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穆云松等:Model for Predicting Toxicities of Metals and Metalloids in Coastal Marine Environments Worldwide.

发布时间:2018-03-14

ABSTRACT:

Metals can pose hazards to marine species and can adversely affect structures and functions of communities of marine species. However, little is known about how structural properties of metal atoms combined with current geographical and climatic conditions affect their toxic potencies. A mathematical model, based on quantitative structure−activity relationships and species sensitivity distributions (QSAR-SSD) was developed by use of acute toxicities of six metals (Cd, Cr, Cu, Hg, Ni, and Zn) to eight marine species and accessory envi0ronmental conditions. The model was then used to predict toxicities of 31 metals and metalloids and then to investigate relationships between acute water quality criteria (WQC) and environmental conditions in coastal marine environments. The model was also used to predict WQC in the coastal areas of different countries. Given global climate change, the QSAR-SSD model allows development of WQC for metals that will be protective of marine ecosystems under various conditions related to changes in global climate. This approach could be of enormous benefit in delivering an evidence-based approach to support regulatory decision making in management of metal and metalloids in marine waters.

KEYWORDS: Predictive model, Water quality criteria, Quantitative structure-activity relationships, Species sensitivity distributions, Temperature, Salinity

摘要:

金属可对海洋物种构成危害,并对海洋物种群落的结构和功能产生不利影响。然而,对于金属原子的结构特性,以及地理和气候条件如何综合影响其毒性作用,我们知之甚少。利用六种金属CdCrCuHgNiZn对八种海洋物种和相应环境条件的急性毒性效应终点数据,建立了基于定量结构-活性关系和物种敏感性分布QSAR-SSD的数学模型。利用该模型对31种金属和金属的毒性进行了预测,并研究了海洋环境中急性水质标准WQC与环境条件的定量相关关系。该模型还用于不同国家沿海地区的WQC预测。考虑到全球气候变化因素,QSAR-SSD模型发展了金属水质基准预测方法学,可在与全球气候变化有关的多种不同条件下更精准地保护海洋生态系统,对支撑海洋环境中金属和类金属的管理决策大有裨益。

关键词: 预测模型,水质基准,定量结构活性相关,物种敏感度分布,温度,盐度

原载于Environmental Science and Technology2019 Impact Factor = 7.864

原文链接:https://pubs.acs.org/doi/10.1021/acs.est.7b06654