Adsorption of His-tagged peptide to Ni, Cu and Au (100) surfaces: Molecular dynamics simulation

Molecular dynamics (MD) simulations are performed to study the interaction of His-tagged peptide with three different metal surfaces in explicit water. The equilibrium properties are analyzed by using pair correlation functions (PCF) to give an insight into the behavior of the peptide adsorption to metal surfaces in water solvent. The intermolecular interactions between peptide residues and the metal surfaces are evaluated. By pulling the peptide away from the peptide in the presence of solvent water, peeling forces are obtained and reveal the binding strength of peptide adsorption on nickel, copper and gold. From the analysis of the dynamics properties of the peptide interaction with the metal surfaces, it is shown that the affinity of peptide to Ni surface is the strongest, while on Cu and An the affinity is a little weaker. In MD simulations including metals, the His-tagged region interacts with the substrate to an extent greater than the other regions. The work presented here reveals various interactions between His-tagged peptide and Ni/Cu/Au surfaces. The interesting affinities and dynamical properties of the peptide are also derived. The results give predictions for the structure of His-tagged peptide adsorbing on three different metal surfaces and show the different affinities between them, which assist the understanding of how peptides behave on metal surfaces and of how designers select amino sequences in molecule devices design. (c) 2007 Elsevier Ltd. All rights reserved.

Characteristics of the microbial communities in the integrated vertical-flow constructed wetlands

Microorganisms play an important role in removing pollutants from constructed wetlands. We investigated the microbial characteristics in a novel integrated vertical-flow constructed wetland (IVCW), which has been in operation in Wuhan, China since 1998. We used phospholipid fatty acid (PLFA) and amoA gene to analyze the structure and diversity of the microbial community within the IVCW. PLFA results suggested that the amount of bacterial PLFA was significantly higher than that of fungal PLFA, but the total microbial biomass represented by PLFA index was low in the system. Microbial spatial distribution showed significantly higher bacterial (both G(+) and G(-)) and fungal biomass in the surface than in the subsurface layers. The ratios of monounsaturated to branched PLFA demonstrated that an anaerobic layer sandwiched by two aerobic layers existed in the IVCW, consistent with the redox potential results. Analysis of the amoA revealed the presence of Nitrosomonas-like sequences in the surface substrate of the downflow chamber and apparent diversities of ammonia-oxidizing bacteria in the system. These results suggest that microorganisms, despite their relatively low biomass, have inhabited the IVCW, and the results will offer some valuable information on microbe to system designers and managers.

impossible differential cryptanalysis of reduced-round aria and camellia

This paper studies the security of the block ciphers ARIA and Camellia against impossible differential cryptanalysis. Our work improves the best impossible differential cryptanalysis of ARIA and Camellia known so far. The designers of ARIA expected no impossible differentials exist for 4-round ARIA. However, we found some nontrivial 4-round impossible differentials, which may lead to a possible attack on 6-round ARIA. Moreover, we found some nontrivial 8-round impossible differentials for Camellia, whereas only 7-round impossible differentials were previously known. By using the 8-round impossible differentials, we presented an attack on 12-round Camellia without FL/FL 1 layers.

research on user-centered design and recognition pen gestures

Pen-based user interface has become a hot research field in recent years. Pen gesture plays an important role in Pen-based user interfaces. But it’s difficult for UI designers to design, and for users to learn and use. In this purpose, we performed a research on user-centered design and recognition pen gestures. We performed a survey of 100 pen gestures in twelve famous pen-bases systems to find problems of pen gestures currently used. And we conducted a questionnaire to evaluate the matching degree between commands and pen gestures to discover the characteristics that a good pen gestures should have. Then cognition theories were applied to analyze the advantages of those characteristics in helping improving the learnability of pen gestures. From these, we analyzed the pen gesture recognition effect and presented some improvements on features selection in recognition algorithm of pen gestures. Finally we used a couple of psychology experiments to evaluate twelve pen gestures designed based on the research. It shows those gestures is better for user to learn and use. Research results of this paper can be used for designer as a primary principle to design pen gestures in pen-based systems.

基于智能优化算法的设备布局设计

制造系统的设备布局与生产率和生产成本密切相关 ,布局设计是制造系统设计者面临的关键问题之一。文章针对布局问题的平方分派模型 ,构建了一种布局设计的混合智能优化算法———遗传退火算法 ,并分析了算法实现的方法。实例表明遗传退火算法的高效性。

承德公路隧道围岩分级与塌方机理分析

During tunnel constriction the classification of rock mass is widely used in tunnel design and construction. Moreover it offers the base information about tunnel investment and security. The quick classification of rock mass is very important for not delaying tunnel construction. Nowadays the tunnel engineers usually use initial survey files which are obtained by probe drilling to design a tunnel. It brings the problem that initial surrounding rock classification is usually much different from the real condition during the tunnel construction. Because initial surrounding rock lack credibility, it need us to make real time surrounding rock classification during the tunnel construction, and feed back the result to designers and constructors. Therefore, to find a quick wall rock classification method is very important not only for the time limit for a project but also for not delaying tunnel construction. Not all but many tunnels and underground constructions do suffer form collapse during the period of construction. Although accidental collapse in a large project in civil and geotechnical engineering sometimes appears to be a local event, if it occurred, it can bring about casualties, disrupted，production, construction delay, environmental damage, capital cost etc，therefore, it has been a difficult problem ,both in theory and in practice, establishing how to prevent underground structures form collapse and how to handle such an event in case in occurs. It is important to develop effective solutions and technical measures to prevent and control the collapse. According to the tunnel collapse occurred in Cheng De this paper analyze the main collapse mechanism leading to tunnel collapse and summon up the disposal method when collapse happened. It may be useful for tunnel construction in Cheng De in future. This paper is base on tunnel surrounding rock classification and tunnel support tasks during the tunnel construction in Cheng De area. It aims at solving 4 important problems in tunnel design and construction. 1) The relationship between rock rebound strength and rock single axle compression strength. First we go to the face wall and do rebound test on the tunnel face, then we chose some pieces of rock and do point loading test. Form the tests record we try to find the relationship between rock rebound strength and rock single axle compression strength. 2) The relationship between the value [BQ] and the value Q. First in order to obtain the information of rock character, rock strength, degree of weathering, the structure of rock mass, the joint condition, underground water condition and so on, we go to the tunnel face to do field investigation. And then we use two kinds of rock classification method to make surrounding rock classification. Base on the works above, finally we analyze the relationship between the value [BQ] and the value Q. 3) Sum up the mechanism leading to tunnel collapse and it disposal method in Cheng De area According to the tunnel collapse occurred in Cheng De this paper analyze the main reasons leading to the tunnel collapse and sum up the disposal method when collapse happened. 4) Obtain the properties of steel frame grid by numerical simulation. First we establish the 3D numeral model of steel frame grid by ADINA, and then find the mechanics properties by numerical simulation in ADINA. Second Based on the rock mass geological structure model, we established steel frame grid numeral model which is installed in the tunnel by FLAC3D and simulated the progress of tunnel construction. We hope that the support effect in tunnel can be evaluated from the numerical simulation.

工程地质三维可视化技术及其工程应用研究

Study of 3D visualization technology of engineering geology and its application to engineering is a cross subject which includes geosciences, computer, software and information technology. Being an important part of the secondary theme of National Basic Research Program of China (973 Program) whose name is Study of Multi-Scale Structure and Occurrence Environment of Complicated Geological Engineering Mass(No.2002CB412701), the dissertation involves the studies of key problems of 3D geological modeling, integrated applications of multi-format geological data, effective modeling methods of complex approximately layered geological mass as well as applications of 3D virtual reality information management technology.The main research findings are listed below:Integrated application method of multi-format geological data is proposed,which has solved the integrated application of drill holes, engineering geology plandrawings, sectional drawings and cutting drawings as well as exploratory trenchsketch. Its application can provide as more as possible fundamental data for 3Dgeological modeling.A 3D surface construction method combined Laplace interpolation points withoriginal points is proposed, so the deformation of 3D model and the crossing error ofupper and lower surface of model resulted from lack of data when constructing alaminated stratum can be eliminated.3D modeling method of approximately layered geological mass is proposed,which has solved the problems of general modeling method based on the sections or points and faces when constructing terrain and concordant strata.The 3D geological model of VII dam site of Xiangjiaba hydropower stationhas been constructed. The applications of 3D geological model to the auto-plotting ofsectional drawing and the converting of numerical analysis model are also discussed.3D virtual reality information integrated platform is developed, whose mostimportant character is that it is a software platform having the functions of 3D virtualreality flying and multi-format data management simultaneously. Therefore, theplatform can load different 3D model so as to satisfy the different engineeringdemands.The relics of Aigong Cave of Longyou Stone Caves are recovered. Thereinforcement plans of 1# and 2# cave in phoenix hill also be expressed. The intuitiveexpression provided decision makers and designers a very good environment.The basic framework and specific functions of 3D geological informationsystem are proposed.The main research findings in the dissertation have been successfully applied to some important engineering such as Xiangjiaba hydropower station, a military airport and Longyou Stone Caves etc.

龙滩水电站左岸边坡监测信息系统研制及其监测资料分析

Guangxi Longtan Hydropower Station is not only a representative project of West Developing and Power Transmission from West to East in China, but also the second Hydropower Station to Three Gorges Project which is under construction in China. There are 770 X 104m3 creeping rock mass on the left bank slope in upper reaches, in which laid 9 water inlet tunnels and some underground plant buildings. Since the 435m high excavated slope threatens the security of the Dam, its deformation and stability is of great importance to the power station.Based on the Autodesk Map2004, Longtan Hydropower Station Monitoring Information System on Left Bank has been basically finished on the whole. Integrating the hydropower station monitoring information into Geographic Information System(GIS) environment, managers and engineers can dynamically gain the deformation information of the slop by query the symbols. By this means, designers can improve the correctness of analysis, and make a strategic and proper decision. Since the system is beneficial to effectively manage the monitoring-data, equitably save the cost of design and safe construction, and decrease the workload of the engineers, it is a successful application to the combination of hydropower station monitoring information management and computer information system technology.At the same time, on the basis of the geological analysis and rock mass toppling deformation and failure mechanism analysis of Longtan engineering left bank slope, the synthetic space-time analysis and influence factors analysis on the surface monitoring data and deep rock mass monitoring data of A-zone on left bank slope are carried on. It shows that the main intrinsic factor that effects the deformation of Zone A is the argillite limestone interbedding toppling structure, and its main external factors are rain and slope excavation. What's more, Degree of Reinforcement Demand(DRD) has been used to evaluate the slop reinforce effect of Zone A on left bank according to the Engineering Geomechanics-mate-Synthetics(EGMS). The result shows that the slop has been effective reinforced, and it is more stable after reinforce.At last, on the basis of contrasting with several forecast models, a synthetic forecast GRAV model has been presented and used to forecast the deformation of zone A on left bank in generating electricity period. The result indicates that GRAV model has good forecast precision, strong stability, and practical valuable reliability.

任职者工作分析评价结果影响因素的多水平探讨

As the foundation of other human resource practices, job analysis plays an essential role in HR management. Exploring sources of variance in job analysis ratings given by incumbents from the same job is of much significance to HRM practices. It can also shed lights on employee motivation in organizations. But previous studies in job analysis field have usually been conducted at individual level and take variance in job analysis ratings given by incumbents of the same job as error or bias. This dissertation takes the position that the variance may be meaningful based on role theory and other relevant theories. It first reviewed pervious studies on factors which may influence job analysis ratings provided by incumbents of the same job, and then investigated individual, interpersonal and organizational level variables which may exert impacts on these job analysis ratings, using multilevel data from 8 jobs of 1124 incumbents. The major findings are as follows: 1) Level of job performance and job attitudes affect incumbents’ job analysis ratings by incumbents of the same job at individual level. Specifically, incumbents with high level of job performance rated their job require higher levels of technical skills (power plant designers), and regarded information processing activities as more important to their job (book editors). Regarding the effects of job attitudes, incumbents of the four jobs with high level of job satisfaction gave higher importance and level ratings on organizational and cognitive skills, as well as higher level ratings on technical skills. Further, incumbents with higher affective commitment provided higher importance and level ratings of cognitive skills. Lastly, more involved job incumbents perceived organizational skills and cognitive skills as more important, and required at higher levels, for their job. 2) Leader-Member Exchange and goal structure also have effects on job analysis ratings by incumbents of the same job at interpersonal level. In good quality LMX relationship, news reporters rated decision-making activities and interpersonal activities as more important to their job. On the other side, when book editors structured their goals as cooperative with others’, they provided higher importance ratings on reasoning and interpersonal skills, and related personality requirements, as well as higher level ratings on reasoning abilities. 3) Worker requirements for the identical job are distinct from one organization to another. Specifically, there were between-organization differences in achievement orientation and conscientiousness related personality requirements. In addition, two dimensions of organizational culture, achievement-oriented culture and integrity-oriented culture in particular, were significantly associated with importance ratings of achievement orientation and conscientiousness related personality requirements respectively. Furthermore, achievement-oriented culture both directly and indirect (through job involvement) influenced achievement orientation related personality requirements. The results indicate that variation in job analysis ratings provided by incumbents of the same job may be meaningful. Future job analysis studies and practices should consider the impacts of these individual, interpersonal and organizational level factors on job analysis information. The results also have important implications for employee motivation concerning how organizational demands can be transformed into specific job and worker requirements.