Quantitative source apportionment based on nontarget high-resolution mass spectrometry (HRMS) data of pollution source and pollution receptor
A quantitative source apportionment method based on nontarget high-resolution mass spectrometry (HRMS) data of pollution sources and pollution receptors includes: acquiring samples of pollution sources and receptors, pre-processing samples to extract trace organic pollutants; acquiring chromatograph...
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Zusammenfassung: | A quantitative source apportionment method based on nontarget high-resolution mass spectrometry (HRMS) data of pollution sources and pollution receptors includes: acquiring samples of pollution sources and receptors, pre-processing samples to extract trace organic pollutants; acquiring chromatography-HRMS nontarget data; pre-processing raw data to obtain a HRMS dataset including a mass-to-charge ratio, a retention time, and a peak area; determining a source-sink relationship based on positions of pollution sources and receptors; constructing an input matrix by combining the HRMS dataset and using each sink as a group; adopting an expectation-maximization method or a Bayesian method to calculate contribution of each source based on a standardized input matrix. Beneficial effects at least include the follows. (1) The HRMS is used to acquire data to, information of the pollution source chemical fingerprint is rich and accurate; (2) contributions of different pollution sources to the receptor are quantitatively evaluated by using statistical algorithms. |
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