A Metabolomics Coupled With Chemometrics Strategy to Filter Combinatorial Discriminatory Quality Markers of Crude and Salt-Fired

Overview

Journal Front Pharmacol

Date 2020 Jul 7

PMID 32625085

Citations 3

Authors

Jiading Guo

Jin Li

Xuejing Yang

Hui Wang

Jun He

Erwei Liu

Xiumei Gao

Yan-Xu Chang

Affiliations

Soon will be listed here.

Abstract

is commonly used for treating various diseases in a form of the crude and salt-fired products. Generally, it is empirical to distinguish the difference between two types of . The metabolomics coupled with chemometrics strategy was proposed to filter the combinatorial discriminatory quality markers for precise distinction and further quality control of the crude and salt-fired . The metabolomics data of multiple batches of samples was obtained by ultra-high performance liquid chromatography coupled with mass spectrometry (UHPLC-MS). Orthogonal partial least-squares discriminant analysis was utilized to filter candidate markers for characterizing the obvious difference of the crude and salt-fired . The accuracy of combinatorial markers was validated by random forest and partial least squares regression. Finally, eleven combinatorial discriminatory quality markers from 67 identified compounds were rapidly screened, identified, and determined for distinguishing the difference between crude and salt-fired . It was demonstrated that UHPLC-MS based metabolomics with chemometrics was a powerful strategy to screen the combinatorial discriminatory quality markers for distinguishing the crude and salt-fired and to provide the reference for precise quality control of .

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