Stanfield Zachary, Favela Kristin, Yau Alice, Menn Christina, Edrisi Hamed, Phillips Katherine A, Williams Antony J, Isaacs Kristin K, Wambaugh John F
Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States.
Southwest Research Institute, San Antonio, Texas 78238, United States.
Environ Sci Technol. 2025 Jan 21;59(2):1354-1366. doi: 10.1021/acs.est.4c09853. Epub 2025 Jan 7.
Consumer products are a major source of chemicals that may pose a health risk. It is important to understand what chemicals are in these products to evaluate risk and assess new products for uncommon ingredients. Suspect screening analysis (SSA) using two-dimensional gas chromatography-high-resolution-time-of-flight/mass spectrometry (GCxGC-HR-TOF/MS) was applied to 92 consumer products from 5 categories. 485 probable chemical structures were tentatively identified using the NIST 2017 spectral library across all products (109 confirmed). Chemicals were characterized by functional use and structural class. Fabric upholsteries contained the most chemicals (239) identifiable by GCxGC-HR-TOF/MS and silicone kitchen tools the least (64). Use of duplicate samples and repeat purchases of products allowed for a within-product category similarity assessment, which showed highest variability in baby soap and lowest in cotton clothing. Chemical ingredient signatures (including reported sample abundance ranges) for each product type were obtained by identifying chemicals occurring in ≥80% of product samples. These signatures provide a baseline set of chemical ingredients (that is, representative mixtures) across common consumer product types. The chemical signatures will help in evaluating new and existing products. Separating constituent chemicals into typical and atypical might inform exposure assessment, in vitro bioactivity screening, and ultimately the risk related to using such products.
消费品是可能构成健康风险的化学物质的主要来源。了解这些产品中含有哪些化学物质对于评估风险和评估含有罕见成分的新产品非常重要。使用二维气相色谱-高分辨率飞行时间/质谱联用仪（GCxGC-HR-TOF/MS）的可疑筛选分析（SSA）被应用于来自5个类别的92种消费品。使用NIST 2017光谱库在所有产品中初步鉴定出485种可能的化学结构（109种得到确认）。根据功能用途和结构类别对化学物质进行了表征。织物内饰含有的可通过GCxGC-HR-TOF/MS鉴定的化学物质最多（239种），而硅胶厨房工具含有的最少（64种）。使用重复样品和重复购买产品允许进行产品类别内的相似性评估，结果显示婴儿肥皂的变异性最高，棉质服装的变异性最低。通过鉴定在≥80%的产品样品中出现的化学物质，获得了每种产品类型的化学成分特征（包括报告的样品丰度范围）。这些特征提供了常见消费品类型中化学成分的基线集（即代表性混合物）。这些化学特征将有助于评估新产品和现有产品。将成分化学物质分为典型和非典型可能有助于暴露评估、体外生物活性筛选，并最终有助于评估使用此类产品的风险。
