Nontarget screen and identify sulfate and sulfonate surfactants in personal care products using UHPLC-Q-Orbitrap-HRMS based on fragmentation characteristics and sulfur isotopologue pattern
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Le résumé fourni par la source
Sulfate and sulfonate compounds are extensively used as anionic surfactants in personal care products (PCPs), which might pose adverse potential to human health. However, available research mostly identified certain subsets of sulfated and sulfonated surfactants based on target analysis. In this study, we developed a comprehensive nontarget strategy for identification of sulfated and sulfonated surfactants in PCPs using UHPLCHRMS supplemented by an in-lab R script based on characteristic fragment ions and sulfur isotope patterns. A total of 20 sulfate and 12 sulfonate surfactants of confidence level 3 and above were identified in the range of alkyl chain length from C12 to C26 with 0-7 ethoxy groups and molecular weights of 200-600 Da in the PCP samples. The sulfates included 4 alkyl sulfates and 16 alkyl ether sulfates. In addition to commonly reported 4 alkyl benzene sulfonates, this study identified eight sulfonate surfactants for the first time, which were 3 alkyl sulfonates, 3 methyl ammonium sulfonates, and 2 bis-sulfonate sulfonates in the PCPs. Interestingly, 22 sulfate and sulfonate compounds were identified in the negatively labeled PCP samples which were not supposed to contain sulfate and sulfonate surfactants. The results demonstrated robustness of the developed nontarget analyzing strategy in identifying and characterizing sulfate and sulfonate surfactants and consequently providing guidance for management and regulation of chemical addition in PCPs to ensure safe use.
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Le contrôle bibliographique ouvert
DOI retrouvé dans Crossref DOI retrouvé ; titre concordant.
- Titre Crossref
- Nontarget screen and identify sulfate and sulfonate surfactants in personal care products using UHPLC-Q-Orbitrap-HRMS based on fragmentation characteristics and sulfur isotopologue pattern
- Date Crossref
- 01/02/2025
- Éditeur
- Elsevier BV
- Type
- journal-article
Ce recoupement confirme des métadonnées liées au DOI. Il ne confirme ni la méthode ni les conclusions de l’étude, et il ne compte pas comme une seconde source scientifique indépendante.
Où se fait cette recherche
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Guangzhou Institute of Geochemistry pays non établi dans la noticeStructure de recherche
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Inspection and Research Institute Guangzhou Quality Supervision pays non établi dans la noticeStructure de recherche
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Guangdong Testing Institute for Product Quality Supervision pays non établi dans la noticeUniversité ou école supérieure
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Guangzhou Institute of Advanced Technology pays non établi dans la noticeUniversité ou école supérieure
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University of Chinese Academy of Sciences State Key Laboratory of Advanced Environmental Technology pays non établi dans la noticeUniversité ou école supérieure
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Guangzhou Quality Supervision and Testing Institute pays non établi dans la noticeStructure de recherche
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State Key Laboratory of Advanced Environmental Technology pays non établi dans la noticeStructure de recherche
Guangzhou Institute of Geochemistry, Guangzhou Quality Supervision — Inspection and Research Institute et Guangdong Testing Institute for Product Quality Supervision, avec 4 autres affiliations.
Une affiliation ne permet pas de déduire la nationalité d’un auteur.