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Environmental fate of methomyl pesticide in river water: Kinetic study, mathematical simulations and risk assessment
Methomyl (MET) is a pesticide widely used as an acaricide with toxic effects on aquatic organisms and humans. The environmental persistence of pollutants can be determined by different routes, including photochemical transformations driven by sunlight and photoproduced reactive intermediates such as...
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Published in: | Journal of environmental chemical engineering 2024-04, Vol.12 (2), p.112157, Article 112157 |
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creator | de Oliveira Sampaio Dantas, Ádila Larrondo Portiolli, Matheus Pinheiro de Souza, Larissa Mendonça Silva de Jesus, Juliana de Melo Carneiro, João Gabriel Ramos, Bruno Mabel Lastre-Acosta, Arlen Carlos Silva Costa Teixeira, Antonio |
description | Methomyl (MET) is a pesticide widely used as an acaricide with toxic effects on aquatic organisms and humans. The environmental persistence of pollutants can be determined by different routes, including photochemical transformations driven by sunlight and photoproduced reactive intermediates such as HO•, 3CDOM* , and 1O2. Photolytic experiments were carried out under simulated solar radiation, revealing a low value of the direct photolysis quantum yield, ΦMET = (2.01 ± 0.62) × 10−4 mol Einstein−1. The second-order kinetic rate constants of the reactions between MET and HO•, 3CDOM* , and 1O2 were also measured using the competition kinetics approach; the values obtained were kMET, HO• = (1.42 ± 0.04) × 109 L mol−1 s−1, kMET,3CBBP* = (3.49 ± 0.87) × 108 L mol−1 s−1 and kMET, 1O2 = (3.36 ± 1.09) × 104 L mol−1 s−1, respectively. Kinetic mathematical simulations were used to predict the half-life and self-purification distance of MET in a river, considering phenomena as photodegradation, adsorption, biodegradation, geographical location, and water chemistry. The half-life of MET was estimated to be 82 h, with biodegradation making the largest contribution to the drop in MET concentration. The relative contribution of photochemical pathways to MET degradation in sunlit water will depend greatly on the irradiance conditions, water depth and the environmental characteristics of the water body, including the concentrations of organic matter, nitrate, nitrate and carbonate. Finally, the predicted risk coefficients, also based on QSAR models, confirmed that MET and its metabolite S-methyl-N-hydroxythioacetamidate pose a high risk to aquatic species.
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•Reactivity with 3CDOM* and direct photolysis are the main photodegradation pathways.•Biodegradation drastically reduces the half-life of methomyl in river water.•Methomyl has a potential for bioconcentration but not for bioaccumulation.•Methomyl and its metabolite methomyl oxime pose a high risk to aquatic species. |
doi_str_mv | 10.1016/j.jece.2024.112157 |
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[Display omitted]
•Reactivity with 3CDOM* and direct photolysis are the main photodegradation pathways.•Biodegradation drastically reduces the half-life of methomyl in river water.•Methomyl has a potential for bioconcentration but not for bioaccumulation.•Methomyl and its metabolite methomyl oxime pose a high risk to aquatic species.</description><identifier>ISSN: 2213-3437</identifier><identifier>EISSN: 2213-3437</identifier><identifier>DOI: 10.1016/j.jece.2024.112157</identifier><language>eng</language><publisher>Elsevier Ltd</publisher><subject>Photochemical modeling ; Photolysis ; Photoproduced reactive intermediates ; Predicted half-life</subject><ispartof>Journal of environmental chemical engineering, 2024-04, Vol.12 (2), p.112157, Article 112157</ispartof><rights>2024 Elsevier Ltd</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c251t-d5b2d1d3267205240647ab16cd8a6b028e294b33b4a683cc335c84cd4b46268e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,777,781,27905,27906</link.rule.ids></links><search><creatorcontrib>de Oliveira Sampaio Dantas, Ádila</creatorcontrib><creatorcontrib>Larrondo Portiolli, Matheus</creatorcontrib><creatorcontrib>Pinheiro de Souza, Larissa</creatorcontrib><creatorcontrib>Mendonça Silva de Jesus, Juliana</creatorcontrib><creatorcontrib>de Melo Carneiro, João Gabriel</creatorcontrib><creatorcontrib>Ramos, Bruno</creatorcontrib><creatorcontrib>Mabel Lastre-Acosta, Arlen</creatorcontrib><creatorcontrib>Carlos Silva Costa Teixeira, Antonio</creatorcontrib><title>Environmental fate of methomyl pesticide in river water: Kinetic study, mathematical simulations and risk assessment</title><title>Journal of environmental chemical engineering</title><description>Methomyl (MET) is a pesticide widely used as an acaricide with toxic effects on aquatic organisms and humans. The environmental persistence of pollutants can be determined by different routes, including photochemical transformations driven by sunlight and photoproduced reactive intermediates such as HO•, 3CDOM* , and 1O2. Photolytic experiments were carried out under simulated solar radiation, revealing a low value of the direct photolysis quantum yield, ΦMET = (2.01 ± 0.62) × 10−4 mol Einstein−1. The second-order kinetic rate constants of the reactions between MET and HO•, 3CDOM* , and 1O2 were also measured using the competition kinetics approach; the values obtained were kMET, HO• = (1.42 ± 0.04) × 109 L mol−1 s−1, kMET,3CBBP* = (3.49 ± 0.87) × 108 L mol−1 s−1 and kMET, 1O2 = (3.36 ± 1.09) × 104 L mol−1 s−1, respectively. Kinetic mathematical simulations were used to predict the half-life and self-purification distance of MET in a river, considering phenomena as photodegradation, adsorption, biodegradation, geographical location, and water chemistry. The half-life of MET was estimated to be 82 h, with biodegradation making the largest contribution to the drop in MET concentration. The relative contribution of photochemical pathways to MET degradation in sunlit water will depend greatly on the irradiance conditions, water depth and the environmental characteristics of the water body, including the concentrations of organic matter, nitrate, nitrate and carbonate. Finally, the predicted risk coefficients, also based on QSAR models, confirmed that MET and its metabolite S-methyl-N-hydroxythioacetamidate pose a high risk to aquatic species.
[Display omitted]
•Reactivity with 3CDOM* and direct photolysis are the main photodegradation pathways.•Biodegradation drastically reduces the half-life of methomyl in river water.•Methomyl has a potential for bioconcentration but not for bioaccumulation.•Methomyl and its metabolite methomyl oxime pose a high risk to aquatic species.</description><subject>Photochemical modeling</subject><subject>Photolysis</subject><subject>Photoproduced reactive intermediates</subject><subject>Predicted half-life</subject><issn>2213-3437</issn><issn>2213-3437</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><recordid>eNp9kE1PwzAMhiMEEhPsD3DKD6AjX007xAVN40NM4gLnKE1cLaVNpyQb2r8n1Thwwgfbkv2-th6EbihZUELlXbfowMCCESYWlDJaVmdoxhjlBRe8Ov_TX6J5jB3JsVzSUtIZSmt_cGH0A_ike9zqBHhs8QBpOw7HHu8gJmecBew8Du4AAX_nnXCP35yHPMIx7e3xFg86bSEnZ7JNdMO-z_3oI9beZmH8wjpGiHE6dI0uWt1HmP_WK_T5tP5YvRSb9-fX1eOmMKykqbBlwyy1nMmKkZIJIkWlGyqNrbVsCKuBLUXDeSO0rLkxnJemFsaKRkgma-BXiJ18TRhjDNCqXXCDDkdFiZrQqU5N6NSETp3QZdHDSQT5s4ODoKJx4A1YF8AkZUf3n_wH6FF5GQ</recordid><startdate>202404</startdate><enddate>202404</enddate><creator>de Oliveira Sampaio Dantas, Ádila</creator><creator>Larrondo Portiolli, Matheus</creator><creator>Pinheiro de Souza, Larissa</creator><creator>Mendonça Silva de Jesus, Juliana</creator><creator>de Melo Carneiro, João Gabriel</creator><creator>Ramos, Bruno</creator><creator>Mabel Lastre-Acosta, Arlen</creator><creator>Carlos Silva Costa Teixeira, Antonio</creator><general>Elsevier Ltd</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>202404</creationdate><title>Environmental fate of methomyl pesticide in river water: Kinetic study, mathematical simulations and risk assessment</title><author>de Oliveira Sampaio Dantas, Ádila ; Larrondo Portiolli, Matheus ; Pinheiro de Souza, Larissa ; Mendonça Silva de Jesus, Juliana ; de Melo Carneiro, João Gabriel ; Ramos, Bruno ; Mabel Lastre-Acosta, Arlen ; Carlos Silva Costa Teixeira, Antonio</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c251t-d5b2d1d3267205240647ab16cd8a6b028e294b33b4a683cc335c84cd4b46268e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Photochemical modeling</topic><topic>Photolysis</topic><topic>Photoproduced reactive intermediates</topic><topic>Predicted half-life</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>de Oliveira Sampaio Dantas, Ádila</creatorcontrib><creatorcontrib>Larrondo Portiolli, Matheus</creatorcontrib><creatorcontrib>Pinheiro de Souza, Larissa</creatorcontrib><creatorcontrib>Mendonça Silva de Jesus, Juliana</creatorcontrib><creatorcontrib>de Melo Carneiro, João Gabriel</creatorcontrib><creatorcontrib>Ramos, Bruno</creatorcontrib><creatorcontrib>Mabel Lastre-Acosta, Arlen</creatorcontrib><creatorcontrib>Carlos Silva Costa Teixeira, Antonio</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of environmental chemical engineering</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>de Oliveira Sampaio Dantas, Ádila</au><au>Larrondo Portiolli, Matheus</au><au>Pinheiro de Souza, Larissa</au><au>Mendonça Silva de Jesus, Juliana</au><au>de Melo Carneiro, João Gabriel</au><au>Ramos, Bruno</au><au>Mabel Lastre-Acosta, Arlen</au><au>Carlos Silva Costa Teixeira, Antonio</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Environmental fate of methomyl pesticide in river water: Kinetic study, mathematical simulations and risk assessment</atitle><jtitle>Journal of environmental chemical engineering</jtitle><date>2024-04</date><risdate>2024</risdate><volume>12</volume><issue>2</issue><spage>112157</spage><pages>112157-</pages><artnum>112157</artnum><issn>2213-3437</issn><eissn>2213-3437</eissn><abstract>Methomyl (MET) is a pesticide widely used as an acaricide with toxic effects on aquatic organisms and humans. The environmental persistence of pollutants can be determined by different routes, including photochemical transformations driven by sunlight and photoproduced reactive intermediates such as HO•, 3CDOM* , and 1O2. Photolytic experiments were carried out under simulated solar radiation, revealing a low value of the direct photolysis quantum yield, ΦMET = (2.01 ± 0.62) × 10−4 mol Einstein−1. The second-order kinetic rate constants of the reactions between MET and HO•, 3CDOM* , and 1O2 were also measured using the competition kinetics approach; the values obtained were kMET, HO• = (1.42 ± 0.04) × 109 L mol−1 s−1, kMET,3CBBP* = (3.49 ± 0.87) × 108 L mol−1 s−1 and kMET, 1O2 = (3.36 ± 1.09) × 104 L mol−1 s−1, respectively. Kinetic mathematical simulations were used to predict the half-life and self-purification distance of MET in a river, considering phenomena as photodegradation, adsorption, biodegradation, geographical location, and water chemistry. The half-life of MET was estimated to be 82 h, with biodegradation making the largest contribution to the drop in MET concentration. The relative contribution of photochemical pathways to MET degradation in sunlit water will depend greatly on the irradiance conditions, water depth and the environmental characteristics of the water body, including the concentrations of organic matter, nitrate, nitrate and carbonate. Finally, the predicted risk coefficients, also based on QSAR models, confirmed that MET and its metabolite S-methyl-N-hydroxythioacetamidate pose a high risk to aquatic species.
[Display omitted]
•Reactivity with 3CDOM* and direct photolysis are the main photodegradation pathways.•Biodegradation drastically reduces the half-life of methomyl in river water.•Methomyl has a potential for bioconcentration but not for bioaccumulation.•Methomyl and its metabolite methomyl oxime pose a high risk to aquatic species.</abstract><pub>Elsevier Ltd</pub><doi>10.1016/j.jece.2024.112157</doi></addata></record> |
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title | Environmental fate of methomyl pesticide in river water: Kinetic study, mathematical simulations and risk assessment |
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