State Key Laboratory of Pollution Control and Resource Reuse, Tongji University, Shanghai, China.
J Hazard Mater. 2010 May 15;177(1-3):414-9. doi: 10.1016/j.jhazmat.2009.11.152. Epub 2009 Dec 16.
The gaps of data for evaluating toxicity of new or overloaded organic chemicals on activated sludge system resulted in the requirements for methodology of toxicity estimation. In this study, 24 aromatic chemicals typically existed in the industrial wastewater were selected and classified into three groups of benzenes, phenols and anilines. Their toxicity on activated sludge was then investigated. Two indexes of IC(50-M) and IC(50-S) were determined respectively from the respiration rates of activated sludge with different toxicant concentration at mid-term (24h) and short-term (30min) time intervals. Experimental results showed that the group of benzenes was the most toxic, followed by the groups of phenols and anilines. The values of IC(50-M) of the tested chemicals were higher than those of IC(50-S). In addition, quantitative structure-activity relationships (QSARs) models developed from IC(50-M) were more stable and accurate than those of IC(50-S). The multiple linear models based on molecular descriptors and K(ow) presented better reliability than single linear models based on K(ow). Among these molecular descriptors, E(lumo) was the most important impact factor for evaluation of mid-term toxicity.
评估新型或超负载有机化学品对活性污泥系统毒性的数据缺口导致了毒性估算方法的需求。在本研究中,选择了 24 种通常存在于工业废水中的芳香族化学品,并将其分为苯、酚和苯胺三组。然后研究了它们对活性污泥的毒性。从中期(24 小时)和短期(30 分钟)时间间隔的不同毒性浓度的活性污泥呼吸率中分别确定了两个指标 IC(50-M)和 IC(50-S)。实验结果表明,苯组的毒性最大,其次是酚组和苯胺组。测试化学品的 IC(50-M)值高于 IC(50-S)值。此外,基于 IC(50-M)开发的定量构效关系(QSAR)模型比基于 IC(50-S)的模型更稳定和准确。基于分子描述符和 Kow 的多元线性模型比基于 Kow 的单一线性模型具有更好的可靠性。在这些分子描述符中,E(lumo)是评估中期毒性的最重要影响因素。