Stability of the Konjac Glucomannan Topological Chain Based on Quantum Spin Model  

作　　者：倪永升 穆若郡 谭小丹 黄荣勋 袁毅 陈慧斌 庞杰 

机构地区：[1]Key College of Food Science, Fujian Agriculture and Forestry University [2]Third Institute of Oceanography,State Oceanic Administration

出　　处：《Chinese Journal of Structural Chemistry》2017年第6期1043-1048,共6页结构化学（英文）

基　　金：supported by the Natural Science Foundation of China(31271837 and 31471704)

摘　　要：In this paper we investigated the stability of konjac glucomnnan（KGM） chain hydrogen networks based on the quantum spin model. Dissipative particle dynamics method was applied in the structure simulation of KGM. The results reveled that acetyl residues of KGM were bonded with water molecules in aqueous solutions. Increasing the hydrogen bond formation decreases the energy in acetyl system. The expect-valuation of the thermal state with respect to the Hamiltonian is negative. Hence, the total energy of konjac glucomnnan chain with the acetyl groups decreases, which indicates the increasing stability of konjac glucomnnan chain. Our approach could provide a new insight into the investigation on the stability of konjac glucomnnan chain.In this paper we investigated the stability of konjac glucomnnan（KGM） chain hydrogen networks based on the quantum spin model. Dissipative particle dynamics method was applied in the structure simulation of KGM. The results reveled that acetyl residues of KGM were bonded with water molecules in aqueous solutions. Increasing the hydrogen bond formation decreases the energy in acetyl system. The expect-valuation of the thermal state with respect to the Hamiltonian is negative. Hence, the total energy of konjac glucomnnan chain with the acetyl groups decreases, which indicates the increasing stability of konjac glucomnnan chain. Our approach could provide a new insight into the investigation on the stability of konjac glucomnnan chain.

关 键 词：konjac glucanmannan glycan chains quantum spin model hydrogen networks stability 

分 类 号：O636.1[理学—高分子化学] O41[理学—化学]