The reactions of exo-cellulase （cellobiohydrolase, CBH） and endo-cellulase （endoglucanase, EG） were investigated by analyzing the insoluble residues of microcrystalline cellulose （MCC） and filter paper cellulose...The reactions of exo-cellulase （cellobiohydrolase, CBH） and endo-cellulase （endoglucanase, EG） were investigated by analyzing the insoluble residues of microcrystalline cellulose （MCC） and filter paper cellulose （FPC） during enzymatic hydrolysis. Molecular parameters including molecular weight and its distribution, degree of polymerization, and radii of gyration were measured by size exclusion chromatography coupled with multi-angle laser light scattering. No significant change in MCC chains was found during the whole reaction period, indicating that CBH digestion follows a layer-by-layer solubilization manner. This reaction mode might be the major reason for slow enzymatic hydrolysis of cellulose. On the other hand, the degree of polymerization of FPC chains decreases rapidly in the initial reaction, indicating that EG digestion follows a random scission manner, which may create new ends for CBH easily. The slopes of the conformation plots for MCC and FPC increase gradually, indicating stronger chain stiffness of cellulose during hvdrolvsis展开更多
Previous studies have shown that children learn from educational television; however, these studies have not explored how closely the educational content of the program is integrated to the narrative. The following st...Previous studies have shown that children learn from educational television; however, these studies have not explored how closely the educational content of the program is integrated to the narrative. The following study uses a systematic content analysis of 100 top-rated U.S. children＇s television programs to explore the tangential relationship （i.e., distance） of narrative and educational content through the lens of the capacity model--which is built upon three basic components： narrative content, educational content, and the distance between them. Programs were analyzed for distance by examining lesson clarity and integration, show type, target audience age, and station type. One-way ANOVAs indicates significant differences between the means of these variables. Programs targeting younger children presented educational content that was closely integrated into the plotline of the program and helped further the story. However, as the target audience aged, the educational content became more tangential to the narrative content and was less tied to the plotline of the program.展开更多
The endochronic equations proposed by Valanis (1980) were extended to a finite deformation range. Jaumanns rate, Fus rate and Wus rate were incorporated into the endochronic equations to analyze simple shear finite de...The endochronic equations proposed by Valanis (1980) were extended to a finite deformation range. Jaumanns rate, Fus rate and Wus rate were incorporated into the endochronic equations to analyze simple shear finite deformation. Incremental equations and numerical solutions are deduced for three endochronic objective models. The results show that an oscillatory shear stress response to a monotonically increasing shear strain occurs when the Jaumanns rate objective model is employed for endochronic materials. The oscillatory response is dependent on the adopted objective rate. Compared with the Jaumanns rate, the Fus rate and the Wus rate satisfy the restrictions to elastic-plastic constitutive relations and are in agreement with the experimental results.展开更多
The binding of Endonuclease colicin 9 (E9) by Immunity protein 9 (Im9) was found to involve some hotspots from helix III of Im9 on protein-protein interface that contribute the dominant binding energy to the complex.I...The binding of Endonuclease colicin 9 (E9) by Immunity protein 9 (Im9) was found to involve some hotspots from helix III of Im9 on protein-protein interface that contribute the dominant binding energy to the complex.In the current work,MD simulations of the WT and three hotspot mutants (D51A,Y54A and Y55A of Im9) of the E9-Im9 complexes were carried out to investigate specific interaction mechanisms of these three hotspot residues.The changes of binding energy between the WT and mutants of the complex were computed by the MM/PBSA method using a polarized force field and were in excellent agreement with experiment values,verifying that these three residues were indeed hotspots of the binding complex.Energy decomposition analysis revealed that binding by D51 to E9 was dominated by electrostatic interaction due to the presence of the carboxyl group of Asp51 which hydrogen bonds to K89.For binding by hotspots Y54 and Y55,van der Waals interaction from the aromatic side chain of tyrosine provided the dominant interaction.For comparison,calculation by using the standard (nonpolarizable) AMBER99SB force field produced binding energy changes from these mutations in opposite direction to the experimental observation.Dynamic hydrogen bond analysis showed that conformations sampled from MD simulation in the standard AMBER force field were distorted from the native state and they disrupted the inter-protein hydrogen bond network of the protein-protein complex.The current work further demonstrated that electrostatic polarization plays a critical role in modulating protein-protein binding.展开更多
Normally large amounts of particles are required to accurately simulate the metal cutting process,which consumes a lot of computing time and storage.Adaptive techniques can help decrease the number of particles,hence ...Normally large amounts of particles are required to accurately simulate the metal cutting process,which consumes a lot of computing time and storage.Adaptive techniques can help decrease the number of particles,hence reducing the runtime.This paper presents a novel adaptive smoothed particle hydrodynamics(SPH)method for the metal cutting simulation.The spatial resolution changes adaptively according to the distance to the tool tip by the particle splitting and merging.More particles are selected in the region where the workpiece and the tool are in contact.Since the contact region constantly changes during the cutting process,two quadrilateral frames are adopted in the adaptive algorithm to dynamically change the distribution of particles.One frame for the refinement,the other for the coarsening.These frames move at the same speed as the tool.To test the computational efficiency,the metal cutting process is simulated by using SPH with three different adaptive approaches.Numerical results show that the proposed adaptive algorithm with dynamic refinement and coarsening can significantly optimize the runtime.展开更多
基金Supported by the National Natural Science Foundation of China （20976130 and 20806057）, National Science and Technology Pillar Program of China （2007BAD42B02）, Program for New Century Excellent Talents in University of Ministry of Education of China （No. NCET-08-0386）, and the R＆D program of Tianjin Binhai New Area （2010-BK17C004）..
文摘The reactions of exo-cellulase （cellobiohydrolase, CBH） and endo-cellulase （endoglucanase, EG） were investigated by analyzing the insoluble residues of microcrystalline cellulose （MCC） and filter paper cellulose （FPC） during enzymatic hydrolysis. Molecular parameters including molecular weight and its distribution, degree of polymerization, and radii of gyration were measured by size exclusion chromatography coupled with multi-angle laser light scattering. No significant change in MCC chains was found during the whole reaction period, indicating that CBH digestion follows a layer-by-layer solubilization manner. This reaction mode might be the major reason for slow enzymatic hydrolysis of cellulose. On the other hand, the degree of polymerization of FPC chains decreases rapidly in the initial reaction, indicating that EG digestion follows a random scission manner, which may create new ends for CBH easily. The slopes of the conformation plots for MCC and FPC increase gradually, indicating stronger chain stiffness of cellulose during hvdrolvsis
文摘Previous studies have shown that children learn from educational television; however, these studies have not explored how closely the educational content of the program is integrated to the narrative. The following study uses a systematic content analysis of 100 top-rated U.S. children＇s television programs to explore the tangential relationship （i.e., distance） of narrative and educational content through the lens of the capacity model--which is built upon three basic components： narrative content, educational content, and the distance between them. Programs were analyzed for distance by examining lesson clarity and integration, show type, target audience age, and station type. One-way ANOVAs indicates significant differences between the means of these variables. Programs targeting younger children presented educational content that was closely integrated into the plotline of the program and helped further the story. However, as the target audience aged, the educational content became more tangential to the narrative content and was less tied to the plotline of the program.
文摘The endochronic equations proposed by Valanis (1980) were extended to a finite deformation range. Jaumanns rate, Fus rate and Wus rate were incorporated into the endochronic equations to analyze simple shear finite deformation. Incremental equations and numerical solutions are deduced for three endochronic objective models. The results show that an oscillatory shear stress response to a monotonically increasing shear strain occurs when the Jaumanns rate objective model is employed for endochronic materials. The oscillatory response is dependent on the adopted objective rate. Compared with the Jaumanns rate, the Fus rate and the Wus rate satisfy the restrictions to elastic-plastic constitutive relations and are in agreement with the experimental results.
基金the National Natural Science Foundation of China(21003048,10974054,and 20933002)Shanghai PuJiang Program (09PJ1404000) for financial support XXY is also supported by "Scientific Research Foundation for Agricultural Machinery Bureau of Jiangsu Province (gxz10008)"CGJ is also supported by "the Fundamental Research Funds for the Central Universities"
文摘The binding of Endonuclease colicin 9 (E9) by Immunity protein 9 (Im9) was found to involve some hotspots from helix III of Im9 on protein-protein interface that contribute the dominant binding energy to the complex.In the current work,MD simulations of the WT and three hotspot mutants (D51A,Y54A and Y55A of Im9) of the E9-Im9 complexes were carried out to investigate specific interaction mechanisms of these three hotspot residues.The changes of binding energy between the WT and mutants of the complex were computed by the MM/PBSA method using a polarized force field and were in excellent agreement with experiment values,verifying that these three residues were indeed hotspots of the binding complex.Energy decomposition analysis revealed that binding by D51 to E9 was dominated by electrostatic interaction due to the presence of the carboxyl group of Asp51 which hydrogen bonds to K89.For binding by hotspots Y54 and Y55,van der Waals interaction from the aromatic side chain of tyrosine provided the dominant interaction.For comparison,calculation by using the standard (nonpolarizable) AMBER99SB force field produced binding energy changes from these mutations in opposite direction to the experimental observation.Dynamic hydrogen bond analysis showed that conformations sampled from MD simulation in the standard AMBER force field were distorted from the native state and they disrupted the inter-protein hydrogen bond network of the protein-protein complex.The current work further demonstrated that electrostatic polarization plays a critical role in modulating protein-protein binding.
基金the National Natural Science Foundation of China(Grant Nos.12002290 and 11772274).
文摘Normally large amounts of particles are required to accurately simulate the metal cutting process,which consumes a lot of computing time and storage.Adaptive techniques can help decrease the number of particles,hence reducing the runtime.This paper presents a novel adaptive smoothed particle hydrodynamics(SPH)method for the metal cutting simulation.The spatial resolution changes adaptively according to the distance to the tool tip by the particle splitting and merging.More particles are selected in the region where the workpiece and the tool are in contact.Since the contact region constantly changes during the cutting process,two quadrilateral frames are adopted in the adaptive algorithm to dynamically change the distribution of particles.One frame for the refinement,the other for the coarsening.These frames move at the same speed as the tool.To test the computational efficiency,the metal cutting process is simulated by using SPH with three different adaptive approaches.Numerical results show that the proposed adaptive algorithm with dynamic refinement and coarsening can significantly optimize the runtime.
