speciation and reactivity. These k values, along with the experimental ENO photolysis quantum yield, were used in mathematical simulations for predicting ENO persistence in sunlit natural waters. According to the simulations, dissolved organic matter and water depth are expected to have the highest impacts on ENO half-life, varying from a few hours to days in summertime, depending on the concentrations of relevant waterborne species (organic matter, NO3−, NO2−, HCO3−).
publishDate 2018
dc.date.none.fl_str_mv 2018-12-11T16:54:00Z
2018-12-11T16:54:00Z
2018-06-21
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1007/s11356-018-2555-4
Environmental Science and Pollution Research, p. 1-11.
1614-7499
0944-1344
http://hdl.handle.net/11449/171121
10.1007/s11356-018-2555-4
2-s2.0-85048783001
2-s2.0-85048783001.pdf
0369255510931164
url http://dx.doi.org/10.1007/s11356-018-2555-4
http://hdl.handle.net/11449/171121
identifier_str_mv Environmental Science and Pollution Research, p. 1-11.
1614-7499
0944-1344
10.1007/s11356-018-2555-4
2-s2.0-85048783001
2-s2.0-85048783001.pdf
0369255510931164
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Environmental Science and Pollution Research
0,858
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 1-11
application/pdf
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv
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