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首页> 美国卫生研究院文献>Environmental Health Perspectives >Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection by-products.
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Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection by-products.

机译：基于机制的结构-活性关系分析在饮用水消毒副产物致癌潜力分级中的应用。

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Disinfection by-products (DBPs) are formed when disinfectants such as chlorine, chloramine, and ozone react with organic and inorganic matter in water. The observations that some DBPs such as trihalomethanes (THMs), di-/trichloroacetic acids, and 3-chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone (MX) are carcinogenic in animal studies have raised public concern over the possible adverse health effects of DBPs. To date, several hundred DBPs have been identified. To prioritize research efforts, an in-depth, mechanism-based structure-activity relationship analysis, supplemented by extensive literature search for genotoxicity and other data, was conducted for ranking the carcinogenic potential of DBPs that met the following criteria: a) detected in actual drinking water samples, b) have insufficient cancer bioassay data for risk assessment, and c) have structural features/alerts or short-term predictive assays indicative of carcinogenic potential. A semiquantitative concern rating scale of low, marginal, low-moderate, moderate, high-moderate, and high was used along with delineation of scientific rationale. Of the 209 DBPs analyzed, 20 were of priority concern with a moderate or high-moderate rating. Of these, four were structural analogs of MX and five were haloalkanes that presumably will be controlled by existing and future THM regulations. The other eleven DBPs, which included halonitriles (6), haloketones (2), haloaldehyde (1), halonitroalkane (1), and dialdehyde (1), are suitable priority candidates for future carcinogenicity testing and/or mechanistic studies.
机译：当消毒剂（例如氯，氯胺和臭氧）与水中的有机物和无机物反应时，会形成消毒副产物（DBP）。在动物研究中，某些DBP（例如三卤甲烷（THM），二-/三氯乙酸和3-氯-4-（二氯甲基）-5-羟基-2（5H）-呋喃酮（MX））具有致癌性的发现引起了公众的关注。担心DBP对健康的不利影响。迄今为止，已经确定了数百个DBP。为了优先研究工作，进行了深入的，基于机制的结构-活性关系分析，并辅以大量的文献研究以寻找遗传毒性和其他数据，以对满足以下标准的DBP的致癌潜力进行排名：a）实际检测到的饮用水样品，b）没有足够的癌症生物测定数据进行风险评估，c）具有结构特征/警报或表明可能致癌的短期预测测定。使用了低，边际，低中，中，高，中和高的半定量关注等级量表，并划定了科学依据。在分析的209个DBP中，有20个是中度或中度等级的优先事项。其中，四个是MX的结构类似物，五个是卤代烷烃，可能会受到现有和未来THM法规的控制。其他11种DBP，包括卤代腈（6），卤代酮（2），卤代醛（1），卤代硝基烷（1）和二醛（1），是未来致癌性测试和/或机理研究的合适优先对象。

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