金属离子对魔芋葡甘聚糖分子链拓扑网络结构的影响研究

Influences of Metal Ions on the Network Topological Structure of Konjac Glucomannan Chain

以魔芋葡甘聚糖分子链和金属离子的相互作用为基础,探讨金属离子与魔芋葡甘聚糖功能的调控关系.运用分子动力学模拟魔芋葡甘聚糖分子和金属离子作用位点,结合拓扑学进行分析,并对结果进行红外光谱图验证.结果表明拓扑分析能在一定程度上简化魔芋葡甘聚糖链空间结构描述,对葡甘聚糖为主体的金属离子络合物结合位点进行定位预测从而对其功能进行调控.

Based on the interaction between the konjac glucomannan（KGM）chain and metal ions,the regulation and control of metal ions and KGM function are discussed.Molecular dynamics is employed to simulate the action site of KGM molecules and metal ions,and topology analysis is made.The results are verified with infra-red spectrogram.It is shown that topology analysis can,to a certain extent,simplify the description of the spatial structure of KGM chain and the location prediction of the binding site of metal ion complexes,mainly KGM,thus regulating and controlling its functions.