High-Resolution Mass Spectrometry as a Tool To Evaluate the Sample Preparation of Sludge,Analytical Chemistry

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High-Resolution Mass Spectrometry as a Tool To Evaluate the Sample Preparation of Sludge
Analytical Chemistry ( IF 6.7 ) Pub Date : 2017-09-05 00:00:00 , DOI: 10.1021/acs.analchem.7b01081
Alexandre Bergé ₁ , Audrey Buleté ₁ , Aurélie Fildier ₁ , Emmanuelle Vulliet ₁

Affiliation

This study explored the sample preparation steps based on QuEChERS (quick, easy, cheap, effective, rugged, and safe) of a complex matrix, such as sewage sludge, regarding their impacts on the chemical signatures of the samples obtained via high-resolution mass spectrometry (HRMS). The effects on the HRMS signal of the intrinsic parameters of the QuEChERS method, such as the extraction solvent, the buffer salt, or the purification procedure, have been evaluated. Different strategies have been used to perform these evaluations, such as a comparison of the total number of HRMS signals, a comparison of the targeted screening based on more than 100 compounds, and a comparison of a nontargeted screening based both on the study of the most discriminating couples [mass-to-charge ratio (m/z); retention time (t_R)] and on the most intense peaks. Moreover, two specific methods dedicated to the extraction of surfactants and drugs have been added to this comparison to visualize the impact of specific conditions on the chemical signature. This study provides the first information on the impact of sample preparation on the HRMS analysis of sludge. It shows that acetonitrile is the most effective solvent for obtaining maximum information from sewage sludge. The comparison of the different cleanup procedures emphasizes the significance of this step and demonstrates the connection between the intrinsic physicochemical properties of molecules and the operating conditions of the extraction, particularly the pH. Moreover, the study highlights that surfactants, i.e., quaternary ammoniums in the positive ionization mode and linear alkylbenzene sulfonates in the negative mode, are the most discriminating compounds.

中文翻译：

高分辨率质谱法作为评估污泥样品制备的工具

这项研究探索了基于QuEChERS（快速，简单，廉价，有效，坚固且安全）的复杂基质（例如污水污泥）的样品制备步骤，这些步骤对通过高分辨率质量获得的样品的化学特征产生影响光谱法（HRMS）。已经评估了QuEChERS方法固有参数（例如萃取溶剂，缓冲盐或纯化程序）对HRMS信号的影响。已经使用了不同的策略来执行这些评估，例如比较HRMS信号的总数，比较基于100多种化合物的靶向筛查以及比较基于两种方法研究的非靶向筛查。辨别电偶[质荷比（m / z）; 保留时间（吨_ř）]和最强烈的山峰上。此外，此比较中还添加了两种专门用于提取表面活性剂和药物的特定方法，以可视化特定条件对化学标记的影响。这项研究提供了有关样品制备对污泥HRMS分析的影响的第一个信息。它表明乙腈是从污水污泥中获得最大信息的最有效溶剂。不同净化程序的比较强调了这一步骤的重要性，并证明了分子的内在物理化学性质与萃取操作条件（尤其是pH）之间的联系。此外，研究还强调了表面活性剂，即

更新日期：2017-09-06

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