Non-target screening analysis method for intoxicating organic pollutants in wastewater based on molecular network

Abstract

The invention discloses a non-target screening analysis method for intoxicating organic pollutants in wastewater based on a molecular network. The method comprises the following steps of: a) carryingout solid-phase extraction on pretreated wastewater to obtain an organic pollutant concentrated solution; b) fractionating the organic pollutant concentrated solution by using a high performance liquid chromatograph equipped with an automatic fraction collector to obtain a to-be-detected fraction; c) analyzing and detecting the to-be-detected fraction in the step b) by adopting a high performanceliquid chromatography-time-of-flight mass spectrometer; and d) processing the mass spectrum data detected in the step c) by using open source analysis software, generating a molecular network associated with the organic pollutants, and analyzing substances of network nodes. According to the non-target screening analysis method for the intoxicating organic pollutants in the wastewater based on themolecular network, the pollutant molecular network is generated, the network nodes display the response intensity of the substance in different components in a pie chart form, and the concentrations of the same substance in different components can be visually compared.

Description

technical field [0001] The invention belongs to the technical fields of environmental analytical chemistry and environmental toxicology, and specifically relates to a method for non-target screening and analysis of toxic organic pollutants in wastewater based on molecular networks. Background technique [0002] During the rapid development of my country's industry in the past 30 years, a large number of organic synthetic chemicals have been produced and used. These substances have entered the water body and become an important source of toxic pollutants in the natural environment. Therefore, a comprehensive screening of organic pollutants in wastewater and evaluation of their toxic effects are of great significance for protecting the safety of aquatic ecosystems and human health. [0003] To date, a large number of target contaminant screening methods have been developed based on the use of chromatographic techniques coupled with quadrupole or ion trap mass spectrometers. I...

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Problems solved by technology

[0009] Purpose of the invention: The technical problem to be solved by the present invention is to solve the problems such as the lack of guidance on toxic effects in the current non-target screening method for organic pollutants in wastewater, the inability to visually compare the screening results of different samples, and the inability to reflect the overall occurrence of pollutants, etc. , the present invention provides a molecular network-based method for non-target screening and analysis of toxic organic pollutants in wastewater, which performs non-target screening on the toxicity-driven components identified by effect-oriented analysis to construct a molecular network of pollutants to realize the detection of different groups Intuitive comparison of different pollutants, and in-depth understanding of the relationship between pollutants with the help of network science methods

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