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利用权重证据评估 UVCB 碳氢溶剂的降解潜力。

Using weight of evidence to assess degradation potential of UVCB hydrocarbon solvents.

机构信息

ExxonMobil Biomedical Sciences Inc., Annandale, New Jersey, USA.

ExxonMobil Petroleum & Chemical B.V., Machelen, Belgium.

出版信息

Integr Environ Assess Manag. 2023 Jul;19(4):1120-1130. doi: 10.1002/ieam.4731. Epub 2023 Jan 23.

Abstract

Hydrocarbon solvents are a diverse group of petrochemical substances that are identified as unknown or variable composition, complex reaction products, or biological materials (UVCBs) and may contain tens of thousands of individual chemical constituents. As such, it is generally not possible to analytically resolve every chemical constituent in a hydrocarbon solvent. This, along with the low water solubility and/or high vapor pressure of constituents, precludes the use of many standardized tests designed to determine biodegradation in the environment (e.g., Organization for Economic Co-operation and Development [OECD] 309). A weight of evidence approach may be needed to reduce uncertainty to an acceptable level such that a determination on the biodegradation of the substance can be drawn. Based on the OECD 2019 weight of evidence guidance, we present a framework using various lines of evidence that can be used to evaluate the biodegradation of a UVCB solvent in a weight of evidence approach. The lines of evidence include whole substance testing, data on representative constituents, quantitative structure activity relationship (QSAR) models, and biological plausibility. Using these lines of evidence, "Hydrocarbon, C11-C14, normal alkane, isoalkane, cyclic, <2% aromatics" (EC# 926-141-6) was evaluated in a case study. Data from three whole substance tests, 43 constituents (representing 152 data points), three QSAR models and evidence of microbial degradation pathways were evaluated. Based on the available data, it is concluded that the solvent for the case study is not expected to persist in the environment. This framework sets out a real-world example of how the weight of evidence can be used to evaluate hydrocarbon solvents. While focused on persistence, similar approaches can be used to evaluate other endpoints such as bioaccumulation and toxicity. Integr Environ Assess Manag 2023;19:1120-1130. © 2023 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).

摘要

烃类溶剂是一组多样化的石油化工物质,被鉴定为未知或可变成分、复杂反应产物或生物材料(UVCB),可能含有成千上万种单个化学物质。因此,通常不可能分析确定烃类溶剂中的每一种化学物质。此外,由于成分的水溶性低和/或蒸气压高,许多旨在确定环境中生物降解的标准测试无法使用(例如,经济合作与发展组织[OECD]309)。可能需要采用证据权重方法来将不确定性降低到可接受的水平,以便对物质的生物降解性做出判断。根据 OECD 2019 年的证据权重指南,我们提出了一个框架,使用各种证据线索来评估 UVCB 溶剂的生物降解性。这些证据线索包括全物质测试、代表性成分数据、定量结构活性关系(QSAR)模型和生物可行性。使用这些证据线索,对“烃类,C11-C14,正构烷烃,异构烷烃,环状,<2%芳烃”(EC#926-141-6)进行了案例研究。评估了三项全物质测试、43 种成分(代表 152 个数据点)、三个 QSAR 模型和微生物降解途径的证据。根据现有数据,得出的结论是,案例研究中的溶剂预计不会在环境中持久存在。该框架提出了一个实际案例,说明如何使用证据权重来评估烃类溶剂。虽然重点是持久性,但类似的方法也可用于评估其他终点,如生物蓄积性和毒性。综合环境评估与管理 2023;19:1120-1130。©2023 作者。综合环境评估与管理由 Wiley 期刊 LLC 代表环境毒理与化学学会(SETAC)出版。

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