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A Framework for Evaluating the Contribution of Transformation Products to Chemical Persistence in the Environmen

机译：评估转化产品对环境中化学持久性的贡献的框架

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摘要

The REACH legislation of the Ell requires that transformation products be included in chemicals assessment for chemicals produced or imported in amounts exceeding 100 tonnes/year. However, including transformation products in assessments could be considered an intractable problem, particularly given the paucity of available data and the difficulty of predicting the most likely transformation route from the many possible products of a complex parent chemical (the so-called "combinatorial explosion" problem). Here, we present a scheme for identifying transformation products that substantially contribute to the joint persistence of a parent chemical and its substance family. Our scheme integrates methods for the prediction of biodegradation products, the estimation of physicochemical properties and degradation half-lives, and the calculation of a persistence metric, the joint persistence. We compare results from our scheme to 22 test cases with known transformation products. Our results highlight that the "combinatorial explosion" problem can be managed but that there is a serious need for better data for environmental half-lives of chemicals.
机译：Ell的REACH法规要求将转化产品纳入生产或进口量超过100吨/年的化学品的化学品评估中。但是，将转化产物包括在评估中可能被认为是一个棘手的问题，特别是考虑到可用数据的匮乏以及难以从复杂母体化学品的许多可能产物中预测最可能的转化途径的情况（所谓的“组合爆炸”问题）。在这里，我们提出了一种识别转化产物的方案，该转化产物对母体化学品及其物质家族的共同持久性有重大贡献。我们的方案集成了预测生物降解产物，估算理化性质和降解半衰期以及计算持久性指标（联合持久性）的方法。我们将方案的结果与已知转换产品的22个测试用例进行比较。我们的结果表明，可以解决“组合爆炸”问题，但是迫切需要针对化学品的环境半衰期提供更好的数据。

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  • 来源
    《Environmental Science & Technology》 |2011年第1期|p.111-117|共7页
  • 作者

    CARLA A. NG; MARTIN S C H ERING E R; KATHRIN FENNER; KONRAD HUNGERBUHLER;

  • 作者单位

    Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerl;

    Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerl;

    Eawag, Swiss Federal Institute for Aquatic Science and Technology, 8600 Diibendorf, Switzerland,Institute of Biogeochemistry and Pollution Dynamics (IBP), ETH Zurich, 8092 Zurich, Switzerland;

    Institute for Chemical and Bioengineering, ETH Zurich, 8093 Zurich, Switzerl;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);美国《化学文摘》(CA);
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  • 正文语种 eng
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