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Developing Chemical Signatures for 5 Categories of Household Products Using Non-Targeted Analysis
Citation:
Stanfield, Z., K. Favela, A. Yau, K. Phillips, A. Williams, K. Isaacs, AND J. Wambaugh. Developing Chemical Signatures for 5 Categories of Household Products Using Non-Targeted Analysis. ISES, Chicago, IL, August 27 - 31, 2023. https://doi.org/10.23645/epacomptox.24018549
Impact/Purpose:
N/A
Description:
Consumer products are a major source of chemical exposure and therefore potential risk. It is important to understand what chemicals are typically present in different types of products not only for risk evaluation but also to assess new products for similarity with existing ones and identify any uncommon chemical ingredients. Non-targeted analysis (NTA) using two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC-TOFMS) was applied to 118 unique consumer products from 5 categories. A total of 489 probable chemical structures were tentatively identified using the 2017 NIST spectral library (109 confirmed via chemical standards) across all products. Chemicals were characterized by functional use (in products) and chemical structural class. Fabric products contained the most total and unique chemicals (230 and 118, respectively) identifiable by GCxGC-TOFMS while kitchen products contained the least (63 and 30, respectively). Use of duplicated samples and repeats of the same individual products allowed for a within-product category similarity assessment, which showed highest variability in personal care products and lowest in kitchen products. Chemical ingredient signatures (including estimated sample concentration ranges) for each product type were obtained via a clustering analysis and a regularized classification model (97.52% training accuracy). This study provides a baseline set of chemical ingredients (that is, representative mixtures) across common types of consumer products, which 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. This abstract does not reflect U.S. EPA policy.
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DOI: Developing Chemical Signatures for 5 Categories of Household Products Using Non-Targeted Analysis
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