Devers Jason, Pattison David I, Hansen Asger B, Christensen Jan H
Analytical Chemistry Group, Department of Plant and Environmental Science, Faculty of Science, University of Copenhagen, 1871, Frederiksberg C, Denmark.
Talanta. 2025 Jan 1;282:127032. doi: 10.1016/j.talanta.2024.127032. Epub 2024 Oct 10.
Wastewater is a major reservoir for chemical contaminants, both anthropogenic and biogenic. Recent chemical and toxicological analysis reveals the abundance and impact of these compounds, often termed contaminants of emerging concern (CECs). Concurrently, incomplete removal of these compounds in wastewater treatment plants sets a precedent for detailed characterisation and monitoring of such substances. Although liquid chromatography (LC) is frequently used for analysis of CECs in wastewater, gas chromatography (GC) maintains its significance for non-polar to mid-polar analytes. GC offers advantages such as increased separation efficiency, fewer matrix effects, and greater availability and reliability of reference mass spectra compared to LC. Comprehensive two-dimensional gas chromatography (GC × GC) delivers unmatched peak capacity and separational capabilities, critical in the resolution of diverse compound groups present within wastewater. When coupled with high resolution mass spectrometry, it provides a powerful identification tool with spectral databases and both 1st and 2nd dimensional retention indices, and has allowed for the separation, reliable annotation and characterisation of diverse CECs within wastewater in recent years. Herein, on the basis of recent studies from the last fifteen years, we outline cutting-edge methodologies and strategies for wastewater analysis using GC × GC. This includes sample preparation, derivatization of polar analytes, instrumental setup, and data analysis, ultimately providing the reader a framework for future non-targeted analysis of wastewater and other complex environmental matrices.
废水是人为和生物源化学污染物的主要储存库。最近的化学和毒理学分析揭示了这些化合物的丰度和影响，这些化合物通常被称为新出现的关注污染物（CECs）。同时，废水处理厂对这些化合物的不完全去除为详细表征和监测此类物质开创了先例。尽管液相色谱（LC）经常用于分析废水中的CECs，但气相色谱（GC）对于非极性至中极性分析物仍具有重要意义。与LC相比，GC具有分离效率提高、基质效应减少以及参考质谱的可用性和可靠性更高等优点。全二维气相色谱（GC×GC）具有无与伦比的峰容量和分离能力，这对于解析废水中存在的各种化合物组至关重要。当与高分辨率质谱联用时，它提供了一个强大的识别工具，结合光谱数据库以及一维和二维保留指数，并且近年来已实现了废水中各种CECs的分离、可靠注释和表征。在此，基于过去十五年的最新研究，我们概述了使用GC×GC进行废水分析的前沿方法和策略。这包括样品制备、极性分析物的衍生化、仪器设置和数据分析，最终为读者提供一个未来对废水和其他复杂环境基质进行非靶向分析的框架。
