评估塑料相关化学品对水生生物的基线毒性:开发和验证目标塑料模型
Deedar Nabi1,2, Aaron J Beck1, Eric P Achterberg1
1GEOMAR Helmholtz Centre for Ocean Research Kiel Wischhofstr. 1-3, 24148 Kiel, Germany.
Journal of chemical information and modeling
|August 9, 2024
概括
一个新的目标塑料模型 (TPM) 估计了塑料中的有毒物质负担,类似于脂质模型. 这种方法有助于了解塑料污染中的化学毒性,并设计更好的采样和剂量方法.
科学领域:
- 环境化学环境化学
- 毒理学 毒理学 毒理学
- 聚合物科学 聚合物科学
背景情况:
- 塑料垃圾是一个主要的环境问题,作为有毒化学品的载体.
- 现有的化学毒性评估模型往往缺乏新出现的污染物和特定类型的塑料的数据.
研究的目的:
- 开发和验证目标塑料模型 (TPM) 以估计各种塑料中有机毒素的关键塑料负担.
- 评估不同类型的塑料 (PDMS,POM,PA,LDPE,PU) 与化学分离有关的仿生能力.
- 将TPM的预测性能与已建立的化学毒性模型进行比较.
主要方法:
- 通过将脂质-水分区系数替换为塑料-水分区系数,调整了目标脂质模型 (TLM) 框架.
- 计算了五种塑料类型的基线,低惰性和反应性毒素的关键塑料负担.
- 预测的中位数致命度 (LC50) 用TPM和与实验数据相比,鱼类暴露于基线毒性物质的预测值.
主要成果:
- TPM成功估计了各种有毒物质的关键塑料负担,其范围因化学反应性而异.
- 鱼类LC50值的TPM预测与实验数据 (RMSE:0.3110.538日志单位) 有很好的一致性,与TLM,ECOSAR和ASM可比.
- 对于不太惰性的化学物质,TPM的性能与既有模型相比,需要比传统方法更少的数据.
结论:
- 目标塑料模型 (TPM) 有效地估计了与环境塑料相相关的化学毒性.
- 由于PDMS,PA,POM,PE和PU的仿生性质,可以进行可靠的化学分离预测.
- TPM为被动采样,被动剂量和评估塑料相关毒素的风险提供了有价值的工具,特别是对于数据有限的新兴化学品.
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