Toxicological Evaluation and QSAR Modelling of Aromatic Amines to Chlorella vulgaris

Predicting toxicity of aromatic ternary mixtures to algae

“…For the purpose of comparison, the 15 min Chlorella vulgaris EC 50 values of substituted anilines [15] and the 96 h fathead minnow LC 50 values of substituted anilines and phenols [16] are also listed in Table 1. When the toxicity of substituted anilines on S. obliquus was compared with those from C. vulgaris, all the four chemicals tested exhibited higher toxicity on S. obliquus than on C. vulgaris.…”

“…Polar narcotic chemicals, typified by most substituted phenols and anilines, exhibit toxic potency higher than that estimated by their hydrophobicity due to the existence of polar substituents in the molecules [19] . The compilation of data sets of more diverse chemicals, acting with different mechanisms of toxic action, requires additional terms for successful QSAR modeling [15] .…”

“…(1) a) Abbr is an abbreviation of compound name; b) log(1/EC 50 ) for C. vulgaris from Netzeva et al [15] ; c) log(1/LC 50 ) for the fathead minnow from Netzeva et al [16] ; d) Observed log(1/EC 50 ) for S. obliquus; e) Predicted log(1/EC 50 ) calculated by eq. (4).…”

Quantitative Structure–Activity Relationships for Predicting the Joint Toxicity of Substituted Anilines and Phenols to Algae

“…The compounds exhibited a reasonably wide range of algal toxicity, and log1/EC 50 values ranged from 2.60 for aniline to 4.56 for a-naphthol. For the purpose of comparison, the 5-min bioluminescent bacterium Shk1 EC 50 values of phenolic compounds (Ren et al, 2003) and the 15-min Chlorella vulgaris EC 50 values of anilines (Netzeva et al, 2004) also are shown. When the toxicity of four anilines on S. obliquus was compared with those from C. vulgaris, all the chemicals tested exhibited higher toxicity on S. obliquus than on C. vulgaris.…”

Synthesis of Two Steroids Derivatives and its Relationship with some Physicochemical Parameters

“…Quantitative structure-activity relationship (QSAR) studies are very important in medicinal chemistry [1][2][3] . There are reports of QSAR studies on several steroid types [4][5][6] , for example the structure-activity analysis from a series of steroids binding to globulin was made using the electro topological state index for each atom in the molecule 7 .…”