基于双的高性能和环保性的双的多重框架:设计,选和建议
Xiran Cui1, Yuanyuan Zhao2, Ning Hao1
1College of New Energy and Environment, Jilin University, Changchun 130012, China.
Journal of hazardous materials
|June 2, 2023
概括
这项研究设计了更安全的双 (BP) 替代品,优先考虑环境友好性而不是人类健康风险和功能性. 分析了生物降解途径和降解产品的风险,以告知减少BP暴露的监管策略.
科学领域:
- 环境化学环境化学
- 毒理学 毒理学 毒理学
- 计算化学的计算化学
背景情况:
- 双 (BPs) 在各种产品中广泛使用,引发了对环境和人类健康风险的担忧.
- 迫切需要对BP风险进行评估,并制定监管策略.
- 本研究重点是设计和评估更安全的BP替代品.
研究的目的:
- 设计和选高性能双替代品,以改善环境和人类健康状况.
- 预测和对BP及其替代品的关键评估指标进行排名.
- 模拟生物降解途径并评估降解产品的风险,以提供监管建议.
主要方法:
- 随机森林分类/回归模型被用于预测评估指标.
- 密度函数理论 (DFT) 用于模拟生物降解途径.
- 评估了降解产品对环境的风险.
主要成果:
- 环境友好性 (64.30%) 被确定为影响BP和替代品评估的最重要因素.
- 人类健康风险 (18.00%) 和功能性 (17.69%) 是次要因素.
- 阐明了生物降解途径和降解产品的相关风险.
结论:
- 环境友好是开发更安全的双替代品的主要考虑因素.
- DFT模拟提供了对生物降解和环境风险评估的见解.
- 这些发现支持对双替代品的监管策略的制定.
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