A sensitive and efficient method for simultaneous quantifying molnupiravir and its active metabolite β-d-N-hydroxycytidine in human plasma was developed by combining chemical derivatization with liquid chromatography-tandem mass spectrometry. Through...
Ensuring the enantiomeric purity of chiral pharmaceuticals is paramount for patient safety and therapeutic efficacy. Upadacitinib (UPA), a vital Janus kinase 1 (JAK-1) inhibitor for rheumatoid arthritis treatment, exemplifies this need. This study re...
Broccoli stem is known to possess abundant polyphenols. To efficiently extract polyphenols from broccoli stems, we herein describe an updated deep eutectic solvent extraction (DESE) method. Response surface modeling was utilized for optimization of t...
ETHNOPHARMACOLOGICAL RELEVANCE: For centuries, propolis has been one of the most important and popular antimicrobial (antibacterial and antifungal) agents used in traditional medicine worldwide, including Central and Eastern Europe. Despite centuries...
Journal of chemical information and modeling
40152775
Accurate retention time (RT) prediction in liquid chromatography remains a significant consideration in molecular analysis. In this study, we explore the use of a transformer-based language model to predict RTs by treating simplified molecular input ...
Chiral mobile phase additive (CMPA) technique is an attractive method for chromatographic enantioseparation of chiral analytes. However, establishing chromatographic separation and analysis methods for given chiral analytes often requires extensive t...
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
40120454
The application of artificial intelligence in traditional Chinese medicine (TCM) has become a hot topic in the scientific community. American ginseng (AG), a perennial herb with a rich history, is widely utilized in clinical settings due to its diver...
Machine learning (ML) tools offer new opportunities in drug discovery, especially for enhancing our understanding of molecular interactions with biological systems. This study develops a comprehensive quantitative structure-retention relationship (QS...
Journal of pharmaceutical and biomedical analysis
40187127
An innovative, integrated strategy was developed for rapid and comprehensive quality assessment of Ligusticum chuanxiong Hort., the key raw material for Guanxinning tablets. This approach simultaneously evaluates both chemical composition and biologi...
To study the differences in the urine metabolome between pediatric patients with severe Mycoplasma pneumoniae pneumonia (SMPP) and those with general Mycoplasma pneumoniae pneumonia (GMPP) via non-targeted metabolomics method, and potential biomarker...