The influence of additive Konjac Glucomannan （KGM） in a variety of con- centrations on the crystallization morphology and structure of calcium oxalate （CaOxa） has been investigated by infrared spectroscopy, scanning electron microscope, X-ray diffraction and so on. The results showed KGM can complex with the Ca^2＋ ions; low concentration KGM prevents CaOxa from aggregating, raises the concentration of ions in the solution, reduces the quantity of crystals and inhibits their growth, and the crystals are round and blunt; while high concentration KGM promotes the growth of crystal, which appears in sheet-like or irregular shape. Only CaOxa monohydrate was observed in a certain system with or without the presence of KGM.
Konjac glucomannan （KGM） was aminated by 2-chloroethyl-amine （CEA） as reagent so as to study the influence of concentration of CEA （based on the amount of KGM）, concentration of NaOH, reaction time and temperature on the extent of amination. And the molecular simulation technology was adopted to analyze the conformation stability of aminate （AKGM）. The results indicate that when the amount of CEA is higher, the extent of amination is higher. The optimum concentration of NaOH, reaction time and temperature are 10% NaOH, 70 ℃ and 45 rain, respectively. IR shows KGM is successfully aminated. The conformation of AKGM is in a random clew-like shape.
WANG Li-XiaWEN Cheng-RongWU JingLIN Hai-DongHU Shu-GuoPANG Jie
Konjac glucomannan （KGM） and sodium alginate were chosen as the research objects, and the hydrogen bond conformation of compound system was studied with the molecular dynamics simulation, which simulated the energy variety in composite process. Combining with Hamiltonian in quantum mechanics calculation, the mechanism of hydrogen bond in KGM and sodium alginate compound system stability was analyzed from a micro angle. The results showed that, the hydrogen bonds occurring between the molecule of KGM and sodium alginate are in large number, and they mainly appeared between the -OH on C（6）, C（3） in the mannose residues of KGM and C（2）, C（3） of sodium alginate. The formation of hydrogen bonds results in the energy expectation value of the Hamiltonian thermal density matrix of the compound system to be negative, the energy of the system to decrease, and the compounds tending to form stable conformations.
MA ZhenPANG JieLIN Mei-LingXIE Bing-QingCHEN HanCHEN Jing-Ling
