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
文献类型：期刊论文
| 作者 | Yang, Tao1,3; Li, Xinling1,3; Tan, Jianhua2; Liang, Wenyao2; Peng, Xianzhi3 |
| 刊名 | JOURNAL OF CHROMATOGRAPHY A
 |
| 出版日期 | 2025-02-22 |
| 卷号 | 1743页码:8 |
| 关键词 | Nontarget strategy Characteristic fragment ions Sulfur isotope patterns Personal care products Sulfate and sulfonate compound |
| ISSN号 | 0021-9673 |
| DOI | 10.1016/j.chroma.2025.465714 |
| 英文摘要 | 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 UHPLC-HRMS 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. |
| WOS研究方向 | Biochemistry & Molecular Biology ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:001409568400001 |
| 源URL | [http://ir.gig.ac.cn/handle/344008/82645]  |
| 专题 | 环境室 |
| 通讯作者 | Tan, Jianhua; Peng, Xianzhi |
| 作者单位 | 1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Guangzhou Qual Supervis & Testing Inst, Guangzhou 510050, Peoples R China 3.Chinese Acad Sci, Guangzhou Inst Geochem, State Key Lab Adv Environm Technol, Guangzhou 510640, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Tao,Li, Xinling,Tan, Jianhua,et al. 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[J]. JOURNAL OF CHROMATOGRAPHY A,2025,1743:8. |
| APA | Yang, Tao,Li, Xinling,Tan, Jianhua,Liang, Wenyao,&Peng, Xianzhi.(2025).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.JOURNAL OF CHROMATOGRAPHY A,1743,8. |
| MLA | Yang, Tao,et al."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".JOURNAL OF CHROMATOGRAPHY A 1743(2025):8. |
入库方式： OAI收割
来源：广州地球化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。