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Theoretical Study on the Photodegradation Mechanism of pyrethroid Insecticide Fenvalerate in Water

Chinese Journal of Structural Chemistry 2012年第4期31卷 505-512页

作者：徐香李先国孙书文褚嘉杰 Key Laboratory of Marine Chemistry Theory and Technology Ministry of EducationOcean University of China College of Chemistry and Pharmaceutical Sciences Qingdao Agricultural University

The photodegradation mechanism of fenvalerate in water has been investigated by density functional theory（DFT）.The geometries of reactants,transition states,intermediates and products are optimized at the B3LYP/6-31G＊ *** calculated results indicate that the reaction process mainly includes the nucleophilic attack and the substitution reaction by hydroxyl radical to the carbonyl *** vibrational frequency analysis and intrinsic reaction coordinate（IRC） method,the transition state and its reaction pathway are ***,the changes of natural population analysis（NPA）,calculated using the Natural bond orbital（NBO） method,are analyzed along with the degradation reaction which can explain the variation of chemical ***,the solvent effect is also investigated and the results show that the reaction preferably takes place in water.

关键词： pyrethroid insecticides photodegradation density functional theory infrared spectra natural bond orbital analysis

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Influence of Copper on Transport and Dissipation of Lambda-Cyhalothrin and Cypermethrin in Soils

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Pedosphere 2013年第3期23卷 395-401页

作者： LIU Jun L Xiao-Meng XIE Ji-Min LI Ping-Ping HAN Jian-Gang SUN Cheng School of the Environment Jiangsu University State Key Laboratory of Soil and Sustainable Agriculture Institute of Soil Science Chinese Academy of Sciences School of Chemistry and Chemical Engineering Jiangsu University Jiangsu Provincial Key Laboratory of Modern Agricultural Equipment and Technology Institute of Agricultural Engineering Jiangsu University State Key Lab of Pollution Control and Resource Reuse Nanjing University

Repeated applications of bordeaux mixture （a blend of copper sulfate and calcium hydroxide） and pyrethroid insecticides （Pys） have led to elevated copper （Cu） and Pys concentrations in vineyard surface soils. To understand the potential influence of Cu on the fate of Pys in the soil environment, we selected two Pys, cypermethrin （CPM） and lambda-cyhalothrin （A-CHT）, and two typical Chinese vineyard soils, Haplic Acrisol and Luvic Phaeozem, as experimental samples. The dissipation experiment was conducted at room temperature in the dark, and the transport of both Pys through the soils was investigated using soil thin-layer chromatography. The results showed that the transport of Pys in both soils increased as the Cu2＋ concentration increased from 0 to 100 mg L-1, and Pys were more transportable in Haplic Acrisol （HA） than in Luvic Phaeozem （LP） under the same experimental conditions. For CPM, only 100 mg L-1 of Cu2＋ significantly （P 〈 0.05） increased Pys transport through both soils relative to water. Lambda-CHT was significantly （P〈0.05） transported through HA by all the Cu2＋ concentrations compared to water, and all but the 1 mg L-1 of Cu2＋ significantly （P 〈 0.05） increased the transport of A-CHT through LP relative to water. However, the dissipation rates of CPM and λ-CHT decreased with the addition of Cu to soils. Our findings suggest that the risk of groundwater contamination by Pys increases in the soils with elevated Cu concentrations.

关键词： Haplic Acrisol Luvic Phaeozem potential ecological risk pyrethroid insecticides soil thin-layer chromatography

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Synthesis of novel chiral stationary phases for high-performance liquid chromatography

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Chinese Chemical Letters 2007年第4期18卷 461-464页

作者： Xu Lin Tan Shi Cong Hou Qing Hua Bian Min Wang College of Science China Agricultural University Beijing 100094 China

Three novel chiral selectors 4a-c were synthesized from （S）-amino acids and （R）-1-phenyl-2-（4-methylphenyl）ethylamine. 4a-c were connected to 3-aminopropylsilanized silica gel to be used as the chiral stationary phase for HPLC. Five amino acid derivatives and two pyrethroid insecticides were fairly resolved on these three new chiral stationary phases under normal phase condition.

关键词： Enantioseparation Chiral stationary phase Amino acid derivatives pyrethroid insecticides

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