The influence of water on protein conformation was investigated by simulating the molecular dynamics of a model protein lysozyme in different water systems.The lysozyme-water system with TIP3P water model and lysozyme...The influence of water on protein conformation was investigated by simulating the molecular dynamics of a model protein lysozyme in different water systems.The lysozyme-water system with TIP3P water model and lysozyme-water cluster system with six-ring water model were evaluated.In addition,the radial distribution function of solvent around lysozyme was calculated.It is found that the distribution of water molecules around lysozyme is similar to that of water clusters.The analyses of dihedral angles and disulfide bonds of lysozyme show that the conformation of lysozyme is severely damaged in the lysozyme-water cluster system compared with that in the lysozyme-water system.This difference can be attributed to the formation of larger number of intermolecular hydrogen bonds between lysozyme and water cluster.It is in agreement with the analysis that water clusters can change the degree of denaturation in the process of heat denaturation of lysozyme.展开更多
Molecular dynamics simulation with an all-atom force field has been carded out on the two binary sys- tems of [bmim][PF6]-CO2 and [bmim][NO3]-CO2 to study the transport properties, volume expansion and micro- structur...Molecular dynamics simulation with an all-atom force field has been carded out on the two binary sys- tems of [bmim][PF6]-CO2 and [bmim][NO3]-CO2 to study the transport properties, volume expansion and micro- structures. It was found that addition of CO2 in the liquid phase can greatly decrease the viscosity of ionic liquids （ILs） and increase their diffusion coefficient obviously. Furthermore, the volume expansion of ionic liquids was found to increase with the increase of the mole fraction of CO2 in the liquid phase but less than 35% for the two simulated systems, which had a significant difference with CO2 expanded organic solvents. The main reason was that there were some void spaces inter and intra the molecules of ionic liquids. Finally, site to site radial distribution functions and corresponding number integrals were investigated and it was found that the change of microstructures of ILs bv addition CO2 had a great influence on the orooerties of ILs.展开更多
Fuzzy logic controller adopting unevenly-distributed membership function was presented with the purpose of enhancing performance of the temperature control precision and robustness for the chamber cooling system.Histo...Fuzzy logic controller adopting unevenly-distributed membership function was presented with the purpose of enhancing performance of the temperature control precision and robustness for the chamber cooling system.Histogram equalization and noise detection were performed to modify the evenly-distributed membership functions of error and error change rate into unevenly-distributed membership functions.Then,the experimental results with evenly and unevenly distributed membership functions were compared under the same outside environment conditions.The experimental results show that the steady-state error is reduced around 40% and the noise disturbance is rejected successfully even though noise range is 60% of the control precision range.The control precision is improved by reducing the steady-state error and the robustness is enhanced by rejecting noise disturbance through the fuzzy logic controller with unevenly-distributed membership function.Moreover,the system energy efficiency and lifetime of electronic expansion valve(EEV) installed in chamber cooling system are improved by adopting the unevenly-distributed membership function.展开更多
This Paper has first studied the simplified model of tubular heat exchanger which is widely used in the industry and other field.On the basis of reference 2,a new pole assignment design method of pro-cess control syst...This Paper has first studied the simplified model of tubular heat exchanger which is widely used in the industry and other field.On the basis of reference 2,a new pole assignment design method of pro-cess control system with derivative control action is found.For the above system,the method and the for-mation which calculate the feedback matrix K and gain matrix L is given,and the simulation of the system is made.展开更多
This paper considers finite-time χ-consensus problem for a multi-agent system with firstorderindividual dynamics and switching interaction topologies.Several distributed finite-time consensusrules are constructed for...This paper considers finite-time χ-consensus problem for a multi-agent system with firstorderindividual dynamics and switching interaction topologies.Several distributed finite-time consensusrules are constructed for multi-agent dynamics in a unified way with the help of Lyapunovfunction and graph theory as well as homogeneity.Time-invariant non-smooth forms of finite-timeneighbor-based controllers are proposed and a numerical example is shown for illustration.展开更多
In this paper we consider a generalize dynamic entropy measure and prove that this mea- sure characterizes the distribution function uniquely. Also we propose cumulative resi- dual R^nyi entropy of order statistics an...In this paper we consider a generalize dynamic entropy measure and prove that this mea- sure characterizes the distribution function uniquely. Also we propose cumulative resi- dual R^nyi entropy of order statistics and prove that it also determines the distribution function uniquely. Applications of entropy concepts to DNA sequence analysis, the ulti- mate support for the biological systems, have been widely explored by researchers. The entropy measures discussed here can be applied for analysis of ordered DNA sequences.展开更多
基金Supported by National Natural Science Foundation of China (No. 20676094)
文摘The influence of water on protein conformation was investigated by simulating the molecular dynamics of a model protein lysozyme in different water systems.The lysozyme-water system with TIP3P water model and lysozyme-water cluster system with six-ring water model were evaluated.In addition,the radial distribution function of solvent around lysozyme was calculated.It is found that the distribution of water molecules around lysozyme is similar to that of water clusters.The analyses of dihedral angles and disulfide bonds of lysozyme show that the conformation of lysozyme is severely damaged in the lysozyme-water cluster system compared with that in the lysozyme-water system.This difference can be attributed to the formation of larger number of intermolecular hydrogen bonds between lysozyme and water cluster.It is in agreement with the analysis that water clusters can change the degree of denaturation in the process of heat denaturation of lysozyme.
基金Supported by the National Natural Science Foundation of China(20976026,20976028)the Natural Science Foundation of Liaoning Province(20102030,20031072)
文摘Molecular dynamics simulation with an all-atom force field has been carded out on the two binary sys- tems of [bmim][PF6]-CO2 and [bmim][NO3]-CO2 to study the transport properties, volume expansion and micro- structures. It was found that addition of CO2 in the liquid phase can greatly decrease the viscosity of ionic liquids （ILs） and increase their diffusion coefficient obviously. Furthermore, the volume expansion of ionic liquids was found to increase with the increase of the mole fraction of CO2 in the liquid phase but less than 35% for the two simulated systems, which had a significant difference with CO2 expanded organic solvents. The main reason was that there were some void spaces inter and intra the molecules of ionic liquids. Finally, site to site radial distribution functions and corresponding number integrals were investigated and it was found that the change of microstructures of ILs bv addition CO2 had a great influence on the orooerties of ILs.
文摘Fuzzy logic controller adopting unevenly-distributed membership function was presented with the purpose of enhancing performance of the temperature control precision and robustness for the chamber cooling system.Histogram equalization and noise detection were performed to modify the evenly-distributed membership functions of error and error change rate into unevenly-distributed membership functions.Then,the experimental results with evenly and unevenly distributed membership functions were compared under the same outside environment conditions.The experimental results show that the steady-state error is reduced around 40% and the noise disturbance is rejected successfully even though noise range is 60% of the control precision range.The control precision is improved by reducing the steady-state error and the robustness is enhanced by rejecting noise disturbance through the fuzzy logic controller with unevenly-distributed membership function.Moreover,the system energy efficiency and lifetime of electronic expansion valve(EEV) installed in chamber cooling system are improved by adopting the unevenly-distributed membership function.
文摘This Paper has first studied the simplified model of tubular heat exchanger which is widely used in the industry and other field.On the basis of reference 2,a new pole assignment design method of pro-cess control system with derivative control action is found.For the above system,the method and the for-mation which calculate the feedback matrix K and gain matrix L is given,and the simulation of the system is made.
基金supported in part by the National Natural Science Foundation of China under Grant Nos.60874018,60736022, and60821091
文摘This paper considers finite-time χ-consensus problem for a multi-agent system with firstorderindividual dynamics and switching interaction topologies.Several distributed finite-time consensusrules are constructed for multi-agent dynamics in a unified way with the help of Lyapunovfunction and graph theory as well as homogeneity.Time-invariant non-smooth forms of finite-timeneighbor-based controllers are proposed and a numerical example is shown for illustration.
文摘In this paper we consider a generalize dynamic entropy measure and prove that this mea- sure characterizes the distribution function uniquely. Also we propose cumulative resi- dual R^nyi entropy of order statistics and prove that it also determines the distribution function uniquely. Applications of entropy concepts to DNA sequence analysis, the ulti- mate support for the biological systems, have been widely explored by researchers. The entropy measures discussed here can be applied for analysis of ordered DNA sequences.
