Molecular Dynamics Simulations of the Interactions between Konjac Glucomannan and Carrageenan

The interactions between konjac glucomannan and carrageenan were studied with the method of molecular dynamics simulation.Part representative structure segments of KGM and two unit structures of Κ-carrageenan(Fig.2)were used as mode,and the force-field was AMBER2.The stability and sites of konjac glucomannan/carrageenan interactions in water were researched at 373 K with the following results:the potential energy(EPOT)of the mixed gel was dropped,while those of single-konjac glucomannan gel and single carrageenan were increased.The surface area (SA)of KGM in the mixed system was decreased to 1002.2(A)2,and that of carrageenan to 800.9(A)2.The variations of two parameters showed that the stability of compound gel konjac glucomannan/carrageenan was improved,which is consistent with the previous studies.The sites of interactions in the mixed gel were the-OH groups on C(2),C(4)and C(6),the acetyl group in KGM mannose,and the-OH group on C(6)in carrageenan.The hydrogen bond Was formed directly or indirectly by the bridge of waters.