Nanjing University

Nanyang Yu

Si Wei

Hongxia Yu

Yuqian Li

Jichun Wu

Mengwen Liu

Xiaobin Zhu

Disclosed are a method and system for intelligent source tracing of organic pollution of a water body, which belongs to the technical field of environmental analytical chemistry. The method comprises: acquiring organic matter analysis and detection data from water samples of a polluted water body through high performance liquid chromatography-tandem mass spectrometry; performing high-throughput screening on the organic matter in the water samples according to said data to determine pollutants; identifying pollution sources by means of network analysis according to the determined pollutants; and according to the identified pollution sources and the organic pollutants, determining key pollutants and quantifying the pollution contributions thereof by using a machine learning classification model. The present invention can achieve intelligent tracing of the pollution sources and the key pollutants thereof in the case of the pollution sources being unknown, and provide technical support for investigation and control of organic pollution in a water environment.

Method and system for intelligent source tracing of organic pollution of water body

Disclosed is a method for high-throughput screening of non-target biomarkers based on metabolic disturbance caused by pollutants, belonging to the field of environmental exposure and health. The method includes the following steps: (1) extracting to obtain extracts to be tested; (2) performing chromatographic analysis to obtain a spectrum containing chromatographic peaks; (3) identifying and labeling features of pollutants, taking chromatographic peaks other than the features of the pollutants as features of potential metabolites, and performing non-target labeling of the features of the potential metabolites; (4) establishing a linear regression model by taking the peak areas of the features of the potential metabolites as dependent variables and the peak areas of the features of the pollutants as independent variables; (5) operating the model, and performing non-target screening of the biomarkers to preliminarily obtain related biomarkers; (6) identifying the MS spectra and MS/MS spectra of the preliminarily obtained biomarkers, and identifying biomarkers related to pollutant exposure. The disclosed method improves the accuracy of biomarker screening and the throughput of biomarker screening.

Method for high-throughput screening of non-target biomarkers based on metabolic perturbation caused by pollutants

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Nanjing, China

Nanyang Yu