A feasible processing-omics strategy for comprehensive evaluation of mechanisms of chemical transformation in processing Polygalae Radix

Traditional processing methods have been used to relieve toxicity and enhance a calming effect of Polygalae Radix (PR). However, up to now, there is no comprehensive study on the changes of saponins , aromatic acids, and so on (from relatively big molecules to small molecules). Here, a novel processing-omics (PO) strategy was reported. It cleverly integrated the non-targeted and targeted chemomics technology, and the simulated processing method of compounds for mining original markers, to rapidly and comprehensively evaluate mechanisms of chemical transformation among PR, PR with refined honey (HP), and PR with licorice (LP). In this strategy, the advanced ultra-high performance liquid chromatography coupled with quadrupole time-of-flight data-independent mass spectrometry (UHPLC-Q-TOF-MS E ) and HPLC platform were employed to study and collect chemical composition data of PR processing. And the combination of QI and UNIFI TM software was designed to analyze relatively big molecules for PR, HP and LP sequentially, avoiding a waste of time for the identification of extra non-markers. A total of 57 relatively big markers were identified. Six small aromatic acids were quantified by targeted chemomics, as critical markers. Importantly, the hydrolysis mechanisms of saponins, isomerization of xanthones and glycolipids , and intact mechanisms of transformation, were reported by a combination of above chemomics and the simulated processing method. This study provided a rapid and comprehensive guidance to further study on processing procedures, chemical mechanisms, and construction of quality standards.