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.

中文翻译：

---

一种基于高分辨率质谱的新型四组维恩图模型监测废水处理

开发了一个面向高分辨率质谱 (HRMS) 数据的 4 组维恩图模型，以破译三级连续废水处理过程中溶解有机物 (DOM) 的去向。总共概括了 24 种典型的废水处理模式，概念化为三个阶段的组合，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，可以识别出由 4 组维恩图的每个真子集分别表示的 8 种原生 DOM 和 7 种废水产生（WW-produced）的 DOM，从而提供 DOM 转化的分子图谱。4 组维恩图的 15 个真子集可以解释不同的废水处理单元是如何工作的。每个 DOM 分子式的转化率可以估计为半定量结果。我们进一步讨论了转换率和适当子集之间的关系。作为概念验证，4 组维恩图模型成功应用于具有 9 个处理单元的复杂的全规模成熟渗滤液处理工艺。该模型可以帮助克服应用HRMS时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。