Integrated strategy based on high‐resolution mass spectrometry coupled with multiple data mining techniques for the metabolic profiling of Xanthoceras sorbifolia Bunge husks in rat plasma, urine, and feces

Abstract

An integrated strategy based on high-resolution mass spectrometry coupled with multiple data mining techniques was developed to screen the metabolites in rat biological fluids after the oral administration of Xanthoceras sorbifolia Bunge husks. Mass defect filtering, product ion filtering, and neutral loss filtering were applied to detect metabolites from the complex matrix. As a result, 55 metabolites were tentatively identified, among which 45 barrigenol-type triterpenoid metabolites were detected in the feces, and six flavonoids and four coumarins metabolites were in the urine. Moreover, eight prototype constituents in plasma, 36 in urine and 23 in feces were also discovered. Due to the poor bioavailability of barrigenol type triterpenoids, most of them were metabolized by intestinal flora. Phase I metabolic reactions such as deglycosylation, oxidation, demethylation, dehydrogenation, and internal hydrolysis were supposed to be their principal metabolic pathways. Coumarins were found in all the biosamples, whereas flavonoids were mainly in the urine. Unlike the saponins, they were mainly metabolized through phase II metabolic reactions like glucuronidation and sulfonation, which made them eliminated more easily by urine. This work suggested the metabolic profile of X. sorbifolia husks for the first time, which will be very valuable for its further development.

Chemometrics Feasibility for Modelling Chromatographic Behavior of Diazepam using Linear and Non-Linear Techniques: A Data Mining Based Approach

“…G. Usman, Ahmad, et al, 2021). The first one involves the global structures, which aimed at modelling the distribution inform of regression, shapes, features present in the shape as well as classification (Rong et al, 2018). The second one involves the small scale or sometimes considered as the local structures, which mainly focused on modelling and detecting some anomalies as well as decide if there is high performance for fitness to decide whether there is chance for their occurrence (Bala et al, 2023;Rezaei-Darzi et al, 2014; A. G. .…”

“…The second one involves the small scale or sometimes considered as the local structures, which mainly focused on modelling and detecting some anomalies as well as decide if there is high performance for fitness to decide whether there is chance for their occurrence (Bala et al, 2023;Rezaei-Darzi et al, 2014; A. G. . Data mining has been in existence for long, which is recently known as derogatory way, fishing through data and trawling Abba, Benaafi, Usman, Ozsahin, et al, 2023;Jibril, Zayyan, et al, 2023;Madaki et al, 2022;Pham et al, 2019;Rong et al, 2018;A. G. Usman, Ghali, et al, 2022;D.…”

Simultaneous quantification of five bioactive 16-deoxybarringtogenol C triterpenoid saponins in rat plasma by HPLC-MS: Application to a pharmacokinetic study after oral administration of Xanthoceras sorbifolia Bunge husks extract

“…At present, a variety of chemicals have been discovered in the husk, such as saponins, flavonoids, coumarins, sterols, and so on [8,[14][15][16]. Among them, the rich barrigenol type triterpenoid saponins are the typical bioactive ingredients and mainly responsible for producing neuroprotective effect.…”