Department Environment & Health, VU University, Amsterdam, the Netherlands.
Biomolecular Analysis Group, VU University, Amsterdam, the Netherlands.
Water Res. 2020 Jan 1;168:115204. doi: 10.1016/j.watres.2019.115204. Epub 2019 Oct 16.
Effect-directed analysis (EDA) has shown its added value for the detection and identification of compounds with varying toxicological properties in water quality research. However, for routine toxicity assessment of multiple toxicological endpoints, current EDA is considered labor intensive and time consuming. To achieve faster EDA and identification, a high-throughput (HT) EDA platform, coupling a downscaled luminescent Ames and cell-based reporter gene assays with a high-resolution fraction collector and UPLC-QTOF MS, was developed. The applicability of the HT-EDA platform in the analysis of aquatic samples was demonstrated by analysis of extracts from WWTP influent, effluent and surface water. Downscaled assays allowed detection of mutagenicity and androgen, estrogen and glucocorticoid agonism following high-resolution fractionation in 228 fractions. From 8 masses tentatively identified through non-target analysis, 2 masses were further investigated and chemically and biologically confirmed as the mutagen 1,2,3-benzotriazole and the androgen androstenedione. The compatibility of the high-throughput EDA platform with analysis of water samples and the incorporation of mutagenic and endocrine disruption endpoints allow for future application in routine monitoring in drinking water quality control and improved identification of (emerging) mutagens and endocrine disruptors.
效应导向分析（EDA）已显示出其在水质研究中检测和识别具有不同毒理学性质的化合物方面的附加值。然而，对于多个毒理学终点的常规毒性评估，当前的 EDA 被认为是劳动密集型且耗时的。为了实现更快的 EDA 和鉴定，开发了一种高通量（HT）EDA 平台，该平台将缩尺发光的 Ames 和基于细胞的报告基因测定与高分辨率馏分收集器和 UPLC-QTOF MS 相结合。通过分析 WWTP 进水、出水和地表水的提取物，证明了 HT-EDA 平台在分析水生样品中的适用性。在 228 个馏分中进行高分辨率馏分后，缩尺测定法可以检测到致突变性和雄激素、雌激素和糖皮质激素激动剂。通过非靶向分析初步鉴定了 8 个质量，其中 2 个质量进一步通过化学和生物学方法确认为致突变剂 1,2,3-苯并三唑和雄激素雄烯二酮。高通量 EDA 平台与水样分析的兼容性以及致突变和内分泌干扰终点的纳入，使得该平台未来可应用于饮用水质量控制的常规监测，并提高对（新兴）致突变剂和内分泌干扰物的识别能力。
