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An innovative mixture sampling strategy with uniform design: Application to global sensitivity analysis of mixture toxicity
Environment International ( IF 10.3 ) Pub Date : 2024-08-24 , DOI: 10.1016/j.envint.2024.108968
Ting-Ting Ding 1 , Ze-Jun Wang 2 , Meng-Ting Tao 3 , Zhong-Wei Gu 4 , Ru-Jun Chen 3 , Ya-Qian Xu 5 , Shu-Shen Liu 1
Affiliation  

Global sensitivity analysis combined with quantitative high-throughput screening (GSA-qHTS) uses random starting points of the trajectories in mixture design, which may lead to potential contingency and a lack of representativeness. Moreover, a scenario in which all factor levels were at stimulatory effects was not considered, thereby hindering a comprehensive understanding of GSA-qHTS. Accordingly, this study innovatively introduced an optimised experimental design, uniform design (UD), to generate non-random and representative sample points with smaller uniformity deviation as starting points of multiple trajectories. By combining UD with the previously optimised one-factor-at-a-time (OAT) method, a novel mixture design method was developed (UD-OAT). The single toxicity tests showed that three pyridinium and five imidazolium ionic liquids (ILs) exerted stimulatory effects on Vibrio qinghaiensis sp.-Q67; thus, four stimulatory effective concentrations of each IL were selected as factor levels. The UD-OAT generated 108 mixture samples with equal frequency and without repetition. High-throughput microplate toxicity analysis revealed that all 108 mixtures exhibited inhibitory effects. Among these, type B mixtures exhibited increasing toxicities that subsequently decreased, unlike type C mixtures, which consistently increased over time. GSA successfully identified three of the eight ILs as important factors influencing the toxicities of the mixtures. When individual ILs produced stimulatory effects, mixtures containing two to three ILs exhibited either stimulatory effects or none. In contrast, mixtures containing five to eight ILs exhibited inhibitory effects, while those containing four ILs showed a transition from stimulatory to inhibitory effects. This study provides a novel mixture design method for studying mixture toxicity and fills the application gap of GSA-qHTS. The phenomenon of individuals being beneficial while mixtures can be harmful challenges traditional mixture risk assessments.

中文翻译:


统一设计的创新混合物采样策略:在混合物毒性全局敏感性分析中的应用



全局敏感性分析结合定量高通量筛选(GSA-qHTS)在混合物设计中使用随机轨迹起点,这可能导致潜在的偶然性和缺乏代表性。此外,没有考虑所有因素水平都处于刺激作用的情况,从而阻碍了对 GSA-qHTS 的全面理解。据此,本研究创新性地引入了一种优化的实验设计——均匀设计(UD),生成均匀性偏差较小的非随机且具有代表性的样本点作为多条轨迹的起点。通过将 UD 与之前优化的一次单因素 (OAT) 方法相结合,开发了一种新颖的混料设计方法 (UD-OAT)。单一毒性试验表明,3种吡啶鎓离子液体和5种咪唑鎓离子液体(ILs)对青海弧菌Q67有刺激作用;因此,选择每种IL的四个刺激有效浓度作为因子水平。 UD-OAT 生成了 108 个频率相同、无重复的混合样本。高通量微孔板毒性分析表明,所有 108 种混合物均表现出抑制作用。其中,B 型混合物表现出逐渐增加的毒性,随后又降低,而 C 型混合物则随着时间的推移而不断增加。 GSA 成功地将八种离子液体中的三种确定为影响混合物毒性的重要因素。当单个 IL 产生刺激作用时,含有两到三种 IL 的混合物要么表现出刺激作用,要么不表现出刺激作用。相比之下,含有五到八种IL的混合物表现出抑制作用,而含有四种IL的混合物表现出从刺激作用到抑制作用的转变。 该研究为研究混合物毒性提供了一种新颖的混合物设计方法,填补了GSA-qHTS的应用空白。个体有益而混合物可能有害的现象对传统的混合物风险评估提出了挑战。
更新日期:2024-08-24
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