A perspective on the role of fugacity and activity for evaluating the PBT properties of organic chemicals and providing a multi-media synoptic indicator of environmental contamination.,Environmental Science: Processes & Impacts

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A perspective on the role of fugacity and activity for evaluating the PBT properties of organic chemicals and providing a multi-media synoptic indicator of environmental contamination.
Environmental Science: Processes & Impacts ( IF 4.3 ) Pub Date : 2020-01-20 , DOI: 10.1039/c9em00496c
Donald Mackay ₁ , Alena K D Celsie , J Mark Parnis , Jon A Arnot

Affiliation

The hazard and risk from organic chemicals present in the environment are routinely evaluated using P (persistence), B (bioaccumulation) and T (toxicity) criteria. We present a perspective on how models based on the equilibrium criteria of fugacity and chemical activity can contribute to all three evaluations, thus providing a consistent and seamless assessment process. Persistence and its closely related, but fundamentally different property, chemical residence time can be determined from degradation half-lives (typically obtained from monitoring data) and multi-media mass balance models describing chemical fate and transport in real or evaluative environments. Bioaccumulation is driven by equilibrium partitioning processes that can be estimated from fugacity models treating uptake by respiration and diet in single organisms and in food webs, most commonly for aquatic systems for which confirmatory monitoring data can be obtained. Biomagnification is readily evaluated both experimentally and as a fugacity (or activity) increase from prey to predator. Toxicokinetic evaluations of chemical uptake and disposition in a variety of organisms, including humans, can be obtained using fugacity- and physiologically-based pharmacokinetic models. Toxicodynamic processes of chemical interactions with organisms leading to adverse toxic outcomes are less obviously amenable to fugacity assessment with the notable exception of baseline toxicity (narcosis), the most common mode of action of commercial chemicals. It is shown that a range of fugacities can be defined and correlated for specific species thus enabling direct comparison of fugacities estimated or monitored in the environment with fugacities resulting in baseline toxicity. Finally, it is shown that fugacity and activity can serve as multi-media metrics of chemical contamination in ecosystems, thus enabling identification of specific regions and species at greatest risk in a pictorial format that is readily understandable to scientific and regulatory communities and to the general public.

中文翻译：

关于逸度和活性在评估有机化学品的PBT特性以及提供环境污染的多媒体概要指标方面的作用的观点。

使用P（持久性），B（生物累积）和T（毒性）标准对环境中存在的有机化学物质的危害和风险进行常规评估。我们提出了一个观点，即基于逸度和化学活性的平衡标准的模型如何对所有三个评估做出贡献，从而提供了一致且无缝的评估过程。持久性及其紧密相关但本质上不同的属性，化学停留时间可以通过降解半衰期（通常从监测数据获得）和描述真实或评估环境中化学命运和运输的多媒体质量平衡模型来确定。生物蓄积是由平衡分配过程驱动的，平衡分配过程可以根据逸散度模型估算，该模型可以处理单一生物体和食物网中的呼吸和饮食摄入，最常见于可获取确认性监测数据的水生系统。从实验上和从猎物到捕食者的逸度（或活性）增加，都可以轻松评估生物放大倍数。可以使用基于逸度和生理学的药代动力学模型，对包括人在内的多种生物体中的化学摄取和处置进行毒物动力学评估。与生物体发生化学反应的毒性动力学过程导致不良的毒性结果，除基线毒性（麻醉）（商业化学品最常见的作用方式）的显着例外外，不易进行逸度评估。结果表明，可以为特定物种定义和关联一系列逸散性，从而可以将环境中估计或监测的逸散性与导致基线毒性的逸散性进行直接比较。最后，研究表明，逸度和活度可以作为生态系统中化学污染的多媒体指标，从而能够以易于理解的图形格式识别科学和监管机构以及广大公众所面临的最大风险的特定区域和物种。上市。

更新日期：2020-01-20

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