Ecotoxicological read-across models for predicting acute toxicity of freshly dispersed versus medium-aged NMs to Daphnia magna.
Ecotoxicological read-across models for predicting acute toxicity of freshly dispersed versus medium-aged NMs to Daphnia magna.
复制标题
生态毒理学跨模型，用于预测新鲜分散的 NM 与中龄 NM 对大型溞的急性毒性。
DOI：
10.1016/j.chemosphere.2021.131452
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发表时间：
2021
期刊：
影响因子：
8.8
通讯作者：
Varsou DD
中科院分区：
文献类型：
--
作者：
Varsou DD
预测纳米材料（NM）的毒性/生态毒性的纳米信息学模型是迫切需要的，以支持纳米技术的商业化，并允许基于其物理化学和/或（生态）毒理学特性的NM分组，以促进从数据丰富的NM到数据贫乏的NM的知识的交叉阅读。在这里，我们提出了第一个生态毒理学的跨读模型预测纳米材料的生态毒性，这是根据欧洲化学品管理局的建议的战略分组纳米材料作为一种手段，探索silicothe的影响，一个小组的新鲜分散与环境老化（在各种媒体）银和二氧化钛纳米材料对淡水动物的大型蚤，监管测试中使用的关键物种。用于开发模型的数据集由来自11个NM的剂量反应数据组成（5个具有不同涂层的相同核的TiO 2 NM，和6个具有不同封端剂/涂层的Ag NM），每个分散在三种不同介质中（高硬度介质（HH Combo）和含有不同量的天然有机物（NOM）并具有不同离子强度的两种代表性河水沃茨），根据OECD 202固定化试验生成。正在测试的实验假设是：（1）介质中NOM的存在将通过形成生态冠来降低NM的毒性，以及（2）与新鲜分散的NM相比，NM的环境老化降低了它们的毒性，而与介质组成无关（仅含盐或含NOM）。根据ECHA指南，将NM分为两类-新鲜分散和2年老化，并通过计算机进行探索，以确定驱动每组毒性的最重要特征。最终预测模型已根据OECD标准和补充信息中包含的QSAR模型报告表（QMRF）报告进行验证，以支持出于监管目的采用模型。
Nanoinformatics models to predict the toxicity/ecotoxicity of nanomaterials (NMs) are urgently needed to support commercialization of nanotechnologies and allow grouping of NMs based on their physico-chemical and/or (eco)toxicological properties, to facilitate read-across of knowledge from data-rich NMs to data-poor ones. Here we present the first ecotoxicological read-across models for predicting NMs ecotoxicity, which were developed in accordance with ECHA's recommended strategy for grouping of NMs as a means to explorein silicothe effects of a panel of freshly dispersed versus environmentally aged (in various media) Ag and TiO2NMs on the freshwater zooplanktonDaphnia magna, a keystone species used in regulatory testing. The dataset used to develop the models consisted of dose-response data from 11 NMs (5 TiO2NMs of identical cores with different coatings, and 6 Ag NMs with different capping agents/coatings) each dispersed in three different media (a high hardness medium (HH Combo) and two representative river waters containing different amounts of natural organic matter (NOM) and having different ionic strengths), generated in accordance with the OECD 202 immobilization test. The experimental hypotheses being tested were (1) that the presence of NOM in the medium would reduce the toxicity of the NMs by forming an ecological corona, and (2) that environmental ageing of NMs reduces their toxicity compared to the freshly dispersed NMs irrespective of the medium composition (salt only or NOM-containing). As per the ECHA guidance, the NMs were grouped into two categories - freshly dispersed and 2-year-aged and exploredin silicoto identify the most important features driving the toxicity in each group. The final predictive models have been validated according to the OECD criteria and a QSAR model report form (QMRF) report included in the supplementary information to support adoption of the models for regulatory purposes.