State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People's Republic of China.
PLoS One. 2013 Oct 25;8(10):e73883. doi: 10.1371/journal.pone.0073883. eCollection 2013.
Some synthetic chemicals, which have been shown to disrupt thyroid hormone (TH) function, have been detected in surface waters and people have the potential to be exposed through water-drinking. Here, the presence of thyroid-active chemicals and their toxic potential in drinking water sources in Yangtze River Delta were investigated by use of instrumental analysis combined with cell-based reporter gene assay. A novel approach was developed to use Monte Carlo simulation, for evaluation of the potential risks of measured concentrations of TH agonists and antagonists and to determine the major contributors to observed thyroid receptor (TR) antagonist potency. None of the extracts exhibited TR agonist potency, while 12 of 14 water samples exhibited TR antagonistic potency. The most probable observed antagonist equivalents ranged from 1.4 to 5.6 µg di-n-butyl phthalate (DNBP)/L, which posed potential risk in water sources. Based on Monte Carlo simulation related mass balance analysis, DNBP accounted for 64.4% for the entire observed antagonist toxic unit in water sources, while diisobutyl phthalate (DIBP), di-n-octyl phthalate (DNOP) and di-2-ethylhexyl phthalate (DEHP) also contributed. The most probable observed equivalent and most probable relative potency (REP) derived from Monte Carlo simulation is useful for potency comparison and responsible chemicals screening.
一些已被证明会干扰甲状腺激素 (TH) 功能的合成化学品已在地表水中被检测到，人们有可能通过饮水接触到这些化学品。在这里，我们使用仪器分析结合基于细胞的报告基因检测方法，研究了长江三角洲饮用水源中具有甲状腺活性的化学物质及其潜在毒性。我们开发了一种新方法，利用蒙特卡罗模拟来评估测量浓度的 TH 激动剂和拮抗剂的潜在风险，并确定观察到的甲状腺受体 (TR) 拮抗剂效力的主要贡献者。没有提取物表现出 TR 激动剂活性，而 14 个水样中有 12 个表现出 TR 拮抗活性。最可能观察到的拮抗剂当量范围为 1.4 至 5.6 µg 邻苯二甲酸二丁酯 (DNBP)/L，这对水源构成潜在风险。基于与蒙特卡罗模拟相关的质量平衡分析，DNBP 占水源中整个观察到的拮抗剂毒性单位的 64.4%，而邻苯二甲酸二异丁酯 (DIBP)、邻苯二甲酸二正辛酯 (DNOP) 和邻苯二甲酸二 (2-乙基己基) 酯 (DEHP) 也有贡献。蒙特卡罗模拟得出的最可能观察到的当量和最可能相对效力 (REP) 可用于效力比较和责任化学品筛选。
