The aim of this study was to quantify the total extraction yield (GEY) of polyphenols from pomegranate peels using a solid–liquid extraction process without evaporation but with UV-Vis spectrophotometry. Extraction kinetics models were tested to evaluate the extract yield (GEY), total phenolic compounds (TPCs), total flavonoids (TFCs), and condensed tannins (CTCs). The results showed maximum values of 45% for GEY, 97.560 mg EAG/g db for TPC, 4.416 mg EQ/g db for TFC, and 0.412 mg EC/g db for CTC, obtained with a methanol/water mixture (75/25, v/v) for 24 h. Spectrophotometry proved to be a reliable method for quantifying the total extraction yield, with a correlation of 99.79% compared to the conventional method. The second-order kinetic model accurately described the mass transfer mechanisms of the bioactive compounds studied. This study provides important insights into the mass transfer mechanisms during the extraction of bioactive compounds, facilitating the design, optimization, and control of large-scale processes for the recovery of pomegranate waste.

An asymmetric synthesis is a favorable approach for obtaining enantiomerically pure substances, but racemic resolution remains an efficient strategy. This study aims to elucidate the chiral resolution of aromatic amino acids and their elution order using glycopeptides as chiral selectors through molecular docking analysis. Chiral separation experiments were conducted using Vancomycin as a chiral additive in the mobile phase (CMPA) at various concentrations, coupled with an achiral amino column as the stationary phase. The Autodock Vina 1.1.2 software was employed to perform molecular docking simulations between each enantiomer (ligand) and Vancomycin (receptor) to evaluate binding affinities, demonstrate enantiomeric resolution feasibility, and elucidate chiral recognition mechanisms. Utilizing Vancomycin as CMPA at a concentration of 1.5 mM enabled the separation of tryptophan enantiomers with a resolution of 3.98 and tyrosine enantiomers with a resolution of 2.97. However, a poor chiral resolution was observed for phenylalanine and phenylglycine. Molecular docking analysis was employed to elucidate the lack of separation and elution order for tryptophan and tyrosine enantiomers. By calculating the binding energy, docking results were found to be in good agreement with experimental findings, providing insights into the underlying mechanisms governing chiral recognition in this system and the interaction sites. This comprehensive approach clarifies the complex relationship between chiral discrimination and molecular architecture, offering valuable information for creating and improving chiral separation protocols.