According to the morphological structure characteristics of plants, the de- velopment mode for component-based virtual plants software was put forward, and the internal structure of plant organs component under this m...According to the morphological structure characteristics of plants, the de- velopment mode for component-based virtual plants software was put forward, and the internal structure of plant organs component under this mode were analyzed, thereby, the overall design mode for virtual plants software was given out, and its characteristics were estimated. Compared with traditional development modes of virtual plants software, component-based virtual plants software had significant advantages in code reusing, development efficiency and expansion of software functions.展开更多
O-GlcNAc transferase (OGT) is one of essential mammalian enzymes, which catalyze the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine (UDP-GlcNAc) to hydroxyl groups of serines and threonines (Ser/Thr...O-GlcNAc transferase (OGT) is one of essential mammalian enzymes, which catalyze the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine (UDP-GlcNAc) to hydroxyl groups of serines and threonines (Ser/Thr) in proteins. Dysregulations of cellular O-GlcNAc have been implicated in diabetes, neurodegenerative disease, and cancer, which brings great interest in developing potent and specific small-molecular OGT inhibitors. In this work, we performed virtual screening on OGT catalytic site to identify potential inhibitors. 7134792 drug-like compounds from ZINC (a free database of commercially available compounds for virtual screening) and 4287550 compounds generated by FOG (fragment optimized growth program) were screened and the top 116 compounds ranked by docking score were analyzed. By comparing the screening results, we found FOG program can generate more compounds with better docking scores than ZINC. The top ZINC compounds ranked by docking score were grouped into two classes, which held the binding positions of UDP and GlcNAc of UDP- GlcNAc. Combined with individual fragments in binding pocket, de novo compounds were designed and proved to have better docking score. The screened and designed compounds may become a starting point for developing new drugs.展开更多
The stent was a major breakthrough in the treatment of atherosclerotic vascular disease. The permanent vascular implant of a stent, however, changes the intra-stent blood flow hemodynamics. There is a growing consensu...The stent was a major breakthrough in the treatment of atherosclerotic vascular disease. The permanent vascular implant of a stent, however, changes the intra-stent blood flow hemodynamics. There is a growing consensus that the stent implant may change the artery wall shear stress distribution and hence lead to the restenosis process. Computational fluid dynamics (CFD) has been widely used to analyze hemodynamics in stented arteries. In this paper, two CFD models (the axisymmetric model and the 3-D stent model) were developed to investigate the effects of strut geometry and blood rheology on the intra-stent hemodynamics. The velocity profile, flow recirculation, and wall shear stress distribution of various stent strut geometries were studied. Results show strong correlations between the intra-stent hemodynamics and strut geometry. The intra-stent blood flow is very sensitive to the strut height and fillet size. A round strut with a large fillet size shows 36% and 34% reductions in key parameters evaluating the restenosis risk for the axisymmetric model and the 3-D stent model, respectively. This suggests that electrochemical polishing, a surface-improving process during stent manufacturing, strongly influences the hemodynamic behavior in stented arteries and should be controlled precisely in order to achieve the best clinical outcome. Rheological effects on the wall shear stress are minor in both axisymmetric and 3-D stent models for the vessel diameter of 4 mm, with Newtonian flow simulation tending to give more conservative estimates ofrestenosis risk. Therefore, it is reasonable to simulate the blood flow as a Newtonian flow in stented arteries using the simpler axisymmetric model. These findings will provide great insights for stent design optimization for potential restenosis improvement.展开更多
This paper used the virtual reality modeling language (VRML) to establish the 3D virtual experiment instrument model, and by using the visual programming language VB to design and develop a interactive virtual reali...This paper used the virtual reality modeling language (VRML) to establish the 3D virtual experiment instrument model, and by using the visual programming language VB to design and develop a interactive virtual realization experiment platform, the interface has friendly interface, stable operation, strong practicability like with the Windows style, is a kind of reform for the traditional physics experiment teaching mode. The system has practical use value, also has reference value for the reform and modernization of other experimental courses.展开更多
Using physical model and numerical simulation techniques, some technical problems were studied systemati- cally, including layout of power station, measures of sediment and floating debris discharging, types of intake...Using physical model and numerical simulation techniques, some technical problems were studied systemati- cally, including layout of power station, measures of sediment and floating debris discharging, types of intake, embed- ded types of spiral ease, layout of underground powerhouse tunnel group and block reinforcement. It was optimal in technique and economy with the arrangement of powerhouse at the dam-toe of both banks + underground powerhouse in the right bank, as well as the intake with a single and small orifice. The sediment and debris problems could be solved with disperse sediment ejection and floating debris discharging holes. With the adoption of techniques for spiral cases such as heat and pressure preservation, cushion layer and combined embedding, the stable operation of generating units can be guaranteed. The arrangement of tailrace tunnel with sloping ceiling was better than that of tailrace surge tank. The technical requirements related to the embedding type of spiral case were proposed. The reinforcement of huge unfavorable blocks was discussed and the new idea for block reinforcement using anti-sliding piles and normal compressive stress of structural plane was put forward.展开更多
An approach for the integrated optimization of the construction/expansion capacity of high-voltage/ medium-voltage (HV/MV) substations and the configuration of MV radial distribution network was presented using plant ...An approach for the integrated optimization of the construction/expansion capacity of high-voltage/ medium-voltage (HV/MV) substations and the configuration of MV radial distribution network was presented using plant growth simulation algorithm (PGSA). In the optimization process, fixed costs correspondent to the investment in lines and substations and the variable costs associated to the operation of the system were considered under the constraints of branch capacity, substation capacity and bus voltage. The optimization variables considerably reduce the dimension of variables and speed up the process of optimizing. The effectiveness of the proposed approach was tested by a distribution system planning.展开更多
Landscape design for a green community should be favorable for the ambient ecological environment and for enhancement of both the local climate of a residential area and the environmental quality of life. This paper p...Landscape design for a green community should be favorable for the ambient ecological environment and for enhancement of both the local climate of a residential area and the environmental quality of life. This paper presents optimization methods for plant landscape design that take account of results of comparisons of noise reduction effects, heat island temperature decreases and effects on ventilation. These methods are based on different plant configurations and various luminous environments, such as exterior sunshine and shaded areas after the simulation of exterior luminous, acoustic and thermal environments of a residential area using the analytic software ECOTECT, CADNA/A, and PHEONICS. Three different types of residential buildings are simulated including a faculty apartment in the Xixi Campus of Zhejiang University, the Huaqing Villa and the Gangwan Jiayuan faculty apartment of Zhejiang University, China, based on green building design theory. In addition, the methods and process flow of landscape design of green residential areas are also described for the improvement of the exterior physical living environment.展开更多
The layer structured zirconium phosphate (ZrP) can be intercalated with atoms, molecules, small organic groups and even polymers. The structures and properties of the ZrP intercalation compounds can be deliberately ...The layer structured zirconium phosphate (ZrP) can be intercalated with atoms, molecules, small organic groups and even polymers. The structures and properties of the ZrP intercalation compounds can be deliberately tuned, leading to promising potential applications in many fields. This article provides a brief review on the experimental results of the ZrP intercalation compounds, with the focus on the polymer/α-zirconium phosphate (α-ZrP) nano-composites. The computer simulations of the ZrP intercalation compounds at the atomic level play a significant role in designing and understanding the properties of ZrP, and in the promotion of the applications of compounds.展开更多
基金Supported by the National Natural Science Foundation of China(61062007)the Principal Fund Project of Tarim University,China(TDZKSS201115)~~
文摘According to the morphological structure characteristics of plants, the de- velopment mode for component-based virtual plants software was put forward, and the internal structure of plant organs component under this mode were analyzed, thereby, the overall design mode for virtual plants software was given out, and its characteristics were estimated. Compared with traditional development modes of virtual plants software, component-based virtual plants software had significant advantages in code reusing, development efficiency and expansion of software functions.
文摘O-GlcNAc transferase (OGT) is one of essential mammalian enzymes, which catalyze the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine (UDP-GlcNAc) to hydroxyl groups of serines and threonines (Ser/Thr) in proteins. Dysregulations of cellular O-GlcNAc have been implicated in diabetes, neurodegenerative disease, and cancer, which brings great interest in developing potent and specific small-molecular OGT inhibitors. In this work, we performed virtual screening on OGT catalytic site to identify potential inhibitors. 7134792 drug-like compounds from ZINC (a free database of commercially available compounds for virtual screening) and 4287550 compounds generated by FOG (fragment optimized growth program) were screened and the top 116 compounds ranked by docking score were analyzed. By comparing the screening results, we found FOG program can generate more compounds with better docking scores than ZINC. The top ZINC compounds ranked by docking score were grouped into two classes, which held the binding positions of UDP and GlcNAc of UDP- GlcNAc. Combined with individual fragments in binding pocket, de novo compounds were designed and proved to have better docking score. The screened and designed compounds may become a starting point for developing new drugs.
文摘The stent was a major breakthrough in the treatment of atherosclerotic vascular disease. The permanent vascular implant of a stent, however, changes the intra-stent blood flow hemodynamics. There is a growing consensus that the stent implant may change the artery wall shear stress distribution and hence lead to the restenosis process. Computational fluid dynamics (CFD) has been widely used to analyze hemodynamics in stented arteries. In this paper, two CFD models (the axisymmetric model and the 3-D stent model) were developed to investigate the effects of strut geometry and blood rheology on the intra-stent hemodynamics. The velocity profile, flow recirculation, and wall shear stress distribution of various stent strut geometries were studied. Results show strong correlations between the intra-stent hemodynamics and strut geometry. The intra-stent blood flow is very sensitive to the strut height and fillet size. A round strut with a large fillet size shows 36% and 34% reductions in key parameters evaluating the restenosis risk for the axisymmetric model and the 3-D stent model, respectively. This suggests that electrochemical polishing, a surface-improving process during stent manufacturing, strongly influences the hemodynamic behavior in stented arteries and should be controlled precisely in order to achieve the best clinical outcome. Rheological effects on the wall shear stress are minor in both axisymmetric and 3-D stent models for the vessel diameter of 4 mm, with Newtonian flow simulation tending to give more conservative estimates ofrestenosis risk. Therefore, it is reasonable to simulate the blood flow as a Newtonian flow in stented arteries using the simpler axisymmetric model. These findings will provide great insights for stent design optimization for potential restenosis improvement.
文摘This paper used the virtual reality modeling language (VRML) to establish the 3D virtual experiment instrument model, and by using the visual programming language VB to design and develop a interactive virtual realization experiment platform, the interface has friendly interface, stable operation, strong practicability like with the Windows style, is a kind of reform for the traditional physics experiment teaching mode. The system has practical use value, also has reference value for the reform and modernization of other experimental courses.
文摘Using physical model and numerical simulation techniques, some technical problems were studied systemati- cally, including layout of power station, measures of sediment and floating debris discharging, types of intake, embed- ded types of spiral ease, layout of underground powerhouse tunnel group and block reinforcement. It was optimal in technique and economy with the arrangement of powerhouse at the dam-toe of both banks + underground powerhouse in the right bank, as well as the intake with a single and small orifice. The sediment and debris problems could be solved with disperse sediment ejection and floating debris discharging holes. With the adoption of techniques for spiral cases such as heat and pressure preservation, cushion layer and combined embedding, the stable operation of generating units can be guaranteed. The arrangement of tailrace tunnel with sloping ceiling was better than that of tailrace surge tank. The technical requirements related to the embedding type of spiral case were proposed. The reinforcement of huge unfavorable blocks was discussed and the new idea for block reinforcement using anti-sliding piles and normal compressive stress of structural plane was put forward.
基金the National Natural Science Foundation of China (No. 50747025)the Postdoctoral Science Foundation of China (No. 20060400648)+1 种基金the Scientific Research Foundation for the Returned Overseas Chinese Scholars (No. 2005383)the Shanghai Key Scienceand Technology Research Program (No. 041612012)
文摘An approach for the integrated optimization of the construction/expansion capacity of high-voltage/ medium-voltage (HV/MV) substations and the configuration of MV radial distribution network was presented using plant growth simulation algorithm (PGSA). In the optimization process, fixed costs correspondent to the investment in lines and substations and the variable costs associated to the operation of the system were considered under the constraints of branch capacity, substation capacity and bus voltage. The optimization variables considerably reduce the dimension of variables and speed up the process of optimizing. The effectiveness of the proposed approach was tested by a distribution system planning.
基金Project (No. R1080363) supported by the Zhejiang Provincial Natural Science Foundation of China
文摘Landscape design for a green community should be favorable for the ambient ecological environment and for enhancement of both the local climate of a residential area and the environmental quality of life. This paper presents optimization methods for plant landscape design that take account of results of comparisons of noise reduction effects, heat island temperature decreases and effects on ventilation. These methods are based on different plant configurations and various luminous environments, such as exterior sunshine and shaded areas after the simulation of exterior luminous, acoustic and thermal environments of a residential area using the analytic software ECOTECT, CADNA/A, and PHEONICS. Three different types of residential buildings are simulated including a faculty apartment in the Xixi Campus of Zhejiang University, the Huaqing Villa and the Gangwan Jiayuan faculty apartment of Zhejiang University, China, based on green building design theory. In addition, the methods and process flow of landscape design of green residential areas are also described for the improvement of the exterior physical living environment.
基金supported by the National Natural Science Foundation of China(Grant No.51272009)
文摘The layer structured zirconium phosphate (ZrP) can be intercalated with atoms, molecules, small organic groups and even polymers. The structures and properties of the ZrP intercalation compounds can be deliberately tuned, leading to promising potential applications in many fields. This article provides a brief review on the experimental results of the ZrP intercalation compounds, with the focus on the polymer/α-zirconium phosphate (α-ZrP) nano-composites. The computer simulations of the ZrP intercalation compounds at the atomic level play a significant role in designing and understanding the properties of ZrP, and in the promotion of the applications of compounds.