Watson William D, Janssen Jake A, Hartnett Michael J, Isaacs Kristin K, Liu Xiaoyu, Yau Alice Y, Favela Kristin A, Wambaugh John F
Southwest Research Institute, San Antonio, Texas 78238, United States.
Center for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States.
Environ Sci Technol. 2024 Dec 10;58(49):21669-21679. doi: 10.1021/acs.est.4c07903. Epub 2024 Nov 27.
Characterization of chemicals in household products is important for understanding this potential source of chemical exposure. Increasingly, suspect screening and nontargeted analysis techniques are used to characterize as many chemical signatures as possible. Solids such as household products are most conveniently prepared using solvent extraction, revealing what chemicals are contained within the product matrix but providing no information about the potential of those chemicals to leave the matrix and cause actual exposure. In this work, the profile and relative abundances of "extractable" chemical signatures found after solvent extraction are compared to those "emittable" to the headspace for 81 household products analyzed by two-dimensional gas chromatography time-of-flight mass spectrometry. This study retrospectively fuses data collected in separate efforts over 3.8 years and 13 analytical batches. Management of the data is made possible by recent developments in processing systems for complex data such as Highlight. Compounds were generically classified as aromatic heteroatom, aromatic hydrocarbon, glycol, hydrocarbon, long chain heteroatom, nonaromatic heteroatom, and unknown/unclassified. Class-based retention time and abundance trends were observed. Liquid extraction resulted in the greatest number of features and the highest relative abundances, while low temperature emission conditions produced the smallest number of features and lowest relative abundances.
