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Collision cross-section as a universal molecular descriptor in the analysis of PFAS and use of ion mobility spectrum filtering for improved analytical sensitivities
Analytica Chimica Acta ( IF 5.7 ) Pub Date : 2023-03-01 , DOI: 10.1016/j.aca.2023.341026
Francisco José Díaz-Galiano 1 , María Murcia-Morales 1 , Fabrice Monteau 2 , Bruno Le Bizec 2 , Gaud Dervilly 2
Affiliation  

The massive usage of per- and polyfluoroalkyl substances (PFAS), as well as their high chemical stability, have led to their ubiquitous presence in environmental matrices and direct human exposure through contaminated food, particularly fish. In the analysis of this large group of substances, the use of ion mobility coupled to mass spectrometry is of particular relevance because it uses an additional descriptor, the collision cross-section (CCS), which results in increased selectivity. In the present work, the TWCCSN2 of 24 priority PFAS were experimentally obtained, and the reproducibility of these measurements was evaluated over seven weeks. The average values were employed to critically assess previously reported data and theoretical calculations. This gain in selectivity made it possible to increase the sensitivity of the detection on complex matrices (biota, food and human serum) by using the drift time associated to each analyte as a filter, thus reducing the interferences and background noise and allowing their detection at trace levels.



中文翻译:

碰撞截面作为 PFAS 分析中的通用分子描述符,以及使用离子淌度谱过滤提高分析灵敏度

全氟和多氟烷基物质 (PFAS) 的大量使用及其高化学稳定性导致它们在环境基质中无处不在,并通过受污染的食物(尤其是鱼类)直接暴露于人类。在这一大组物质的分析中,离子淌度与质谱联用的使用具有特殊的相关性,因为它使用了额外的描述符,即碰撞截面 (CCS),从而提高了选择性。在目前的工作中,TW CCS N2通过实验获得了 24 种优先级 PFAS,并在七周内评估了这些测量的重现性。平均值被用来批判性地评估以前报告的数据和理论计算。这种选择性的提高使得通过使用与每种分析物相关的漂移时间作为过滤器来提高复杂基质(生物群、食物和人血清)检测的灵敏度成为可能,从而减少干扰和背景噪声并允许它们在痕量水平。

更新日期:2023-03-05
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