The Molecular Chain Network Topology And Topology Prediction Effect Of Konjac Glucomannan

Konjac glucomannan(Konjac Glucomanan)is a water-soluble konjac plant exists in an excellent,high molecular weight polysaccharides,with anti-tumor and improve immunity and other functions.Macromolecular topology is the cornerstone of the polymer properties and biological activity.Domestic and international studies on the structure of KGM,only discovered the existence of spiral structure with no in-depth analysis of polymer network topology structure behind its helical conformation may have formed.In KGM study,if its polymer network to promote research,according to its structure may be inferred its new biological properties,from KGM research to promote the role.Formation of polymer network structure of KGM molecules paper attempts to combine molecular simulation methods such as mathematical modeling,preliminary exploration of its structure and topology of the network stable conformation,aims to solve KGM biological functional activity regulation provide the structural basis,especially in some scientific issues related to natural biological macromolecular structure to provide a new approach.This paper attempts to KGM molecular-based structure,trying to analyze KGM basic molecular unit of topological relations,describes the way glucomannan polymer may form the topology of the network.And analyzed according to KGM helical conformation of its chain structure,constructed a mathematical model of its chain structure,and introduced for KGM chain molecules of the maximum likelihood function to analyze the chain topology of its high number of sections affect the stability of the molecular network,its predicted position nodes that may arise and make a stable number of chain links KGM chain.Another possible topology of a polymer network link prediction,selecting a suitable model for comparative analysis of the network connected to the edge.Entanglement is the fundamental reason for the network topology,through molecular simulation(Monte Carlo simulation method)topological effects of konjac glucomannan polymer chain,the generation and analysis of the nature of the chain entanglement.Respectively from the target chain size,shape single strand wire group,the diffusion coefficient and the orientation of the target chain Yu relaxation time,there are five aspects Gauss coefficients to estimate the likelihood of konjac glucomannan polymer chain entanglement generated.The main contents and conclusions of this paper are as follows:1.Through the topology KGM basic molecular analysis unit,which can be drawn in the smallest repeating unit KGM,the number of patches Γ=39;non-bonding orbital number Bn=472.Topological relations high degree of polymerization KGM polymer chain analysis presented similarity comparison.2.Through the construction and simulation KGM molecular chain interaction model can be found in the KGM molecular chain is long enough to form a helical conformation,the interaction will increase,so you can predict that in addition to the nearly range interactions,also produced a remote interaction process in KGM form a spiral conformation gradually formed a network topology.3.From the mathematical model KGM chain conformation can be found,due to the different random number every time simulation generates shape KGM chain conformations are different.But this does not affect the stability of a certain degree of polymerization of inner links of KGM unit conformation.Can be seen from the simulation results,when KGM chain nodes up to 200 or more,the entire chain conformation is stabilized in.We first used the method of random block of predicted at the time of selection n=300 chain conformation in KGM each link length 1=1.53i,the angle between the two adjacent links ω=109° 28 ’the chain structure,when the number of links to 300,will produce no more than 39 adjacent edges between nodes in order to ensure the stability of KGM network.4.Monte Carlo simulation KGM polymer chain we can find,konjac in four different topologies of glucomannan single-stranded molecules of different environments and chains throughout KGM single-stranded molecule significant influence.In the annular base chain environment,the entanglement effect with increasing chain length of the annular base increasingly significant,which makes the movement KGM single chain is strongly dependent on the movement behavior of the substrate adjacent the endless chain.Static properties and dynamic properties of KGM single strand showed quite different.Thus,for KGM chain,the chain end plays a vital role in terms of the polymer chain entanglement.