Liu Tong, Yan Saihong, Sun Wei, You Xiangwei, Zheng Lei, Wang Xiuguo
Tobacco Research Institute of Chinese Academy of Agricultural Sciences (CAAS), Qingdao 266101, China.
Key Laboratory of Drinking Water Science and Technology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085, China.
Environ Int. 2024 Dec;194:109159. doi: 10.1016/j.envint.2024.109159. Epub 2024 Nov 20.
Chiral succinate dehydrogenase inhibitor (SDHI) fungicides are widely used in agricultural production, but there is insufficient research on their environmental risk in water-sediment ecosystems. Here, the stereoselective fate and toxic effects of the chiral SDHI fungicide, penflufen, in the water-sediment system were investigated. The results showed that S-penflufen is more persistent in water, sediment, and zebrafish. Additionally, the sorption coefficient (Koc) in sediment and uptake rate constant (Ku) in zebrafish of S-penflufen were higher than those of R-penflufen. The acute toxicity of S-penflufen to zebrafish, Daphnia magna and Chironomus kiiensis were 32-, 6.1-, and 8.9-fold higher than those of R-penflufen. The AlphaFold2 and molecular docking results showed that S-penflufen had stronger binding capability with SDH in the three water-sediment organisms than R-penflufen. Therefore, S-penflufen induced stronger sub-chronic toxic effects on zebrafish than R-penflufen, even at 0.05 mg/L. The results of multi-omics analysis showed that S-penflufen affected the tricarboxylic acid cycle in zebrafish and induced antioxidant, detoxification, and immune system responses, ultimately affecting zebrafish metabolic processes and cellular function. The overall results indicate that S-penflufen has a higher risk in water-sediment systems. Moreover, combining multi-omics and AlphaFold2 techniques facilitates the elucidation of the molecular mechanism of the stereoselective toxic effects of chiral pesticides.
手性琥珀酸脱氢酶抑制剂（SDHI）类杀菌剂在农业生产中广泛使用，但对其在水-沉积物生态系统中的环境风险研究不足。在此，研究了手性SDHI类杀菌剂戊苯吡菌胺在水-沉积物系统中的立体选择性归趋和毒性效应。结果表明，S-戊苯吡菌胺在水、沉积物和斑马鱼中更具持久性。此外，S-戊苯吡菌胺在沉积物中的吸附系数（Koc）和在斑马鱼中的摄取速率常数（Ku）均高于R-戊苯吡菌胺。S-戊苯吡菌胺对斑马鱼、大型溞和日本摇蚊的急性毒性分别比R-戊苯吡菌胺高32倍、6.1倍和8.9倍。AlphaFold2和分子对接结果表明，在三种水-沉积物生物中，S-戊苯吡菌胺与琥珀酸脱氢酶（SDH）的结合能力比R-戊苯吡菌胺更强。因此，即使在0.05 mg/L的浓度下，S-戊苯吡菌胺对斑马鱼诱导的亚慢性毒性效应也比R-戊苯吡菌胺更强。多组学分析结果表明，S-戊苯吡菌胺影响斑马鱼的三羧酸循环，并诱导抗氧化、解毒和免疫系统反应，最终影响斑马鱼的代谢过程和细胞功能。总体结果表明，S-戊苯吡菌胺在水-沉积物系统中具有更高的风险。此外，结合多组学和AlphaFold2技术有助于阐明手性农药立体选择性毒性效应的分子机制。
