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In this paper, the hydrogen bonding network models of konjac gluco- mannan (KGM) are predicted in the approach of molecular dynamics (MD). These models have been proved by experiments whose results are consistent with those from simulation. The results show that the hydrogen bonding network structures of KGM are stable and the key linking points of hydrogen bonding network are at the O(6) and O(2) positions on KGM ring. Moreover, acetyl has significant influence on hydrogen bonding network and hydrogen bonding network structures are more stable after deacetylation.
The models have been proof by experiments whose results are consistent with those from simulation. The results show that the hydrogen bonding network structures of KGM are stable and the key linking points of hydrogen bonding network are at the O (6) and O (2) positions on KGM ring. Moreover, acetyl has significant influence on hydrogen bonding network and hydrogen bonding network structures are more stable after deacetylation.