title: Directly Predicting Water Quality Criteria from Physicochemical Properties of Transition Metals.
abstract: Transition metals are a group of elements widespread in aquatic environments that can be hazardous when concentrations exceeding threshold values. Due to insufficient data, criteria maximum concentrations (CMCs) of only seven transition metals for protecting aquatic life have been recommended by the USEPA. Hence, it is deemed necessary to develop empirical models for predicting the threshold values of water quality criteria (WQC) for other transition metals for which insufficient information on toxic potency is available. The present study established quantitative relationships between recommended CMCs and physicochemical parameters of seven transition metals, then used the developed relationships to predict CMCs for other transition metals. Seven of 26 physicochemical parameters examined were significantly correlated with the recommended CMCs. Based on this, five of the seven parameters were selected to construct a linear free energy model for predicting CMCs. The most relevant parameters were identified through principle component analysis, and the one with the best correlation with the recommended CMCs was a combination of covalent radius, ionic radius and electron density. Predicted values were largely consistent with their toxic potency values. The present study provides an alternative approach to develop screening threshold level for metals which have insufficient information to use traditional methods.
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.|College of Water Sciences, Beijing Normal University, Beijing 100875, China.
authors.forename: Ying
authors.initials: Y
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Fengchang
authors.initials: F
authors.lastname: Wu
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Yunsong
authors.initials: Y
authors.lastname: Mu
authors.affiliation: School of Environment, Guangzhou Key Laboratory of Environmental Exposure and Health, and Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou 510632, China.
authors.forename: Eddy Y
authors.initials: EY
authors.lastname: Zeng
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Meng
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Xiaoli
authors.initials: X
authors.lastname: Zhao
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.|Department of Veterinary Biomedical Sciences, and Toxicology Centre, University of Saskatchewan, Saskatoon, SK, Canada.|Department of Zoology, and Center for Integrative Toxicology, Michigan State University, East Lansing, MI, USA.
authors.forename: John P
authors.initials: JP
authors.lastname: Giesy
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Chenglian
authors.initials: C
authors.lastname: Feng
authors.affiliation: College of Environment, Hohai University, Nanjing 210098, China.
authors.forename: Peifang
authors.initials: P
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Haiqing
authors.initials: H
authors.lastname: Liao
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.|College of Environment, Hohai University, Nanjing 210098, China.
authors.forename: Cheng
authors.initials: C
authors.lastname: Chen