title: A K(ow)-based QSAR model for predicting toxicity of halogenated benzenes to all algae regardless of species.
abstract: In this study, a total of 40 tests of the toxicity of 8 halogenated benzenes to five algal species were performed. The result demonstrated that the toxicity of halogenated benzenes to five algal species was directly related to the hydrophobicity of the chemicals and the lipid content of the algae. Based on the results, we developed a K(ow)-based quantitative structure-activity relationship (QSAR) model: log(1/EC₅₀) = 1.050 logK(ow) + 1.429 log(1/lipid)-3.224 with n = 40, r² = 0.946, S.E. = 0.211, F = 323.933 at p < 0.001. This model provides evidence that the toxicity of halogenated benzenes to these five algae tested is related to the slower transference into lipid. This model can potentially be generalized to other algal species and toxicants.
authors.affiliation: State Key Laboratory of Pollution Control and Resource Reuse, College of Environmental Science and Engineering, Tongji University, 200092 Shanghai, China.
authors.forename: Ming
authors.initials: M
authors.lastname: Zeng
authors.forename: Zhifen
authors.initials: Z
authors.lastname: Lin
authors.forename: Daqiang
authors.initials: D
authors.lastname: Yin
authors.forename: Yalei
authors.initials: Y
authors.lastname: Zhang
authors.forename: Deyang
authors.initials: D
authors.lastname: Kong
mesh_terms: D001555:Benzene Derivatives / Q000737:chemistry / Q000633:toxicity*; D058086:Microalgae / Q000187:drug effects*; D015394:Molecular Structure; D000442:Octanols / Q000032:analysis / Q000737:chemistry; D021281:Quantitative Structure-Activity Relationship; D012623:Seawater / Q000737:chemistry; D013045:Species Specificity; D014874:Water Pollutants, Chemical / Q000737:chemistry / Q000633:toxicity*
chemical_list: D001555:Benzene Derivatives; D000442:Octanols; D014874:Water Pollutants, Chemical