A novel molecular simulation method for evaluating the endothermic transition of amylose recrystallite

Interaction forces that caused the formation of amylose recrystallite and led to the enthalpy change of the recrystallite were studied. Results obtained from differential scanning calorimetry (DSC) in combination with molecular simulation showed that the amylose recrystallite was formed and the volume of amylose fractions decreased as the short-term retrogradation occurred. This volume decrease indicated that a disordered conformation of amylose fractions was transformed to an ordered one. It was further confirmed that the formation of ordered configuration and the enthalpy change that occurred in DSC measurement for amylose recrystallite were related to a decrease in bonded interaction energy and an increase in Van der Waals attraction and hydrogen bonds formed.

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