Catalan Institute for Water Research (ICRA), Carrer Emili Grahit 101, 17003 Girona, Spain.
Catalan Institute for Water Research (ICRA), Carrer Emili Grahit 101, 17003 Girona, Spain; Ruđer Bošković Institute, Bijenička cesta 54, 10000 Zagreb, Croatia.
Chemosphere. 2018 Jun;200:397-404. doi: 10.1016/j.chemosphere.2018.02.095. Epub 2018 Feb 17.
The dissolved organic matter (DOM) in wastewater is typically described by a limited number of concentration measurements of select DOM fractions or micro-contaminants, which determine the removal efficiency in a wastewater treatment. Current methods do not necessarily reflect the true performance of the treatment with regard to environmental and public health risk. Herein we describe the development and application of a non-targeted liquid chromatography-high resolution mass spectrometry (LC-HRMS) data analysis for the evaluation of wastewater treatment processes. Our data analysis approach was applied to a real wastewater system with secondary biological treatment and tertiary treatment consisting of sand filtration, UV-treatment, and chlorination. We identified significant changes in DOM during wastewater treatment. The secondary treatment removed 1617 of 2409 (67%) detected molecular features (grouped isotopologues belonging to the same molecule) from the influent while 255 of 1047 (24%) new molecular features appeared in the secondary effluent. A reduction in the number of large molecules (>450 Da) and an increase in unsaturated molecular features of the effluent organic matter was observed. Van Krevelen plots revealed the distribution of unsaturation and heteroatoms and Kendrick mass defect plots uncovered CH homologous series implying a removal of heavy constituents in that fraction. The demonstrated approach is a step towards a more comprehensive monitoring of DOM in wastewater and contributes to the understanding of current treatment technologies.
废水中的溶解有机物 (DOM) 通常通过对选定的 DOM 分数或痕量污染物进行有限数量的浓度测量来描述，这些测量决定了废水处理的去除效率。目前的方法不一定能反映处理过程在环境和公共健康风险方面的真实性能。本文描述了一种非靶向液相色谱-高分辨质谱 (LC-HRMS) 数据分析方法的开发和应用，用于评估废水处理工艺。我们的数据分析方法应用于具有二级生物处理和三级处理的实际废水系统，三级处理包括砂滤、UV 处理和氯化。我们在废水处理过程中发现 DOM 发生了显著变化。二级处理去除了进水 2409 个（67%）检测到的分子特征中的 1617 个，而在二级出水中出现了 255 个（24%）新的分子特征。废水中的大分子量（>450 Da）的数量减少，不饱和分子特征的数量增加。Van Krevelen 图揭示了不饱和和杂原子的分布，而 Kendrick 质量缺陷图揭示了 CH 同系物系列，这意味着该部分中重质成分被去除。所展示的方法是朝着更全面监测废水中 DOM 的方向迈出的一步，并有助于理解当前的处理技术。
