QSARs for Predicting Cation Toxicity, Bioconcentration, Biosorption, and Binding

This chapter discusses quantitative structure-activity relationships (QSARs) for predicting cation toxicity, bioconcentration, biosorption, and binding strength. Several approaches were used to identify these QSARs. First, the test systems, test substances, QSARs, and statistical analyses of each QSAR were extracted from the references cited by Walker et al. (2003). These efforts produced 21 references associated with 97 QSARs for predicting cation toxicities (Table 5.1). These QSARs are discussed in more detail in chapter Sections 5.2,5.3, and 5.5. 

Second, Table 3 of Walker et al. (2003) was analyzed to determine the number of times a metal ion was used as a test substance to determine if there was a correlation between a specific physical property and the metal ion s toxicity. The analysis revealed that 46 metal ions were used as test substances and 23 of these metal ions were used as test substances at least 10 times. The Chemical Abstracts Service Registry Numbers (CASRNs) of the 46 metals were incorporated into a table along with the CASRNs of the 23 metal ions that were used as test substances at least 10 times (Table 5.2). 

Williams and Turner (1981) Williams et al. (1982) Mouse Williams et al. (1982) Drosophila Jacobson et al. (1983) Drosophila Turner et al. (1983) Mouse 

Roy et al. 2009 Sacan et al. 2009 Mendes et al. 2010 Su et al. 2010). Analysis of these studies produced 14 references associated with 183 QSARs for predicting cation bioconcentration potential, biosorption capacity, binding strength, and toxicity (Table 5.4). These QSARs are discussed in more detail in Sections 5.2, 5.3, 5.5, 5.6, and 5.7. The acronyms used in Chapter 5 and associated tables are defined in the Chapter 5 appendix. 

---