Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation
Organophosphorus pesticides (OPs) are posing great threat to the environment and human health, due to their overuse and persistence in the environment. Photolysis has been established as an effective method to degrade OPs. The influence of pH value, the initial concentration of pesticides and the li...
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Elsevier
2021-11-01
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Series: | Ecotoxicology and Environmental Safety |
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Online Access: | http://www.sciencedirect.com/science/article/pii/S0147651321007673 |
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doaj-318cf2f9b6724bbe93b6597a568ebc74 |
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Article |
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DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Luning Lian Bo Jiang Yi Xing Nana Zhang |
spellingShingle |
Luning Lian Bo Jiang Yi Xing Nana Zhang Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation Ecotoxicology and Environmental Safety Organophosphorus pesticides (OPs) Photodegradation Kinetics Photodegradation products Density Functional Theory (DFT) |
author_facet |
Luning Lian Bo Jiang Yi Xing Nana Zhang |
author_sort |
Luning Lian |
title |
Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation |
title_short |
Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation |
title_full |
Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation |
title_fullStr |
Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation |
title_full_unstemmed |
Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation |
title_sort |
identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiation |
publisher |
Elsevier |
series |
Ecotoxicology and Environmental Safety |
issn |
0147-6513 |
publishDate |
2021-11-01 |
description |
Organophosphorus pesticides (OPs) are posing great threat to the environment and human health, due to their overuse and persistence in the environment. Photolysis has been established as an effective method to degrade OPs. The influence of pH value, the initial concentration of pesticides and the light source on the photolysis of two OPs, including chlorpyrifos and dimethoate, was investigated. The optimal reaction condition for OPs degradation was under pH 9, with xenon lamp as the light source, in which the photodegradation efficiencies of chlorpyrifos and dimethoate (500 mg/L) were 75.12% and 94.31%, respectively. The photodegradation products of chlorpyrifos and dimethoate were identified by GC-MS. Also, density functional theory (DFT) calculations were used to characterize the molecular properties of chlorpyrifos and dimethoate, as well as predicting potential photolysis reactions. Photodegradation mechanisms of chlorpyrifos and dimethoate were proposed, in which 3,5,6-trichloropyridinol (TCP), O,O-diethyl thiophosphate (DETP), 2,3,5-Trichloro-6-methoxypyridine (TMP) and O,O,S-trimethyl phosphorothioate were identified as the main products of chlorpyrifos degradation. Omethoate, O,O,S-trimethyl thiophosphorothioate, N-methyl-2-sulfanylacetamide, O,O,O-trimethyl thiophosphate, O,O,S-trimethylphosphorothiate, and O,O,O-trimethyl phosphoric ester as the main photodegradation products for dimethoate. The main degradation mechanisms included ring opening, cleavage, oxidation and demethylation. This work demonstrated the feasibility of combining chemical analysis with quantum chemical calculation in unraveling degradation mechanisms of OPs. Also, it is of great significance for evaluating the environmental fate of OPs in aquatic system and further environmental risk assessment. |
topic |
Organophosphorus pesticides (OPs) Photodegradation Kinetics Photodegradation products Density Functional Theory (DFT) |
url |
http://www.sciencedirect.com/science/article/pii/S0147651321007673 |
work_keys_str_mv |
AT luninglian identificationofphotodegradationproductoforganophosphoruspesticidesandelucidationoftransformationmechanismundersimulatedsunlightirradiation AT bojiang identificationofphotodegradationproductoforganophosphoruspesticidesandelucidationoftransformationmechanismundersimulatedsunlightirradiation AT yixing identificationofphotodegradationproductoforganophosphoruspesticidesandelucidationoftransformationmechanismundersimulatedsunlightirradiation AT nanazhang identificationofphotodegradationproductoforganophosphoruspesticidesandelucidationoftransformationmechanismundersimulatedsunlightirradiation |
_version_ |
1717814748925394944 |
spelling |
doaj-318cf2f9b6724bbe93b6597a568ebc742021-09-05T04:38:22ZengElsevierEcotoxicology and Environmental Safety0147-65132021-11-01224112655Identification of photodegradation product of organophosphorus pesticides and elucidation of transformation mechanism under simulated sunlight irradiationLuning Lian0Bo Jiang1Yi Xing2Nana Zhang3School of Energy and Environmental Engineering, University of Science & Technology Beijing, Beijing 100083, PR China; Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants, University of Science & Technology Beijing, Beijing 100083, PR China; National Environmental and Energy Science and Technology International Cooperation Base, University of Science & Technology Beijing, Beijing 100083, PR ChinaSchool of Energy and Environmental Engineering, University of Science & Technology Beijing, Beijing 100083, PR China; Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants, University of Science & Technology Beijing, Beijing 100083, PR China; National Environmental and Energy Science and Technology International Cooperation Base, University of Science & Technology Beijing, Beijing 100083, PR China; School of Environment, Tsinghua University, Beijing 100084, PR China; National Engineering Laboratory for Site Remediation Technologies, Beijing 100015, PR China; Corresponding authors at: School of Energy and Environmental Engineering, University of Science & Technology Beijing, Beijing 100083, PR China.School of Energy and Environmental Engineering, University of Science & Technology Beijing, Beijing 100083, PR China; Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants, University of Science & Technology Beijing, Beijing 100083, PR China; National Environmental and Energy Science and Technology International Cooperation Base, University of Science & Technology Beijing, Beijing 100083, PR China; Corresponding authors at: School of Energy and Environmental Engineering, University of Science & Technology Beijing, Beijing 100083, PR China.School of Energy and Environmental Engineering, University of Science & Technology Beijing, Beijing 100083, PR China; Beijing Key Laboratory of Resource-oriented Treatment of Industrial Pollutants, University of Science & Technology Beijing, Beijing 100083, PR China; National Environmental and Energy Science and Technology International Cooperation Base, University of Science & Technology Beijing, Beijing 100083, PR ChinaOrganophosphorus pesticides (OPs) are posing great threat to the environment and human health, due to their overuse and persistence in the environment. Photolysis has been established as an effective method to degrade OPs. The influence of pH value, the initial concentration of pesticides and the light source on the photolysis of two OPs, including chlorpyrifos and dimethoate, was investigated. The optimal reaction condition for OPs degradation was under pH 9, with xenon lamp as the light source, in which the photodegradation efficiencies of chlorpyrifos and dimethoate (500 mg/L) were 75.12% and 94.31%, respectively. The photodegradation products of chlorpyrifos and dimethoate were identified by GC-MS. Also, density functional theory (DFT) calculations were used to characterize the molecular properties of chlorpyrifos and dimethoate, as well as predicting potential photolysis reactions. Photodegradation mechanisms of chlorpyrifos and dimethoate were proposed, in which 3,5,6-trichloropyridinol (TCP), O,O-diethyl thiophosphate (DETP), 2,3,5-Trichloro-6-methoxypyridine (TMP) and O,O,S-trimethyl phosphorothioate were identified as the main products of chlorpyrifos degradation. Omethoate, O,O,S-trimethyl thiophosphorothioate, N-methyl-2-sulfanylacetamide, O,O,O-trimethyl thiophosphate, O,O,S-trimethylphosphorothiate, and O,O,O-trimethyl phosphoric ester as the main photodegradation products for dimethoate. The main degradation mechanisms included ring opening, cleavage, oxidation and demethylation. This work demonstrated the feasibility of combining chemical analysis with quantum chemical calculation in unraveling degradation mechanisms of OPs. Also, it is of great significance for evaluating the environmental fate of OPs in aquatic system and further environmental risk assessment.http://www.sciencedirect.com/science/article/pii/S0147651321007673Organophosphorus pesticides (OPs)PhotodegradationKineticsPhotodegradation productsDensity Functional Theory (DFT) |