Favela, Kristin A. published the artcileNontargeted Analysis of Face Masks: Comparison of Manual Curation to Automated GCxGC Processing Tools, Related Products of esters-buliding-blocks, the publication is Journal of the American Society for Mass Spectrometry (2021), 32(4), 860-871, database is CAplus and MEDLINE.
Masks constructed of a variety of materials are in widespread use due to the COVID-19 pandemic, and people are exposed to chems. inherent in the masks through inhalation. This work aims to survey commonly available mask materials to provide an overview of potential exposure. A total of 19 mask materials were analyzed using a nontargeted anal. 2-dimensional gas chromatog. (GCxGC)-mass spectrometric (MS) workflow. Traditionally, there has been a lack of GCxGC-MS automated high-throughput screening methods, resulting in trade-offs with throughput and thoroughness. This work addresses the gap by introducing new machine learning software tools for high-throughput screening (Floodlight) and subsequent pattern anal. (Searchlight). A recursive workflow for chem. prioritization suitable for both manual curation and machine learning is introduced as a means of controlling the level of effort and equalizing sample loading while retaining key chem. signatures. Manual curation and machine learning were comparable with the mask materials clustering into 3 groups. The majority of the chem. signatures could be characterized by chem. class in 7 categories: organophosphorus, long chain amides, polyethylene terephthalate oligomers, n-alkanes, olefins, branched alkanes and long-chain organic acids, alcs., and aldehydes. The olefin, branched alkane, and organophosphorus components were primary contributors to clustering, with the other chem. classes having a significant degree of heterogeneity within the three clusters. Machine learning provided a means of rapidly extracting the key signatures of interest in agreement with the more traditional time-consuming and tedious manual curation process. Some identified signatures associated with plastics and flame retardants are potential toxins, warranting future study to understand the mask exposure route and potential health effects.
Journal of the American Society for Mass Spectrometry published new progress about 31570-04-4. 31570-04-4 belongs to esters-buliding-blocks, auxiliary class Mono-phosphine Ligands, name is Tris(2,4-di-tert-butylphenyl) phosphite, and the molecular formula is C42H63O3P, Related Products of esters-buliding-blocks.
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