Helmholtz Centre for Environmental Research - UFZ, Permoserstr. 15, 04318, Leipzig, Germany.
RWTH Aachen University, Institute for Environmental Research, 52074, Aachen, Germany.
Sci Data. 2024 Jan 10;11(1):60. doi: 10.1038/s41597-023-02904-7.
Chemicals in the aquatic environment can be harmful to organisms and ecosystems. Knowledge on effect concentrations as well as on mechanisms and modes of interaction with biological molecules and signaling pathways is necessary to perform chemical risk assessment and identify toxic compounds. To this end, we developed criteria and a pipeline for harvesting and summarizing effect concentrations from the US ECOTOX database for the three aquatic species groups algae, crustaceans, and fish and researched the modes of action of more than 3,300 environmentally relevant chemicals in literature and databases. We provide a curated dataset ready to be used for risk assessment based on monitoring data and the first comprehensive collection and categorization of modes of action of environmental chemicals. Authorities, regulators, and scientists can use this data for the grouping of chemicals, the establishment of meaningful assessment groups, and the development of in vitro and in silico approaches for chemical testing and assessment.
水生环境中的化学物质可能对生物和生态系统有害。为了进行化学风险评估和识别有毒化合物，需要了解效应浓度以及与生物分子和信号通路相互作用的机制和模式。为此，我们开发了标准和流程，从美国 ECOTOX 数据库中提取和总结藻类、甲壳类动物和鱼类这三种水生生物群的效应浓度，并在文献和数据库中研究了 3300 多种与环境相关的化学物质的作用模式。我们提供了一个经过整理的数据集，可用于基于监测数据的风险评估，以及对环境化学物质作用模式的首次全面收集和分类。主管部门、监管机构和科学家可以使用这些数据对化学品进行分组，建立有意义的评估组，并开发用于化学测试和评估的体外和计算方法。
