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.
摘要：
生物固体是废水处理的副产品，可以作为肥料有益地应用于农田。虽然美国法规限制了用于土地应用的生物固体中的金属和病原体，目前没有有机污染物受到管制。新技术可以帮助检测，评估，和优先考虑生物固体相关有机污染物(BOCs)。例如,非目标分析（NTA）可以检测广泛的化学物质，产生代表数千个测量分析物的数据集，这些数据集可以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EPA的基于计算机的工具结合在一起，化学信息学危害比较模块(HCM)，确定和优先考虑美国和加拿大生物固体中存在的BOCs(n=16)。在至少80%的样本中检测到4151个特征，确认或指定了92种化合物的可能结构。这些化合物主要被归类为内源性化合物，制药，工业化学品,和香水。最优先考虑的化合物的例子是对甲酚和氯酚，基于人类健康终点，以及氟二恶英和三氯卡班，基于生态健康终点。将NTA结果与危害比较数据相结合，使我们能够优先考虑将化合物纳入未来的BOCs环境归宿和运输研究中。
