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Predictive models on photolysis and photoinduced toxicity o persistent organic chemicals
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作者 Qing ZHANG 《Frontiers of Environmental Science & Engineering》 SCIE EI CAS CSCD 2013年第6期803-814,共12页
Photodegradation is a major abiotic transfor- mation pathway of toxic chemicals in the environment, which in some cases might lead to photoinduced toxicities. The data on photodegradation kinetics and photoinduced tox... Photodegradation is a major abiotic transfor- mation pathway of toxic chemicals in the environment, which in some cases might lead to photoinduced toxicities. The data on photodegradation kinetics and photoinduced toxicities of organic chemicals are essential for their risk assessment. However, the relevant data are only available for a limited number of chemicals, due to the difficulty and high cost of experimental determination. Quantitative structure-activity relationship (QSAR) models that relate photodegradation kinetics or photoinduced toxicity of organic chemicals with their physicochemical properties or molecular structural descriptors may enable simple and fast estimation of their photochemical behaviors. This paper reviews the QSAR models on photodegradation quantum yields and rate constants for toxic organic chemicals in different media including liquid phase, gaseous phase, surfaces of plant leaves, and QSAR models on photo- induced toxicity of organic chemicals to plants, bacteria, and aquatic invertebrates. Further prospects for QSAR model development on photodegradation kinetics and photoinduced toxicity of refractory organic chemicals are proposed. 展开更多
关键词 quantitative structure-activity relationship(QSAR) models PHOTODEGRADATION persistent organicpollutants environmental media MECHANISMS
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Endosulfan in the Chinese environment: monitoring and modeling
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作者 Hongliang JIA Liyan LIU +4 位作者 Yeqing SUN Daoji CAI Jianxin HU Nanqi REN Yifan LI 《Frontiers of Environmental Science & Engineering》 SCIE EI CAS CSCD 2012年第1期32-44,共13页
This paper reviews the usage and emissions of endosulfan, the newest member of the persistent organic pollutants (POPs), in China, and its fate and behavior in Chinese environment. Endosulfan usage in China has been... This paper reviews the usage and emissions of endosulfan, the newest member of the persistent organic pollutants (POPs), in China, and its fate and behavior in Chinese environment. Endosulfan usage in China has been estimated to be approximately 25700 t between 1994 and 2004. Concentrations of endosulfan in different environ- mental compartments in China, such as air, soil, water, and biota, but focusing at air and surface soil, have been summarized. Concentrations of total endosulfan in surface soil across China were ranged from below detection limit (BDL) to 19000 pg.g^-1 dry weight (dw), with geometric mean of 120pg.g^-1dw. The results indicated that endo- sulfan sulfate had highest concentration in Chinese soil, followed by r- and α-endosulfan. Air concentrations of endosulfan in China were ranged 0-340 pg.m3 for a- endosulfan and 0-121 pg. m--3 for β-endosulfan, with high concentrations occurred in the cotton production areas. Gridded usage inventories of endosulfan on a fine gridded system with a 1/4° longitude by 1/6° latitude resolution were compiled, from which, emission to air and residues in soil of endosulfan were calculated in each grid by using a modified simplified gridded pesticide emission and residue model (SGPERM), an integrated modeling system combining mathematical model, database management system, and geographic information system. Total emissions were around 10800 t from 1994 to 2004. Based on the emission and residue inventories, concentrations of α- and β- endosulfan in Chinese air and agricultural surface soil were also calculated for each grid cell, which are in general consistent with the published monitoring data. 展开更多
关键词 ENDOSULFAN MONITORING MODELING inventories persistent organic pollutants persistent organicpollutants (POPs)
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