Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092, PR China.
Shanghai Institute of Pollution Control and Ecological Security, Shanghai 200092, PR China.
Environ Sci Technol. 2022 Oct 18;56(20):14753-14762. doi: 10.1021/acs.est.2c02229. Epub 2022 Sep 27.
A 4-set Venn diagram model oriented to high-resolution mass spectrometry (HRMS) data was developed to decipher the fate of dissolved organic matters (DOM) in three-stage continuous wastewater treatment processes. In total, 24 typical wastewater treatment modes conceptualized into a combination of three stages were generalized so that this model can be applied to all common types of actual wastewater treatment processes. As a result, eight kinds of native DOM and seven kinds of wastewater-produced (WW-produced) DOM separately represented by each proper subset of the 4-set Venn diagram could be identified so as to offer a molecular profile of DOM transformation. The 15 proper subsets of the 4-set Venn diagram could then explain how different wastewater treatment units work. Transformation rates of each DOM molecular formula can be estimated as a semiquantitative result. We further discussed the relationship between the transformation rates and proper subsets. As a proof of concept, the 4-set Venn diagram model was successfully applied in a complicated full-scale mature leachate treatment process with nine treatment units. This model can help to overcome the challenging task of data mining when applying HRMS and reduce the workload of data screening in the subsequent structural annotation.
开发了一种面向高分辨质谱 (HRMS) 数据的四集合文氏图模型，以解析三级连续废水处理过程中溶解有机物 (DOM) 的命运。总共将 24 种典型的废水处理模式概念化为三个阶段的组合进行概括，以便该模型可以应用于所有常见类型的实际废水处理过程。结果，可以识别由四集合文氏图的每个适当子集分别表示的八种天然 DOM 和七种废水产生的 (WW-产生的) DOM，从而提供 DOM 转化的分子谱图。四集合文氏图的 15 个适当子集可以解释不同的废水处理单元如何工作。可以将每个 DOM 分子公式的转化速率估计为半定量结果。我们进一步讨论了转化速率与适当子集之间的关系。作为概念验证，四集合文氏图模型成功应用于具有九个处理单元的复杂全规模成熟渗滤液处理过程中。该模型有助于克服在应用 HRMS 时进行数据挖掘的挑战性任务，并减少后续结构注释中数据筛选的工作量。
