陶瓷膜微滤过程中小檗碱与高分子物质相互作用的初步研究

Objective To explore the effect of macromolecule on the mass transfer process of berberine during membrane separation. Methods The membrane filtration experiment combined with molecular dynamics simulation were used to analyse and predict the interaction between micromolecule effective substance and the macromolecule commonly existed in the water extract of Chinese material medica. Firstly, the mixed simulation solution of berberine and macromolecule was prepared to carry out the membrane separation experiment. The transmittance and adsorption rate of berberine, the rejection and adsorption rate of macromolecule was determined to analyse the effect of macromolecule on the transmittance of berberine in the membrane filtration process. Then, the molecular dynamics simulation software was used to establish simulation system to calculate the interaction between berberine and macromolecule, so as to analyse the effect of macromolecule on the mass transfer process of berberine. Results The permeability of berberine was significantly reduced after being mixed with the macromolecule. The total interaction energy between protein, starch, pectin and berberine was calculated as -122.723 3, -83.613 0, and -125.815 9 kJ/mol, respectively. The interaction energy between starch and berberine was minimum, and the interaction energy between protein and berberine was similar as that between pectin and berberine. Conclusion In membrane separation process, the interaction between the macromolecule and berberine is the main factor affecting the mass transfer process of berberine, and the strength of the interaction results in the difference in the permeability of berberine.