Novel Structural Insights of Glutamate Racemase from Mycobacterium tuberculosis through Modeling and Docking Studies

An alarming emergence of multidrug-resistant strains of the tuberculosis pathogen Mycobacterium tuberculosis and continuing high worldwide incidence of tuberculosis has invigorated the search for novel drug targets. The enzyme glutamate racemase (MurI) in bacteria catalyzes the stereoconversion of L-glutamate to D-glutamate which is a component of the peptidoglycan cell wall of the bacterium. The inhibitors targeted against MurI from several bacterial species have been patented and are advocated as promising antibacterial agents. However there are none available against MurI from Mycobacterium tuberculosis, due to the lack of its threedimensional structure. This work accomplished two major objectives. First, the tertiary structure of MtMurI was deduced computationally through homology modeling using the templates from bacterial homologues. It is speculated that like in other Gram-positive bacteria, MtMurI exists as a dimer and many of the protein interactions at the dimer interface are also conserved. Second, potent candidate inhibitors against MtMurI were identified through docking against already known inhibitors in other organisms.

A Growing Natural Gas Approach for Evaluating Quality of Software Modules

The prediction of Software quality during development life cycle of software project helps the development organization to make efficient use of available resource to produce the product of highest quality. “Whether a module is faulty or not" approach can be used to predict quality of a software module. There are numbers of software quality prediction models described in the literature based upon genetic algorithms, artificial neural network and other data mining algorithms. One of the promising aspects for quality prediction is based on clustering techniques. Most quality prediction models that are based on clustering techniques make use of K-means, Mixture-of-Guassians, Self-Organizing Map, Neural Gas and fuzzy K-means algorithm for prediction. In all these techniques a predefined structure is required that is number of neurons or clusters should be known before we start clustering process. But in case of Growing Neural Gas there is no need of predetermining the quantity of neurons and the topology of the structure to be used and it starts with a minimal neurons structure that is incremented during training until it reaches a maximum number user defined limits for clusters. Hence, in this work we have used Growing Neural Gas as underlying cluster algorithm that produces the initial set of labeled cluster from training data set and thereafter this set of clusters is used to predict the quality of test data set of software modules. The best testing results shows 80% accuracy in evaluating the quality of software modules. Hence, the proposed technique can be used by programmers in evaluating the quality of modules during software development.

A Mathematical Representation for Mechanical Model Assessment: Numerical Model Qualification Method

This article illustrates a model selection management approach for virtual prototypes in interactive simulations. In those numerical simulations, the virtual prototype and its environment are modelled as a multiagent system, where every entity (prototype,human, etc.) is modelled as an agent. In particular, virtual prototyp ingagents that provide mathematical models of mechanical behaviour inform of computational methods are considered. This work argues that selection of an appropriate model in a changing environment,supported by models? characteristics, can be managed by the deter-mination a priori of specific exploitation and performance measures of virtual prototype models. As different models exist to represent a single phenomenon, it is not always possible to select the best one under all possible circumstances of the environment. Instead the most appropriate shall be selecting according to the use case. The proposed approach consists in identifying relevant metrics or indicators for each group of models (e.g. entity models, global model), formulate their qualification, analyse the performance, and apply the qualification criteria. Then, a model can be selected based on the performance prediction obtained from its qualification. The authors hope that this approach will not only help to inform engineers and researchers about another approach for selecting virtual prototype models, but also assist virtual prototype engineers in the systematic or automatic model selection.

Finite Element Study of a DfD Beam-Column Connection

Design for Disassembly (DfD) aims to reuse the structural components instead of demolition followed by recycling of the demolition debris. This concept preserves the invested embodied energy of materials, thus reducing inputs of new embodied energy during materials reprocessing or remanufacturing. Both analytical and experimental research on a proposed DfD beam-column connection for use in residential apartments is currently investigated at the National University of Singapore in collaboration with the Housing and Development Board of Singapore. The present study reports on the results of a numerical analysis of the proposed connection utilizing finite element analysis. The numerical model was calibrated and validated by comparison against experimental results. Results of a parametric study will also be presented and discussed.

Design of Liquids Mixing Control System using Fuzzy Time Control Discrete Event Model for Industrial Applications

This paper presents a time control liquids mixing system in the tanks as an application of fuzzy time control discrete model. The system is designed for a wide range of industrial applications. The simulation design of control system has three inputs: volume, viscosity, and selection of product, along with the three external control adjustments for the system calibration or to take over the control of the system autonomously in local or distributed environment. There are four controlling elements: rotatory motor, grinding motor, heating and cooling units, and valves selection, each with time frame limit. The system consists of three controlled variables measurement through its sensing mechanism for feed back control. This design also facilitates the liquids mixing system to grind certain materials in tanks and mix with fluids under required temperature controlled environment to achieve certain viscous level. Design of: fuzzifier, inference engine, rule base, deffuzifiers, and discrete event control system, is discussed. Time control fuzzy rules are formulated, applied and tested using MATLAB simulation for the system.

Effect of Process Parameters on the Proximate Composition, Functional and Sensory Properties

Flour from Mucuna beans (Mucuna pruriens) were used in producing texturized meat analogue using a single screw extruder to monitor modifications on the proximate composition and the functional properties at high moisture level. Response surface methodology based on Box Behnken design at three levels of barrel temperature (110, 120, 130°C), screw speed (100,120,140rpm) and feed moisture (44, 47, 50%) were used in 17 runs. Regression models describing the effect of variables on the product responses were obtained. Descriptive profile analyses and consumer acceptability test were carried out on optimized flavoured extruded meat analogue. Responses were mostly affected by barrel temperature and moisture level and to a lesser extent by screw speed. Optimization results based on desirability concept indicated that a barrel temperature of 120.15°C, feed moisture of 47% and screw speed of 119.19 rpm would produce meat analogue of preferable proximate composition, functional and sensory properties which reveals consumers` likeness for the product.

A Computational Model of Minimal Consciousness Functions

Interest in Human Consciousness has been revived in the late 20th century from different scientific disciplines. Consciousness studies involve both its understanding and its application. In this paper, a computational model of the minimum consciousness functions necessary in my point of view for Artificial Intelligence applications is presented with the aim of improving the way computations will be made in the future. In section I, human consciousness is briefly described according to the scope of this paper. In section II, a minimum set of consciousness functions is defined - based on the literature reviewed - to be modelled, and then a computational model of these functions is presented in section III. In section IV, an analysis of the model is carried out to describe its functioning in detail.

Periodic Control of a Reverse Osmosis Water Desalination Unit

Enhancement of the performance of a reverse osmosis (RO) unit through periodic control is studied. The periodic control manipulates the feed pressure and flow rate of the RO unit. To ensure the periodic behavior of the inputs, the manipulated variables (MV) are transformed into the form of sinusoidal functions. In this case, the amplitude and period of the sinusoidal functions become the surrogate MV and are thus regulated via nonlinear model predictive control algorithm. The simulation results indicated that the control system can generate cyclic inputs necessary to enhance the closedloop performance in the sense of increasing the permeate production and lowering the salt concentration. The proposed control system can attain its objective with arbitrary set point for the controlled outputs. Successful results were also obtained in the presence of modeling errors.

HIV Modelling - Parallel Implementation Strategies

We report on the development of a model to understand why the range of experience with respect to HIV infection is so diverse, especially with respect to the latency period. To investigate this, an agent-based approach is used to extract highlevel behaviour which cannot be described analytically from the set of interaction rules at the cellular level. A network of independent matrices mimics the chain of lymph nodes. Dealing with massively multi-agent systems requires major computational effort. However, parallelisation methods are a natural consequence and advantage of the multi-agent approach and, using the MPI library, are here implemented, tested and optimized. Our current focus is on the various implementations of the data transfer across the network. Three communications strategies are proposed and tested, showing that the most efficient approach is communication based on the natural lymph-network connectivity.

Steady-State Performance of a New Model for UPFC Applied to Multi-Machines System with Nonlinear Load

In this paper, a new developed construction model of the UPFC is proposed. The construction of this model consists of one shunt compensation block and two series compensation blocks. In this case, the UPFC with the new construction model will be investigated when it is installed in multi-machine systems with nonlinear load model. In addition, the steady–state performance of the new model operating as impedance compensation will be presented and compared with that obtained from the system without compensation.

Analysis of the Coupled Stretching Bending Problem of Stiffened Plates by a BEM Formulation Based on Reissner's Hypothesis

In this work, the plate bending formulation of the boundary element method - BEM, based on the Reissner?s hypothesis, is extended to the analysis of plates reinforced by beams taking into account the membrane effects. The formulation is derived by assuming a zoned body where each sub-region defines a beam or a slab and all of them are represented by a chosen reference surface. Equilibrium and compatibility conditions are automatically imposed by the integral equations, which treat this composed structure as a single body. In order to reduce the number of degrees of freedom, the problem values defined on the interfaces are written in terms of their values on the beam axis. Initially are derived separated equations for the bending and stretching problems, but in the final system of equations the two problems are coupled and can not be treated separately. Finally are presented some numerical examples whose analytical results are known to show the accuracy of the proposed model.

Statistical Properties and Performance of Ecological Indices Based On Relative Abundances

The Improved Generalized Diversity Index (IGDI) has been proposed as a tool that can be used to identify areas that have high conservation value and measure the ecological condition of an area. IGDI is based on the species relative abundances. This paper is concerned with particular attention is given to comparisons involving the MacArthur model of species abundances. The properties and performance of various species indices were assessed. Both IGDI and species richness increased with sampling area according to a power function. IGDI were also found to be acceptable ecological indicators of conditions and consistently outperformed coefficient of conservatism indices.

Water and Soil Environment Pollution Reduction by Filter Strips

Contour filter strips planted with perennial vegetation can be used to improve surface and ground water quality by reducing pollutant, such as NO3-N, and sediment outflow from cropland to a river or lake. Meanwhile, the filter strips of perennial grass with biofuel potentials also have economic benefits of producing ethanol. In this study, The Soil and Water Assessment Tool (SWAT) model was applied to the Walnut Creek Watershed to examine the effectiveness of contour strips in reducing NO3-N outflows from crop fields to the river or lake. Required input data include watershed topography, slope, soil type, land-use, management practices in the watershed and climate parameters (precipitation, maximum/minimum air temperature, solar radiation, wind speed and relative humidity). Numerical experiments were conducted to identify potential subbasins in the watershed that have high water quality impact, and to examine the effects of strip size and location on NO3-N reduction in the subbasins under various meteorological conditions (dry, average and wet). Variable sizes of contour strips (10%, 20%, 30% and 50%, respectively, of a subbasin area) planted with perennial switchgrass were selected for simulating the effects of strip size and location on stream water quality. Simulation results showed that a filter strip having 10%-50% of the subbasin area could lead to 55%- 90% NO3-N reduction in the subbasin during an average rainfall year. Strips occupying 10-20% of the subbasin area were found to be more efficient in reducing NO3-N when placed along the contour than that when placed along the river. The results of this study can assist in cost-benefit analysis and decision-making in best water resources management practices for environmental protection.

Gated Community: The Past and Present in China

Gated community has gained its dominant in residential areas development that it has become the standard development pattern of the newly built residential areas in contemporary China. The form of gated community has its own advantages and rationality that meet the needs of quite a lot of residents, but it-s also believed by researchers that the form has great damage to the urban morphology and development, and has a negative impact on residents- living style. However, there is still a considerable controversy of the origins and outcomes. Though recognized as a global phenomenon, gated community developed in China is greatly to do with the specific local forces, respect to the unique historical, political and socio-cultural momentums. A historical review of the traditional settlements in China and the trends that how Gated community has gained its contemporary form, is indispensable for comprehending the local forces, and provide a new perspective to solve the controversy.

Software Tools for System Identification and Control using Neural Networks in Process Engineering

Neural networks offer an alternative approach both for identification and control of nonlinear processes in process engineering. The lack of software tools for the design of controllers based on neural network models is particularly pronounced in this field. SIMULINK is properly a widely used graphical code development environment which allows system-level developers to perform rapid prototyping and testing. Such graphical based programming environment involves block-based code development and offers a more intuitive approach to modeling and control task in a great variety of engineering disciplines. In this paper a SIMULINK based Neural Tool has been developed for analysis and design of multivariable neural based control systems. This tool has been applied to the control of a high purity distillation column including non linear hydrodynamic effects. The proposed control scheme offers an optimal response for both theoretical and practical challenges posed in process control task, in particular when both, the quality improvement of distillation products and the operation efficiency in economical terms are considered.

A Dynamic Programming Model for Maintenance of Electric Distribution System

The paper presents dynamic programming based model as a planning tool for the maintenance of electric power systems. Every distribution component has an exponential age depending reliability function to model the fault risk. In the moment of time when the fault costs exceed the investment costs of the new component the reinvestment of the component should be made. However, in some cases the overhauling of the old component may be more economical than the reinvestment. The comparison between overhauling and reinvestment is made by optimisation process. The goal of the optimisation process is to find the cost minimising maintenance program for electric power distribution system.

A Mobile Multihop Relay Dynamic TDD Scheme for Cellular Networks

In this paper, we present an analytical framework for the evaluation of the uplink performance of multihop cellular networks based on dynamic time division duplex (TDD). New wireless broadband protocols, such as WiMAX, WiBro, and 3G-LTE apply TDD, and mobile communication protocols under standardization (e.g., IEEE802.16j) are investigating mobile multihop relay (MMR) as a future technology. In this paper a novel MMR TDD scheme is presented, where the dynamic range of the frame is shared to traffic resources of asymmetric nature and multihop relaying. The mobile communication channel interference model comprises of inner and co-channel interference (CCI). The performance analysis focuses on the uplink due to the fact that the effects of dynamic resource allocation show significant performance degradation only in the uplink compared to time division multiple access (TDMA) schemes due to CCI [1-3], where the downlink results to be the same or better.The analysis was based on the signal to interference power ratio (SIR) outage probability of dynamic TDD (D-TDD) and TDMA systems,which are the most widespread mobile communication multi-user control techniques. This paper presents the uplink SIR outage probability with multihop results and shows that the dynamic TDD scheme applying MMR can provide a performance improvement compared to single hop applications if executed properly.

Artificial Neural Networks Modeling in Water Resources Engineering: Infrastructure and Applications

The use of artificial neural network (ANN) modeling for prediction and forecasting variables in water resources engineering are being increasing rapidly. Infrastructural applications of ANN in terms of selection of inputs, architecture of networks, training algorithms, and selection of training parameters in different types of neural networks used in water resources engineering have been reported. ANN modeling conducted for water resources engineering variables (river sediment and discharge) published in high impact journals since 2002 to 2011 have been examined and presented in this review. ANN is a vigorous technique to develop immense relationship between the input and output variables, and able to extract complex behavior between the water resources variables such as river sediment and discharge. It can produce robust prediction results for many of the water resources engineering problems by appropriate learning from a set of examples. It is important to have a good understanding of the input and output variables from a statistical analysis of the data before network modeling, which can facilitate to design an efficient network. An appropriate training based ANN model is able to adopt the physical understanding between the variables and may generate more effective results than conventional prediction techniques.

Organization Model of Semantic Document Repository and Search Techniques for Studying Information Technology

Nowadays, organizing a repository of documents and resources for learning on a special field as Information Technology (IT), together with search techniques based on domain knowledge or document-s content is an urgent need in practice of teaching, learning and researching. There have been several works related to methods of organization and search by content. However, the results are still limited and insufficient to meet user-s demand for semantic document retrieval. This paper presents a solution for the organization of a repository that supports semantic representation and processing in search. The proposed solution is a model which integrates components such as an ontology describing domain knowledge, a database of document repository, semantic representation for documents and a file system; with problems, semantic processing techniques and advanced search techniques based on measuring semantic similarity. The solution is applied to build a IT learning materials management system of a university with semantic search function serving students, teachers, and manager as well. The application has been implemented, tested at the University of Information Technology, Ho Chi Minh City, Vietnam and has achieved good results.

Determination of Cd, Zn, K, pH, TNV, Organic Material and Electrical Conductivity (EC) Distribution in Agricultural Soils using Geostatistics and GIS (Case Study: South- Western of Natanz- Iran)

Soil chemical and physical properties have important roles in compartment of the environment and agricultural sustainability and human health. The objectives of this research is determination of spatial distribution patterns of Cd, Zn, K, pH, TNV, organic material and electrical conductivity (EC) in agricultural soils of Natanz region in Esfehan province. In this study geostatistic and non-geostatistic methods were used for prediction of spatial distribution of these parameters. 64 composite soils samples were taken at 0-20 cm depth. The study area is located in south of NATANZ agricultural lands with area of 21660 hectares. Spatial distribution of Cd, Zn, K, pH, TNV, organic material and electrical conductivity (EC) was determined using geostatistic and geographic information system. Results showed that Cd, pH, TNV and K data has normal distribution and Zn, OC and EC data had not normal distribution. Kriging, Inverse Distance Weighting (IDW), Local Polynomial Interpolation (LPI) and Redial Basis functions (RBF) methods were used to interpolation. Trend analysis showed that organic carbon in north-south and east to west did not have trend while K and TNV had second degree trend. We used some error measurements include, mean absolute error(MAE), mean squared error (MSE) and mean biased error(MBE). Ordinary kriging(exponential model), LPI(Local polynomial interpolation), RBF(radial basis functions) and IDW methods have been chosen as the best methods to interpolating of the soil parameters. Prediction maps by disjunctive kriging was shown that in whole study area was intensive shortage of organic matter and more than 63.4 percent of study area had shortage of K amount.