Combining Nontargeted Analysis with Computer-Based Hazard Comparison Approaches to Support Prioritization of Unregulated Organic Contaminants in Biosolids

IF 10.8 1区 环境科学与生态学 Q1 ENGINEERING, ENVIRONMENTAL 环境科学与技术 Pub Date : 2024-06-25 DOI:10.1021/acs.est.4c02934
Matthew N. Newmeyer, Qinfan Lyu, Jon R. Sobus, Antony J. Williams, Keeve E. Nachman and Carsten Prasse*, 
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Abstract

Biosolids are a byproduct of wastewater treatment that can be beneficially applied to agricultural land as a fertilizer. While U.S. regulations limit metals and pathogens in biosolids intended for land applications, no organic contaminants are currently regulated. Novel techniques can aid in detection, evaluation, and prioritization of biosolid-associated organic contaminants (BOCs). For example, nontargeted analysis (NTA) can detect a broad range of chemicals, producing data sets representing thousands of measured analytes that can be combined with computational toxicological tools to support human and ecological hazard assessment and prioritization. We combined NTA with a computer-based tool from the U.S. EPA, the Cheminformatics Hazard Comparison Module (HCM), to identify and prioritize BOCs present in U.S. and Canadian biosolids (n = 16). Four-hundred fifty-one features were detected in at least 80% of samples, with identities of 92 compounds confirmed or assigned probable structures. These compounds were primarily categorized as endogenous compounds, pharmaceuticals, industrial chemicals, and fragrances. Examples of top prioritized compounds were p-cresol and chlorophene, based on human health end points, and fludioxonil and triclocarban, based on ecological health end points. Combining NTA results with hazard comparison data allowed us to prioritize compounds to be included in future studies of the environmental fate and transport of BOCs.

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将非目标分析与基于计算机的危害比较方法相结合,支持生物固体中未受管制有机污染物的优先排序。
生物固体是废水处理的副产品,可作为肥料施用到农田中。虽然美国法规对用于土地应用的生物固体中的金属和病原体进行了限制,但目前还没有对有机污染物进行监管。新技术可帮助检测、评估和优先处理生物固体相关有机污染物 (BOC)。例如,非靶向分析 (NTA) 可以检测多种化学品,产生代表数千种测量分析物的数据集,这些数据集可与计算毒理学工具相结合,以支持人类和生态危害评估和优先排序。我们将 NTA 与美国环保局的计算机工具--Cheminformatics 危害比较模块 (HCM) 相结合,对美国和加拿大生物固体(n = 16)中的 BOC 进行了识别和优先排序。在至少 80% 的样本中检测到了 451 种特征,其中 92 种化合物的身份得到确认或被指定为可能的结构。这些化合物主要分为内源性化合物、药物、工业化学品和香料。最优先考虑的化合物包括基于人类健康终点的对甲酚和氯芬,以及基于生态健康终点的氟虫腈和三氯卡班。将 NTA 结果与危害比较数据结合起来,我们就可以在今后的 BOC 环境归宿和迁移研究中优先考虑这些化合物。
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来源期刊
环境科学与技术
环境科学与技术 环境科学-工程:环境
CiteScore
17.50
自引率
9.60%
发文量
12359
审稿时长
2.8 months
期刊介绍: Environmental Science & Technology (ES&T) is a co-sponsored academic and technical magazine by the Hubei Provincial Environmental Protection Bureau and the Hubei Provincial Academy of Environmental Sciences. Environmental Science & Technology (ES&T) holds the status of Chinese core journals, scientific papers source journals of China, Chinese Science Citation Database source journals, and Chinese Academic Journal Comprehensive Evaluation Database source journals. This publication focuses on the academic field of environmental protection, featuring articles related to environmental protection and technical advancements.
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