Frontiers in Pharmacology (Jun 2020)
A Metabolomics Coupled With Chemometrics Strategy to Filter Combinatorial Discriminatory Quality Markers of Crude and Salt-Fired Eucommiae Cortex
Abstract
Eucommiae Cortex 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 Eucommiae Cortex. 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 Eucommiae Cortex. The metabolomics data of multiple batches of Eucommiae Cortex 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 Eucommiae Cortex. 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 Eucommiae Cortex. 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 Eucommiae Cortex and to provide the reference for precise quality control of Eucommiae Cortex.
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