Predicting criteria continuous concentrations of 34 metals or metalloids by use of quantitative ion character-activity relationships–species sensitivity distributions (QICAR–SSD) model

Temporal-spatial distributions and ecological risks of perfluoroalkyl acids (PFAAs) in the surface water from the fifth-largest freshwater lake in China (Lake Chaohu)

“…Based on the availability of the toxicity data, only two PFAA components, PFOA and PFOS, were selected. The chronic toxicity data (NOEC) of PFOA and PFOS to multiple aquatic species were collected from the database ECOTOX provided by the U.S. EPA (www.epa.gov/ecotox) (Table S2) (Kefford et al, 2011;Mu et al, 2014).…”

Predicting toxic potencies of metal oxide nanoparticles by means of nano-QSARs

“…Thus, QSAR or similar in silico predictive tools can be useful as theoretical constructs to facilitate better understanding of certain mechanisms of toxicity in order to enable grouping and "read-across" strategies Mu et al, 2014;Wu et al, 2010;Wu et al, 2013). Such strategies are needed as the multitude and variety of the MeONPs reaching the market make their case-by-case risk assessment very expensive both in terms of testing costs and sacrificed experimental animals (Winkler et al, 2013).…”

“…(Meng et al, 2009;Zhao et al, 2014). Some predictive models of nanoparticles uptake by cells and apoptosis were developed and a strategy for modeling was applied for various nanoparticles or modifications of their surfaces.…”

Derivation of marine water quality criteria for metals based on a novel QICAR-SSD model

“…As in previous studies (Wu et al 2013;Mu et al 2014), the following characteristics of metal ions establishing the QICAR model were considered: softness index, σp; the largest stability constant of complexes, lgβ n ; Pauling electronegativity, X m ; covalent index, X m 2 r; atomic ionization potential, AN/ΔIP; the first hydrolysis constant, |log K OH |; electrochemical potential, ΔE 0 ; atom size, AR/AW; relative softness of the ion, Z/rx (x is electronegativity); polarizable ability parameters, Z/r, Z/r 2 , and Z 2 /R; and the polarizable ability-like parameters, Z/AR and Z/AR 2 (Kaiser 1980;Lide and Haynes 2011;Pearson and Mawby 1967;Baes and Mesmer 1976;Wolterbeek and Verburg 2001).…”