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The simulation on self-aggregated glycyrrhizin structures

Y. G. Wang, X. X. Dai, X. Y. Shi, Y. J. Qiao


Glycyrrhizin is a kind of saponin natural surfactant that have been widely applied in many fields. In this study, the aggregation behavior of glycyrrhizin completed within several milliseconds was elaborated by MesoDyn simulation and validated by experiments. The dynamic changing process of micelle formation was observed. Moreover, the effects of insoluble components, concentration and temperature were analyzed. The results indicated that the increased concentration and the addition of insoluble components were conducive to the aggregation, while increased temperature led to a delay in phase separation. The as-formed micelles were further found to be stable to the change of temperature. The simulation results of glycyrrhizin micelles agreed well with experimental data, suggesting that MesoDyn might provide a powerful tool for researching saponins natural surfactant.


Glycyrrhizin, Saponins natural surfactant, Aggregation, Micelle, Mesoscopic simulation.

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