首页> 外文期刊>Environmental Toxicology and Chemistry >Mechanistic quantitative structure-activity relationship model for the photoinduced toxicity of polycyclic aromatic hydrocarbons: II. an empirical model for the toxicity of 16 polycyclic aromatic hydrocarbons to the duckweed lemna gibba L. G-3
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Mechanistic quantitative structure-activity relationship model for the photoinduced toxicity of polycyclic aromatic hydrocarbons: II. an empirical model for the toxicity of 16 polycyclic aromatic hydrocarbons to the duckweed lemna gibba L. G-3

机译:多环芳烃光诱导毒性的机械定量构效关系模型:II。 G-3对16种多环芳烃对浮萍lemna gibba L的毒性的经验模型

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摘要

Photoinduced toxicity of polycyclic aromatic hydrocarbons (PAHs) occurs via photosensitization reactions (e.e., gen- eration of singlet-state oxygen) and by photomodification (photooxidation and/or photolysis) of the chemicals to more toxic species. The quantitative structure-activity relationship (QSAR) described in the companion paper predicted, in theory, that photosensitization And photomodification additively contribute to toxicity. To substantiate this QSAR modeling exercise it was necessary to show that Toxicity can be described by empirically derived parameters.
机译:多环芳烃(PAHs)的光诱导毒性是通过光敏化反应(例如单线态氧的产生)和将化学物质进行光变化(光氧化和/或光解)而产生的。随附论文中描述的定量构效关系(QSAR)从理论上预测,光敏化和光改性会加重毒性。为了证实此QSAR建模练习,必须证明可以通过经验得出的参数来描述毒性。

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