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推断PBB的环境转变机制和副产品的毒性风险
Bohan Xu1, Qian Liu2,3, Weihan Cui1
1College of Resources and Environment, Jilin Agricultural University, Changchun 130118, China.
International journal of molecular sciences
|February 26, 2025
概括
聚乙 (PBBs) 和它们的替代品产生有毒的转化产品. 这项研究预测了致癌性和发育毒性等风险,有助于设计更安全的替代品.
科学领域:
- 环境化学和毒理学
- 计算毒理学计算毒理学
- 绿色化学 绿色化学
背景情况:
- 聚二 (PBBs) 是广泛使用的阻燃剂,具有显著的人类健康风险.
- 缺乏对 PBB 转化和毒性的系统研究,阻碍了污染控制.
- 环境持久性和PBB及其降解产物的生物影响需要全面评估.
研究的目的:
- 推断PBB及其替代品的转化途径.
- 评估PBB转化产品的生态毒性和哺乳动物毒性.
- 构建3D-QSAR模型,用于预测 PBBs,替代品及其衍生物对人类的毒性.
主要方法:
- 推断的转化途径包括光降解,微生物降解,燃烧氧化和体内代谢.
- 使用毒动力学 (TOPKAT) 模型来评估动物致癌性,毒性,变异性和水生毒性.
- 开发了3D-QSAR模型来预测人类健康风险,如致癌性,发育性,肝脏性,表观遗传性,神经性和免疫毒性.
主要成果:
- PBB转化产品具有重大风险,包括潜在的致癌性,致变性和发育毒性.
- 具体的高风险预测包括D3-A1 (致癌风险0.826),2.2'-OH-PBB-80 (发育毒性0.713) 和PBDF (皮肤刺激0.995).
- 燃烧氧化产品显示出高的生态和人类健康风险;转化产品的发育毒性是一个关键问题.
结论:
- 本研究全面评估了与PBB及其转化产品相关的环境和人类健康风险.
- 这些发现为设计环保的 PBB 替代品提供了至关重要的理论支持.
- 途径推断和毒性预测的综合方法为化学风险评估提供了一个强大的框架.
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