一种新的混合样本采集策略,将拉丁式超立方样本采集与优化一次因素方法相结合:关于抗生素和农药混合物的案例研究
Ting-Ting Ding1, Shu-Shen Liu2, Ze-Jun Wang3
1Key Laboratory of Yangtze River Water Environment, Ministry of Education, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China; State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, PR China.
一种新的方法,Latin Hypercube Sampling-One Factor At A Time (LHS-OAT),可以改善混合物毒性分析. 它准确地识别环境样本中的关键有毒成分,如抗生素和农药,以更好地评估风险.
科学领域:
- 环境化学环境化学
- 毒理学 毒理学 毒理学
- 计算化学是一种计算化学.
背景情况:
- 量化高通量选和全球敏感性分析用于识别混合物中的有毒成分.
- 目前用于混合设计的方法有局限性,包括不平等的采样频率,重复混合,以及排除偶数因子水平.
研究的目的:
- 开发一种改进的方法来设计用于毒性分析的化学混合物.
- 解决现有混合物设计技术的局限性,确保采样频率相同,并适应所有因素水平.
主要方法:
- 拉丁式超立方采样 (LHS) 用于生成初始轨迹点,确保相同频率采样和不重复的混合物.
- 一个修改后的一次因素 (OAT) 方法被开发出来,可以处理奇数和偶数的因素水平,称为LHS-OAT.
- 使用LHS-OAT设计了110种6种抗生素和4种农药的独特混合物.
主要成果:
- 确定了四个特定因素 - - 氧基胺 (A5),四环素 (A6),二化物 (P1) 和demeton-S (P3) - - 作为混合物毒性的重要贡献者.
- 在Shaying河流盆地,罗西胺 (A5) 和二 (P1) 的风险系数大于或等于1.
- 开发了一种毒性偏差比,以调整相互作用混合物的风险系数,提高风险评估的准确性.
结论:
- LHS-OAT方法为设计化学混合物用于毒性研究提供了合理和有效的方法.
- 该方法准确地识别了导致复杂混合物毒性的关键因素.
- 开发的毒性偏差比提高了对环境污染物相互作用的风险评估的准确性.
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