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首页> 外文期刊>Environmental toxicology and chemistry >Application of the Target Lipid Model to Assess Toxicity of Heterocyclic Aromatic Compounds to Aquatic Organisms
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Application of the Target Lipid Model to Assess Toxicity of Heterocyclic Aromatic Compounds to Aquatic Organisms

机译：靶脂质模型在水生生物中评估杂环芳族化合物的毒性

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Heterocyclic aromatic compounds can be found in crude oil and coal and often co-exist in environmental samples with their homocyclic aromatic counterparts. The target lipid model (TLM) is a modeling framework that relates aquatic toxicity to the octanol-water partition coefficient (K-OW) that has been calibrated and validated for hydrocarbons. A systematic analysis of the applicability of the TLM to heterocyclic aromatic compounds has not been performed. The objective of the present study was to compile reliable toxicity data for heterocycles and determine whether observed toxicity could be successfully described by the TLM. Results indicated that the TLM could be applied to this compound class by adopting an empirically derived coefficient that accounts for partitioning between water and lipid. This coefficient was larger than previously reported for aromatic hydrocarbons, indicating that these heterocyclic compounds exhibit higher affinity to target lipid and toxicity. A mechanistic evaluation confirmed that the hydrogen bonding accepting moieties of the heteroatoms helped explain differences in partitioning behavior. Given the TLM chemical class coefficient reported in the present study, heterocyclic aromatics can now be explicitly incorporated in TLM-based risk assessments of petroleum substances, other products, or environmental media containing these compounds. Environ Toxicol Chem 2021;00:1-10. (c) 2021 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
机译：杂环芳族化合物可以在原油和煤中发现，并且通常在环境样品中与其同种糖芳族对应物共存。目标脂质模型（TLM）是一种建模框架，其将水生毒性与已经校准并验证的碳氢化合物 - 水分配系数（K-OW）相关并验证的碳氢化合物。尚未进行对TLM对杂环芳族化合物的适用性的系统分析。本研究的目的是编制杂环的可靠毒性数据，并确定TLM可以成功描述观察到的毒性。结果表明，通过采用经验衍生的系数来应用估计水和脂质之间分配的凭证衍生的系数来应用TLM。这种系数大于以前报道的芳烃，表明这些杂环化合物对靶向脂质和毒性具有更高的亲和力。机械评估证实，接受杂原子的氢键接受部分有助于解释分配行为的差异。鉴于本研究报告的TLM化学类系数，现在可以明确地将杂环芳烃在基于TLM的石油物质，其他产品或含有这些化合物的环境培养基中的风险评估中。环境毒素化学2021; 00：1-10。 （c）2021作者。 Wiley期刊LLC代表Setac出版的环境毒理学和化学。

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