Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations
Autor(a) principal: | |
---|---|
Data de Publicação: | 2021 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1007/s11356-020-11715-x http://hdl.handle.net/11449/205506 |
Resumo: | This study aimed at investigating the photochemical behavior of sulfa drugs containing five and six-membered heterocyclic substituents (sulfamethoxazole (SMX) and sulfadiazine (SDZ), respectively), in an aqueous medium. Despite their importance, studies devoted to the use of photochemical models to predict the environmental phototransformation of pollutants in surface waters, by combining laboratory results and natural aquatic systems parameters, are still scarce in the scientific literature. In this work, the second-order reaction rate constants of SDZ and SMX with hydroxyl radicals (●OH), singlet oxygen (1O2), and triplet excited states of chromophoric dissolved organic matter (3CDOM*) were experimentally determined at pH 7, using the competition kinetics approach. The results show that ●OH and 3CDOM* are the key species involved in sulfonamide degradation, with anionic SMX, most prevalent at pH 6–9, being degraded much slower than the anionic form of SDZ. Moreover, SDZ and SMX photodegradation in natural water samples (spring-fed natural pond, public supply reservoir, and sea water) was significantly enhanced relative to depletion in pure water. Finally, from mathematical simulations of the sunlight-driven sulfonamide degradation, half-life times were predicted for these drugs varying from less than 2 to about 90 days, depending on the water depth, concentration of key species (DOC, HCO3−, NO2−, CO32−) in natural aqueous systems, as well as on the particular heterocyclic substituent. |
id |
UNSP_fd56e2d043baf755e48b7a7a2fb42650 |
---|---|
oai_identifier_str |
oai:repositorio.unesp.br:11449/205506 |
network_acronym_str |
UNSP |
network_name_str |
Repositório Institucional da UNESP |
repository_id_str |
2946 |
spelling |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulationsEnvironmental persistenceMathematical modelingPhotolysisReactive photo-induced species (RPS)Real aqueous matricesSulfonamidesThis study aimed at investigating the photochemical behavior of sulfa drugs containing five and six-membered heterocyclic substituents (sulfamethoxazole (SMX) and sulfadiazine (SDZ), respectively), in an aqueous medium. Despite their importance, studies devoted to the use of photochemical models to predict the environmental phototransformation of pollutants in surface waters, by combining laboratory results and natural aquatic systems parameters, are still scarce in the scientific literature. In this work, the second-order reaction rate constants of SDZ and SMX with hydroxyl radicals (●OH), singlet oxygen (1O2), and triplet excited states of chromophoric dissolved organic matter (3CDOM*) were experimentally determined at pH 7, using the competition kinetics approach. The results show that ●OH and 3CDOM* are the key species involved in sulfonamide degradation, with anionic SMX, most prevalent at pH 6–9, being degraded much slower than the anionic form of SDZ. Moreover, SDZ and SMX photodegradation in natural water samples (spring-fed natural pond, public supply reservoir, and sea water) was significantly enhanced relative to depletion in pure water. Finally, from mathematical simulations of the sunlight-driven sulfonamide degradation, half-life times were predicted for these drugs varying from less than 2 to about 90 days, depending on the water depth, concentration of key species (DOC, HCO3−, NO2−, CO32−) in natural aqueous systems, as well as on the particular heterocyclic substituent.Research Group in Advanced Oxidation Processes (AdOx) Department of Chemical Engineering University of São Paulo, Av. Prof. Luciano Gualberto, tr. 3, 380Chemical Systems Engineering Center Department of Chemical Engineering University of São Paulo, Av. Prof. Luciano Gualberto, tr. 3, 380Energy Engineering Department São Paulo State University (UNESP), Av. Dos Barrageiros, 1881Energy Engineering Department São Paulo State University (UNESP), Av. Dos Barrageiros, 1881Universidade de São Paulo (USP)Universidade Estadual Paulista (Unesp)Lastre-Acosta, Arlen MabelCristofoli, Bruno SegawaParizi, Marcela Prado Silva [UNESP]do Nascimento, Claudio Augusto OllerTeixeira, Antonio Carlos Silva Costa2021-06-25T10:16:34Z2021-06-25T10:16:34Z2021-05-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article23887-23895http://dx.doi.org/10.1007/s11356-020-11715-xEnvironmental Science and Pollution Research, v. 28, n. 19, p. 23887-23895, 2021.1614-74990944-1344http://hdl.handle.net/11449/20550610.1007/s11356-020-11715-x2-s2.0-85096463794Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengEnvironmental Science and Pollution Researchinfo:eu-repo/semantics/openAccess2021-10-23T14:47:58Zoai:repositorio.unesp.br:11449/205506Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462024-08-05T17:10:15.318888Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
title |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
spellingShingle |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations Lastre-Acosta, Arlen Mabel Environmental persistence Mathematical modeling Photolysis Reactive photo-induced species (RPS) Real aqueous matrices Sulfonamides |
title_short |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
title_full |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
title_fullStr |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
title_full_unstemmed |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
title_sort |
Photochemical persistence of sulfa drugs in aqueous medium: kinetic study and mathematical simulations |
author |
Lastre-Acosta, Arlen Mabel |
author_facet |
Lastre-Acosta, Arlen Mabel Cristofoli, Bruno Segawa Parizi, Marcela Prado Silva [UNESP] do Nascimento, Claudio Augusto Oller Teixeira, Antonio Carlos Silva Costa |
author_role |
author |
author2 |
Cristofoli, Bruno Segawa Parizi, Marcela Prado Silva [UNESP] do Nascimento, Claudio Augusto Oller Teixeira, Antonio Carlos Silva Costa |
author2_role |
author 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 Cristofoli, Bruno Segawa Parizi, Marcela Prado Silva [UNESP] do Nascimento, Claudio Augusto Oller Teixeira, Antonio Carlos Silva Costa |
dc.subject.por.fl_str_mv |
Environmental persistence Mathematical modeling Photolysis Reactive photo-induced species (RPS) Real aqueous matrices Sulfonamides |
topic |
Environmental persistence Mathematical modeling Photolysis Reactive photo-induced species (RPS) Real aqueous matrices Sulfonamides |
description |
This study aimed at investigating the photochemical behavior of sulfa drugs containing five and six-membered heterocyclic substituents (sulfamethoxazole (SMX) and sulfadiazine (SDZ), respectively), in an aqueous medium. Despite their importance, studies devoted to the use of photochemical models to predict the environmental phototransformation of pollutants in surface waters, by combining laboratory results and natural aquatic systems parameters, are still scarce in the scientific literature. In this work, the second-order reaction rate constants of SDZ and SMX with hydroxyl radicals (●OH), singlet oxygen (1O2), and triplet excited states of chromophoric dissolved organic matter (3CDOM*) were experimentally determined at pH 7, using the competition kinetics approach. The results show that ●OH and 3CDOM* are the key species involved in sulfonamide degradation, with anionic SMX, most prevalent at pH 6–9, being degraded much slower than the anionic form of SDZ. Moreover, SDZ and SMX photodegradation in natural water samples (spring-fed natural pond, public supply reservoir, and sea water) was significantly enhanced relative to depletion in pure water. Finally, from mathematical simulations of the sunlight-driven sulfonamide degradation, half-life times were predicted for these drugs varying from less than 2 to about 90 days, depending on the water depth, concentration of key species (DOC, HCO3−, NO2−, CO32−) in natural aqueous systems, as well as on the particular heterocyclic substituent. |
publishDate |
2021 |
dc.date.none.fl_str_mv |
2021-06-25T10:16:34Z 2021-06-25T10:16:34Z 2021-05-01 |
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/s11356-020-11715-x Environmental Science and Pollution Research, v. 28, n. 19, p. 23887-23895, 2021. 1614-7499 0944-1344 http://hdl.handle.net/11449/205506 10.1007/s11356-020-11715-x 2-s2.0-85096463794 |
url |
http://dx.doi.org/10.1007/s11356-020-11715-x http://hdl.handle.net/11449/205506 |
identifier_str_mv |
Environmental Science and Pollution Research, v. 28, n. 19, p. 23887-23895, 2021. 1614-7499 0944-1344 10.1007/s11356-020-11715-x 2-s2.0-85096463794 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Environmental Science and Pollution Research |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
23887-23895 |
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 |
|
_version_ |
1808128765834821632 |