An integrated strategy using UPLC–QTOF-MSE and UPLC–QTOF-MRM (enhanced target) for pharmacokinetics study of wine processed Schisandra Chinensis fructus in rats

Abstract

Currently the pharmacokinetic (PK) research of herbal medicines is still limited and facing critical technical challenges on quantitative analysis of multi-components from biological matrices which often accompanied by lacking of authentic standards and low concentration. This present work contributes to the development of an integrated strategy for extensive pharmacokinetics assessments, and a selective and sensitive method independent of authentic standards for multi-components analysis based on the use of ultra-performance liquid chromatography/quadrupole-time-of-flight/MS (UPLC-TOF-MS) and UPLC-TOF-MRM (rnhanced target). Initially, phytochemicals were identified by UPLC-TOF-MS analysis, subsequently the identified components were matched with authentic standards and pre-classified, and UPLC-QTOF-MRM method optimized and developed. To guarantee reliable results, three rules are necessary: (1) detection with a mass error of less than 5ppm; (2) same class chemical compositions with structural high similarity between analytes with and without authentic reference substance; (3) a matching retention time between TOF-MRM mode and TOF-MS within 0.2min. The developed and validated method was applied for the simultaneous determination of 12 lignans in rat plasma after administered with wine processed Schisandra Chinensis fructus (WPSCF) extract. Such an approach was found capable of providing extensive pharmacokinetic profiles of multi-components absorbed into blood after oral administrated with WPSCF extract. The results also indicated that significant difference in pharmacokinetics parameters of dibenzocyclooctadiene lignans was observed between schizandrin and gomisin compounds. For lignans, the absorption via gastrointestinal tract were all rapid and maintained relatively long retention time, especially for schisantherin A and schisantherin B with higher plasma exposure.

Qualitative and quantitative determination of YiXinShu Tablet using ultra high performance liquid chromatography with Q Exactive hybrid quadrupole orbitrap high-resolution accurate mass spectrometry

“…Overall, a total of 105 compounds were identified or tentatively characterized from YXS Tablet. These compounds include 25 phenanthraquinones, 11 lactones, 19 lignans, 24 acids, and 26 other compounds [13][14][15][16][17][18][19][20][21][22]. Their retention times, molecular formulas, high-resolution MS data, and high-resolution MS 2 fragment ions are summarized in Table 1.…”

Differential genes and microbiota revealed by serum metabolomics of obese rats after intervention by Rhizoma Coptidis

“…Integrating systems biology reveals an e cient method for investigating the etiology of complex metabolic diseases, particularly the application of metabolomics in gut microbiota research [23]. The bacteria producing short-chain fatty acids are regulated by berberine in Wistar rats [24].…”

Simultaneous quantification of urinary purines and creatinine by ultra high performance liquid chromatography with ultraviolet spectroscopy and quadrupole time‐of‐flight mass spectrometry: Method development, validation, and application to gout study

“…Although the sensitivity of multiple reaction monitoring is excellent, its main shortcoming is the lack of accurate mass data for structural elucidation . Alternatively, quadrupole time‐of‐flight mass spectrometry (Q‐TOF‐MS) provides both qualitative and quantitative information with high mass accuracy, which helps to improve the analytical specificity for subsequent quantification .…”