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基于证据权重的方法评估三氯生在水生生物体内的蓄积情况。

A weight-of-evidence approach for the bioaccumulation assessment of triclosan in aquatic species.

机构信息

ARC Arnot Research and Consulting Inc., 36 Sproat Avenue, Toronto, ON M4M 1W4, Canada; Department of Physical and Environmental Sciences, University of Toronto at Scarborough, 1265 Military Trail, Toronto, ON M1C1A4, Canada; Department of Pharmacology and Toxicology, University of Toronto, 1 King's College Circle, Toronto, ON M5S 1A8, Canada.

BASF SE, Carl-Bosch Str. 38, 67056 Ludwigshafen, Germany.

出版信息

Sci Total Environ. 2018 Mar 15;618:1506-1518. doi: 10.1016/j.scitotenv.2017.09.322. Epub 2017 Oct 10.

Abstract

The bioaccumulation assessment of chemicals is challenging because of various metrics and criteria, multiple lines of evidence and underlying uncertainty in the data. Measured in vivo laboratory and field bioaccumulation data are generally considered preferable; however, quantitative structure-activity relationships (QSARs), mass balance models and in vitro data can also be considered. This case study critically evaluates in vivo, in vitro and in silico data and provides new data for the bioaccumulation assessment of triclosan (TCS). The review focusses on measured fish bioconcentration factors (BCFs) because this is the most commonly used regulatory metric. Reported measured fish BCFs range from about 20 to 8700L/kg-ww spanning a range of possible bioaccumulation assessment outcomes, i.e. from "not bioaccumulative" to "very bioaccumulative". Estimated biotransformation rate constants for fish obtained from in vivo, in vitro and in silico methods show general consensus fostering confidence in the selection of plausible values to confront uncertainty in the measured fish BCF tests. Other measurements (lines of evidence) from various species are also collected and reviewed. The estimated biotransformation rate constants and selected chemical property data are used to parameterize bioaccumulation models for aquatic species. Collectively the available lines of evidence are presented using a weight of evidence approach for assessing the bioaccumulation of TCS in aquatic species. Acceptable quality measured data and model predictions for TCS BCFs and bioaccumulation factors are lower than 2000L/kg. Biomagnification factors are <1 (kg/kg). The general consistency in the acceptable quality data is largely explained by the relatively efficient rates of TCS biotransformation in a range of species including measurements of significant in vitro activity of phase II conjugation reactions. The review demonstrates the value of combining models and measurements and, when necessary, applying multiple lines of evidence for chemical assessment.

摘要

化学物质的生物积累评估具有挑战性,因为存在各种指标和标准、多种证据和数据中的潜在不确定性。体内实验室和野外生物积累数据通常被认为是首选的;然而,定量构效关系(QSARs)、质量平衡模型和体外数据也可以被考虑。本案例研究批判性地评估了体内、体外和计算数据,并为三氯生(TCS)的生物积累评估提供了新的数据。本综述重点关注已测量的鱼类生物浓缩系数(BCF),因为这是最常用的监管指标。报告的已测量鱼类 BCF 范围约为 20 至 8700L/kg-ww,涵盖了可能的生物积累评估结果的范围,即从“不易生物积累”到“非常易生物积累”。从体内、体外和计算方法获得的鱼类生物转化速率常数显示出普遍的一致性,增强了对选择合理值的信心,以应对已测量鱼类 BCF 测试中的不确定性。还收集和审查了来自各种物种的其他测量结果(证据)。估计的鱼类生物转化速率常数和选定的化学特性数据用于为水生物种的生物积累模型提供参数。通过证据权重方法,综合呈现了可用的各种证据,以评估 TCS 在水生物种中的生物积累情况。可接受的高质量测量数据和 TCS BCF 和生物积累因子的模型预测值低于 2000L/kg。生物放大因子<1(kg/kg)。在可接受的高质量数据中,普遍存在一致性,这在很大程度上解释了 TCS 在包括 II 期结合反应的显著体外活性测量在内的多种物种中的生物转化效率相对较高。本综述证明了结合模型和测量值的价值,并且在必要时,应用多种证据进行化学评估。

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