Abstract
This study systematically compared the Pickering emulsifying capacity of four citrus flavonoids (hesperetin, Hpt; hesperidin, Hpd; neohesperidin, Neohpd; neohesperidin dihydrochalcone, Neohpddic) using combined experimental and molecular dynamics (MD) approaches. A stable Hpd-based O/W Pickering emulsion gel was successfully developed. The Hpd rod-shaped particles exhibited the smallest particle size and demonstrated the highest emulsifying activity, primarily arising from its distinct rutinose glycoside group. But molecular dynamics simulation revealed that Hpd could significantly reduce interfacial tension and rapidly migrate to the oil-water interface, forming molecular aggregates via hydrogen bonding, which was consistent with laser confocal scanning microscopy observation. Stable emulsion gels formed when Hpd concentration (w) ≥2 % and oil phase volume fraction (φ) ≥50 %. With the increase of w and φ, the system exhibited enhanced droplet aggregation, and the apparent viscosity, gel strength, and rheological properties significantly ascended, indicating a marked enhancement in emulsion stability.