氟芬那塞在小麦中的代谢物呈现反向分布和毒性升高:挑战pfas分类农药的传统风险评估。

IF 6.2 1区 农林科学 Q1 AGRICULTURE, MULTIDISCIPLINARY
Siyuan Dai, Xuan Xuan, Hui Chen, Dongmei Xu* and Yuezhong Wen*, 
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引用次数: 0

摘要

由于对氟化合物的关注日益增加,经济合作与发展组织(经合组织)已将许多含氟农药重新分类为单氟烷基物质和多氟烷基物质,但其代谢物在植物中的分布仍未得到探索。以氟芬塞为模型化合物,研究了小麦的代谢分布。我们发现了一个“反向分布”现象,母体化合物主要集中在根中(易位因子= 0.08),代谢物优先在茎中积累。茎部反应最高的3种代谢物M07、M10和M15的TF值分别为1.54、2.37和1.67。这种模式挑战了传统的基于亲脂性的运输理论,并增加了食物链暴露的风险。毒性评估显示,尽管急性毒性较低,但与母体化合物相比,这些代谢物表现出更高的肝毒性、致突变性和致癌性,其中M10具有更高的致癌潜力。分子对接显示与人蛋白结合,能量为-6.01 ~ -7.34 kcal/mol。研究结果建议修订风险评估框架,以纳入PFAS农药管理的代谢物分布和毒理学特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Flufenacet Metabolites in Wheat Show Reverse Distribution and Elevated Toxicity: Challenging Conventional Risk Assessment of PFAS-Classified Pesticides

Flufenacet Metabolites in Wheat Show Reverse Distribution and Elevated Toxicity: Challenging Conventional Risk Assessment of PFAS-Classified Pesticides

Amid increasing concerns over fluorinated compounds, the Organization for Economic Co-operation and Development (OECD) has reclassified numerous fluorinated pesticides as per- and polyfluoroalkyl substances (PFAS), yet their metabolite distribution in plants remains unexplored. Using flufenacet as a model compound, this study investigated the metabolic distribution in wheat. We discovered a “reverse distribution” phenomenon where the parent compound mainly concentrated in roots (translocation factor = 0.08), while metabolites preferentially accumulated in shoots. The three metabolites with the highest shoot responses, M07, M10, and M15, showed TF values of 1.54, 2.37, and 1.67, respectively. This pattern challenges traditional lipophilicity-based transport theories and increases food chain exposure risks. Toxicity assessment revealed that despite lower acute toxicity, these metabolites exhibited higher hepatotoxicity, mutagenicity, and carcinogenicity than the parent compound, with M10 showing higher carcinogenic potential. Molecular docking demonstrated binding to human proteins with energies of −6.01 to −7.34 kcal/mol. Findings suggest revising risk assessment frameworks to incorporate metabolite distribution and toxicological properties for PFAS pesticide management.

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来源期刊
Journal of Agricultural and Food Chemistry
Journal of Agricultural and Food Chemistry 农林科学-农业综合
CiteScore
9.90
自引率
8.20%
发文量
1375
审稿时长
2.3 months
期刊介绍: The Journal of Agricultural and Food Chemistry publishes high-quality, cutting edge original research representing complete studies and research advances dealing with the chemistry and biochemistry of agriculture and food. The Journal also encourages papers with chemistry and/or biochemistry as a major component combined with biological/sensory/nutritional/toxicological evaluation related to agriculture and/or food.
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