The local maxima of water density in the space near the single-helical of Konjac glucomannan,as well as the do...
Jie PANG 1,Wenjie JIAN 1,2,Minna YAO 1,Huimin LIN 1,Aijun FENG 1,Yuan ZENG 1 (1 College of Food Science,Fujian Agriculture and Forestry University,Fuzhou 350002,China
Structures of KGM treated in two high-voltage pulse electric fields were characterized by infrared spectroscopy,Raman spectroscopy,X-ray diffraction and so on.The results showed that intermolecular hydrogen bonding interactions of KGM were reduced after being treated with high-voltage pulse electric field,but there was no significant effect on its fiber chain form and thermal characteristics.Results of the study can provide a useful reference for further study on the structure and property of KGM,and especially can provide theoretical basis for the effect of physical field on the foodstuff deep processing related to KGM.
To know the effects of irradiation on the konjac glucomannan （KGM） molecular chain membrane, KGM membrane solution was treated with the irradiation dose of 0-20 kGy in this study, and the structure and properties of KGM membrane were analyzed with Infrared spectrum, Raman spectrum, X-ray, SEM scanning and so on. The results revealed that the effects of different irradiation doses on the KGM molecular chain structure were different. Higher irradiation dose （20 kGy） resulted in partial damage against KGM membrane crystal structure, and there was no obvious change for the amorphous structure; with membrane property test, the tensile strength of KGM membrane gradually increased with the increase of irradiation dose and its elongation at break reduced, but these changes were not significant, WVP value reduced; with SEM, the membrane surface treated with irradiation was smoother even than the membrane without treatment. In addition, when increasing the irradiation dose, membrane surface became more even, and arrangement was more orderly and compact. KGM membrane nrooerties, and it is an ideal Irradiation modification could effectively improve the modification method.
The formation mechanism and stability of konjac glucomannan （KGM） helical structure were investigated by molecular dynamic simulation and experimental method. The results indicate that the molecular conformation of KGM is a non-typical helical structure. In detail, helical structure of KGM is mainly sustained by acetyl group, whose size and stability are affected by the molecular polymerization degree of KGM. In vacuum among the non-bonding interactions, electrostatic force is the greatest factor affecting its helical structure, but in water solution, hydrogen bond affects the helical arrangement greatly. To our interest, temperature exhibits a reversible destroying effect to some extent; the helical structure will disappear completely and present a ruleless clew-like arrangement till 341 K. This work suggests that the method of combining molecular dynamic simulation and experiment tools can be effective in the study of KGM helical structure.
In this work, the formation sites, helical parameters and hydrogen bond positions of Konjac glucomannan molecular helices were investigated using molecular dynamic simulation method. To our interest, the KGM chain is mainly composed by local left and right helix struetttres. The formation sites of KGM chain might locate at the chain-segments containing acetyl groups, and the left helix is the favorable conformation of KGM. Temperature-dependent molecule conformation study indicates that the right helix is dominant when the temperature is lower than 343 K, above which, however, the left helix is dominating （right helix disappears）. In addition, intramolecular hydrogen bonds in the left helix can be found at the -OH groups on C（2）, C（4） and C（6） of mannose residues; comparably, the intramolecular hydrogen bonds in the right helix can be mainly observed at the -OH groups on C（4） and C（6） of the mannose residues and C（3） of the glucose residues. In conclusion, molecular dynamic simulation is an efficient method for the microscopic conformation study of glucomannan molecular helices.
The interactions between konjac glucomannan（KGM） and soy protein isolate （SPI） were studied with the method of molecular dynamics simulation. Part representative structures segments of KGM and SPI were used as mode, and the force-field was FF03. The stability and sites of KGM/SPI interactions in water were researched at 363 K with the following results： the potential energy （EPOT） of the mixed gel dropped, while that of single KGM gel increased. The surface area （SA） of KGM in the mixed system was decreased to 401.41 from 1 267.54 Az, and that of SPI to 484.94 from 1 943.28 A2. The sum potential energy of KGM and soy protein in the mixed system was decreased to -13 402.41 from -5 768.56 kcal mol^-1. The variations of two parameters showed that the stability of compound gel KGM/SPI was improved, which was consistent with the previous studies. The sites of interactions in the mixed gel were the -OH groups on C（2） in KGM mannose and glucose, and the amide linkage group on Histidine, Asparagine and Leucine in SPI. The hydrogen bond was formed directly or indirectly by the bridge of waters.
WANG MengYAO Min-naJIAN Wen-lieSUN Yu-jingPANG Jie
The local maxima of water density in the space near the single-helical of Konjac glucomannan as well as the dominant conformation of the system was studied by molecular dyna-mics under the water environment. The results indicate that the hydration shell,potential energy,and its hydrogen bond network with water bridges of the left-handed single-helix conformation was favored compared to those of right-handed single-helix conformation. This work suggests that the left-handed single-helix conformation was the dominant conformation of KGM in the water environment.
