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Dose-effect and structure-activity relationships of haloquinoline toxicity towards Vibrio fischeri
Environmental Science and Pollution Research Pub Date : 2021-09-16 , DOI: 10.1007/s11356-021-16388-8
Min Li 1, 2 , Yayao Wang 1 , Lu Ma 1 , Xingfu Yan 1, 2 , Qian Lei 1
Affiliation  

Many quinoline (QL) derivatives are present in the environment and pose potential threats to human health and ecological safety. The acute toxicity of 30 haloquinolines (HQs) was examined using the photobacterium Vibrio fischeri. IC50 values (inhibitory concentration for 50% luminescence elimination) were in the range 5.52 to >200 mg·L−1. The derivative 5-BrQL exhibited the highest toxicity, with 3-ClQL, 3-BrQL, 4-BrQL, 5-BrQL, 6-BrQL, and 6-IQL all having IC50 values below 10 mg·L−1. Comparative molecular field analysis modeling based on the steric and electrostatic field properties of the HQs was used to quantify the impact of halogen substituents on their toxicity. QL derivative rings with larger substituents at the 2/8-positions and less negative charge at the 4/5/6/8-positions were positively correlated with acute toxicity towards V. fischeri.



中文翻译:

卤代喹啉对费氏弧菌毒性的量效关系和构效关系

许多喹啉(QL)衍生物存在于环境中,对人类健康和生态安全构成潜在威胁。使用光细菌Vibrio fischeri检查了 30 种卤代喹啉 (HQ) 的急性毒性。IC 50值(50%发光消除的抑制浓度)在5.52至>200mg·L -1的范围内。衍生物5-BrQL的毒性最高,3-ClQL、3-BrQL、4-BrQL、5-BrQL、6-BrQL和6-IQL的IC 50值均低于10 mg·L -1. 基于 HQ 的空间和静电场特性的比较分子场分析模型用于量化卤素取代基对其毒性的影响。QL 衍生物环在 2/8 位具有较大的取代基,在 4/5/6/8 位具有较少的负电荷,与对费氏弧菌的急性毒性呈正相关。

更新日期:2021-09-16
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