您好，欢迎访问浙江省农业科学院 机构知识库！
浙江省农业科学院机构知识库

全部

  • 全部
  • 标题
  • 学者
  • 机构
  • 关键词

Enantioselective toxicity and mechanism of chiral fungicide penflufen based on experiments and computational chemistry

文献类型： 外文期刊

作者： Di, Shanshan 1 ; Wang, Zhiwei 1 ; Cang, Tao 1 ; Xie, Yunye 3 ; Zhao, Huiyu 1 ; Qi, Peipei 1 ; Wang, Xiangyun 1 ; Xu, Hao; 1 ;

作者机构： 1.Zhejiang Acad Agr Sci, State Key Lab Managing Biot & Chem Threats Qual &, Key Lab Detect Pesticide Residues & Control Zheji, Inst Agroprod Safety & Nutr, Hangzhou 310021, Peoples R China

2.Agr Minist, Key Lab Pesticide Residue Detect, Hangzhou 310021, Peoples R China

3.Zhejiang Acad Agr Sci, Inst Plant Protect & Microbiol, Hangzhou 310021, Peoples R China

关键词： Penflufen enantiomers; Absolute configuration; Enantioselective toxicity; Computational chemistry; Enantioselective mechanism

期刊名称：ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY （ 影响因子：6.291； 五年影响因子：6.393 ）

ISSN： 0147-6513

年卷期： 2021 年 222 卷

页码：

收录情况： SCI

摘要： Penflufen fungicide is widely used as a racemate, which has potential ecological risks to aquatic organisms, while its enantioselective toxicity data is limited. This study aimed to differentiate the enantioselective toxicity difference of penflufen enantiomers, and illuminate the enantioselective mechanism from the insight of enantiomerprotein specific binding. The semipreparative separation and absolute configuration of penflufen enantiomers were conducted. The acute toxicity of S-(+)-penflufen was 54 times higher than R-(-)-penflufen to Danio rerio, and the coexistence of R-(-)-penflufen could increase the exposure risk of S-(+)-penflufen. For chronic toxicity, after low-dose long-term exposure, rac-penflufen and S-(+)-penflufen inducted more serious oxidative stress than R-(-)-penflufen in D. rerio, and inhibited the succinate dehydrogenase (SDH) activity significantly. For target phytopathogen, the toxicity difference of S-(+)-penflufen and R-(-)-penflufen was up to 148 times for Rhizoctonia solani. Based on the toxic unit analysis, the toxic interactions of antagonistic effect and concentration addition were found between penflufen enantiomers, indicating the coexistence of R-(-)-penflufen could increase overuse and environmental risks. Computational chemistry was used to illuminate the enantioselectivity mechanism, and the lower binding energy between the active site of SDH and S-(+)-penflufen contributed to the higher toxicity. The higher target toxicity might be due to the hydrophobic pocket of CybL in R. solani was more benefited to S(+)-penflufen binding SDH than Botrytis cinerea. These results could be helpful for further understanding the potential risk of chiral penflufen in the environment, demonstrating the importance of understanding the enantioselective difference of chiral pesticides, and providing a new insight for analyzing the enantioselective mechanism.

  • 相关文献
作者其他论文 更多>>
置顶
购物车
反馈

© 京ICP备09089781号-29 主办单位：浙江省农业科学院

学术资源： 中国农业科学院 农业专业知识服务系统 农科联盟资源共建共享平台 中国农业科技文献与信息服务平台 中国农业期刊集成服务平台