Computer Aided Docking Studies on Antiviral Drugs for SARS

Severe acute respiratory syndrome (SARS) is a respiratory disease in humans which is caused by the SARS coronavirus. The treatment of coronavirus-associated SARS has been evolving and so far there is no consensus on an optimal regimen. The mainstream therapeutic interventions for SARS involve broad-spectrum antibiotics and supportive care, as well as antiviral agents and immunomodulatory therapy. The Protein- Ligand interaction plays a significant role in structural based drug designing. In the present work we have taken the receptor Angiotensin converting enzyme 2 and identified the drugs that are commonly used against SARS. They are Lopinavir, Ritonavir, Ribavirin, and Oseltamivir. The receptor Angiotensin converting enzyme 2 (ACE-2) was docked with above said drugs and the energy value obtained are as follows, Lopinavir (-292.3), Ritonavir (-325.6), Oseltamivir (- 229.1), Ribavirin (-208.8). Depending on the least energy value we have chosen the best two drugs out of the four conventional drugs. We tried to improve the binding efficiency and steric compatibility of the two drugs namely Ritonavir and Lopinavir. Several modifications were made to the probable functional groups (phenylic, ketonic groups in case of Ritonavir and carboxylic groups in case of Lopinavir respectively) which were interacting with the receptor molecule. Analogs were prepared by Marvin Sketch software and were docked using HEX docking software. Lopinavir analog 8 and Ritonavir analog 11 were detected with significant energy values and are probable lead molecule. It infers that some of the modified drugs are better than the original drugs. Further work can be carried out to improve the steric compatibility of the drug based upon the work done above for a more energy efficient binding of the drugs to the receptor.

An Automated Test Setup for the Characterization of Antenna in CATR

This paper describes the development of a fully automated measurement software for antenna radiation pattern measurements in a Compact Antenna Test Range (CATR). The CATR has a frequency range from 2-40 GHz and the measurement hardware includes a Network Analyzer for transmitting and Receiving the microwave signal and a Positioner controller to control the motion of the Styrofoam column. The measurement process includes Calibration of CATR with a Standard Gain Horn (SGH) antenna followed by Gain versus angle measurement of the Antenna under test (AUT). The software is designed to control a variety of microwave transmitter / receiver and two axis Positioner controllers through the standard General Purpose interface bus (GPIB) interface. Addition of new Network Analyzers is supported through a slight modification of hardware control module. Time-domain gating is implemented to remove the unwanted signals and get the isolated response of AUT. The gated response of the AUT is compared with the calibration data in the frequency domain to obtain the desired results. The data acquisition and processing is implemented in Agilent VEE and Matlab. A variety of experimental measurements with SGH antennas were performed to validate the accuracy of software. A comparison of results with existing commercial softwares is presented and the measured results are found to be within .2 dBm.

Comparison of Detached Eddy Simulations with Turbulence Modeling

Flow field around hypersonic vehicles is very complex and difficult to simulate. The boundary layers are squeezed between shock layer and body surface. Resolution of boundary layer, shock wave and turbulent regions where the flow field has high values is difficult of capture. Detached eddy simulation (DES) is a modification of a RANS model in which the model switches to a subgrid scale formulation in regions fine enough for LES calculations. Regions near solid body boundaries and where the turbulent length scale is less than the maximum grid dimension are assigned the RANS mode of solution. As the turbulent length scale exceeds the grid dimension, the regions are solved using the LES mode. Therefore the grid resolution is not as demanding as pure LES, thereby considerably cutting down the cost of the computation. In this research study hypersonic flow is simulated at Mach 8 and different angle of attacks to resolve the proper boundary layers and discontinuities. The flow is also simulated in the long wake regions. Mesh is little different than RANS simulations and it is made dense near the boundary layers and in the wake regions to resolve it properly. Hypersonic blunt cone cylinder body with frustrum at angle 5o and 10 o are simulated and there aerodynamics study is performed to calculate aerodynamics characteristics of different geometries. The results and then compared with experimental as well as with some turbulence model (SA Model). The results achieved with DES simulation have very good resolution as well as have excellent agreement with experimental and available data. Unsteady simulations are performed for DES calculations by using duel time stepping method or implicit time stepping. The simulations are performed at Mach number 8 and angle of attack from 0o to 10o for all these cases. The results and resolutions for DES model found much better than SA turbulence model.

Multiple-Points Fault Signature's Dynamics Modeling for Bearing Defect Frequencies

Occurrence of a multiple-points fault in machine operations could result in exhibiting complex fault signatures, which could result in lowering fault diagnosis accuracy. In this study, a multiple-points defect model (MPDM) is proposed which can simulate fault signature-s dynamics for n-points bearing faults. Furthermore, this study identifies that in case of multiple-points fault in the rotary machine, the location of the dominant component of defect frequency shifts depending upon the relative location of the fault points which could mislead the fault diagnostic model to inaccurate detections. Analytical and experimental results are presented to characterize and validate the variation in the dominant component of defect frequency. Based on envelop detection analysis, a modification is recommended in the existing fault diagnostic models to consider the multiples of defect frequency rather than only considering the frequency spectrum at the defect frequency in order to incorporate the impact of multiple points fault.

A Novel VLSI Architecture of Hybrid Image Compression Model based on Reversible Blockade Transform

Image compression can improve the performance of the digital systems by reducing time and cost in image storage and transmission without significant reduction of the image quality. Furthermore, the discrete cosine transform has emerged as the new state-of-the art standard for image compression. In this paper, a hybrid image compression technique based on reversible blockade transform coding is proposed. The technique, implemented over regions of interest (ROIs), is based on selection of the coefficients that belong to different transforms, depending on the coefficients is proposed. This method allows: (1) codification of multiple kernals at various degrees of interest, (2) arbitrary shaped spectrum,and (3) flexible adjustment of the compression quality of the image and the background. No standard modification for JPEG2000 decoder was required. The method was applied over different types of images. Results show a better performance for the selected regions, when image coding methods were employed for the whole set of images. We believe that this method is an excellent tool for future image compression research, mainly on images where image coding can be of interest, such as the medical imaging modalities and several multimedia applications. Finally VLSI implementation of proposed method is shown. It is also shown that the kernal of Hartley and Cosine transform gives the better performance than any other model.

Analog Circuit Design using Genetic Algorithm: Modified

Genetic Algorithm has been used to solve wide range of optimization problems. Some researches conduct on applying Genetic Algorithm to analog circuit design automation. These researches show a better performance due to the nature of Genetic Algorithm. In this paper a modified Genetic Algorithm is applied for analog circuit design automation. The modifications are made to the topology of the circuit. These modifications will lead to a more computationally efficient algorithm.

Pseudo-polynomial Motion Commands for Vibration Suppression of Belt-driven Rotary Platforms

The motion planning technique described in this paper has been developed to eliminate or reduce the residual vibrations of belt-driven rotary platforms, while maintaining unchanged the motion time and the total angular displacement of the platform. The proposed approach is based on a suitable choice of the motion command given to the servomotor that drives the mechanical device; this command is defined by some numerical coefficients which determine the shape of the displacement, velocity and acceleration profiles. Using a numerical optimization technique, these coefficients can be changed without altering the continuity conditions imposed on the displacement and its time derivatives at the initial and final time instants. The proposed technique can be easily and quickly implemented on an actual device, since it requires only a simple modification of the motion command profile mapped in the memory of the electronic motion controller.

Robust Features for Impulsive Noisy Speech Recognition Using Relative Spectral Analysis

The goal of speech parameterization is to extract the relevant information about what is being spoken from the audio signal. In speech recognition systems Mel-Frequency Cepstral Coefficients (MFCC) and Relative Spectral Mel-Frequency Cepstral Coefficients (RASTA-MFCC) are the two main techniques used. It will be shown in this paper that it presents some modifications to the original MFCC method. In our work the effectiveness of proposed changes to MFCC called Modified Function Cepstral Coefficients (MODFCC) were tested and compared against the original MFCC and RASTA-MFCC features. The prosodic features such as jitter and shimmer are added to baseline spectral features. The above-mentioned techniques were tested with impulsive signals under various noisy conditions within AURORA databases.

Online Control of Knitted Fabric Quality: Loop Length Control

Circular knitting machine makes the fabric with more than two knitting tools. Variation of yarn tension between different knitting tools causes different loop length of stitches duration knitting process. In this research, a new intelligent method is applied to control loop length of stitches in various tools based on ideal shape of stitches and real angle of stitches direction while different loop length of stitches causes stitches deformation and deviation those of angle. To measure deviation of stitch direction against variation of tensions, image processing technique was applied to pictures of different fabrics with constant front light. After that, the rate of deformation is translated to needed compensation of loop length cam degree to cure stitches deformation. A fuzzy control algorithm was applied to loop length modification in knitting tools. The presented method was experienced for different knitted fabrics of various structures and yarns. The results show that presented method is useable for control of loop length variation between different knitting tools based on stitch deformation for various knitted fabrics with different fabric structures, densities and yarn types.

A Weighted-Profiling Using an Ontology Basefor Semantic-Based Search

The information on the Web increases tremendously. A number of search engines have been developed for searching Web information and retrieving relevant documents that satisfy the inquirers needs. Search engines provide inquirers irrelevant documents among search results, since the search is text-based rather than semantic-based. Information retrieval research area has presented a number of approaches and methodologies such as profiling, feedback, query modification, human-computer interaction, etc for improving search results. Moreover, information retrieval has employed artificial intelligence techniques and strategies such as machine learning heuristics, tuning mechanisms, user and system vocabularies, logical theory, etc for capturing user's preferences and using them for guiding the search based on the semantic analysis rather than syntactic analysis. Although a valuable improvement has been recorded on search results, the survey has shown that still search engines users are not really satisfied with their search results. Using ontologies for semantic-based searching is likely the key solution. Adopting profiling approach and using ontology base characteristics, this work proposes a strategy for finding the exact meaning of the query terms in order to retrieve relevant information according to user needs. The evaluation of conducted experiments has shown the effectiveness of the suggested methodology and conclusion is presented.

Design of Non-Blocking and Rearrangeable Modified Banyan Network with Electro-Optic MZI Switching Elements

Banyan networks are really attractive for serving as the optical switching architectures due to their unique properties of small depth and absolute signal loss uniformity. The fact has been established that the limitations of blocking nature and the nonavailability of proper connections due to non-rearrangeable property can be easily ruled out using electro-optic MZI switches as basic switching elements. Combination of the horizontal expansion and vertical stacking of optical banyan networks is an appropriate scheme for constructing non-blocking banyan-based optical switching networks. The interconnected banyan switching fabrics (IBSF) have been considered and analyzed to best serve the purpose of optical switching with electro-optic MZI basic elements. The cross/bar state interchange for the switches has been facilitated by appropriate voltage switching or the by the switching of operating wavelength. The paper is dedicated to the modification of the basic switching element being used as well as the architecture of the switching network.

Development of Reliable Web-Based Laboratories for Developing Countries

In online context, the design and implementation of effective remote laboratories environment is highly challenging on account of hardware and software needs. This paper presents the remote laboratory software framework modified from ilab shared architecture (ISA). The ISA is a framework which enables students to remotely acccess and control experimental hardware using internet infrastructure. The need for remote laboratories came after experiencing problems imposed by traditional laboratories. Among them are: the high cost of laboratory equipment, scarcity of space, scarcity of technical personnel along with the restricted university budget creates a significant bottleneck on building required laboratory experiments. The solution to these problems is to build web-accessible laboratories. Remote laboratories allow students and educators to interact with real laboratory equipment located anywhere in the world at anytime. Recently, many universities and other educational institutions especially in third world countries rely on simulations because they do not afford the experimental equipment they require to their students. Remote laboratories enable users to get real data from real-time hand-on experiments. To implement many remote laboratories, the system architecture should be flexible, understandable and easy to implement, so that different laboratories with different hardware can be deployed easily. The modifications were made to enable developers to add more equipment in ISA framework and to attract the new developers to develop many online laboratories.

Modeling and FOS Feedback Based Control of SISO Intelligent Structures with Embedded Shear Sensors and Actuators

Active vibration control is an important problem in structures. The objective of active vibration control is to reduce the vibrations of a system by automatic modification of the system-s structural response. In this paper, the modeling and design of a fast output sampling feedback controller for a smart flexible beam system embedded with shear sensors and actuators for SISO system using Timoshenko beam theory is proposed. FEM theory, Timoshenko beam theory and the state space techniques are used to model the aluminum cantilever beam. For the SISO case, the beam is divided into 5 finite elements and the control actuator is placed at finite element position 1, whereas the sensor is varied from position 2 to 5, i.e., from the nearby fixed end to the free end. Controllers are designed using FOS method and the performance of the designed FOS controller is evaluated for vibration control for 4 SISO models of the same plant. The effect of placing the sensor at different locations on the beam is observed and the performance of the controller is evaluated for vibration control. Some of the limitations of the Euler-Bernoulli theory such as the neglection of shear and axial displacement are being considered here, thus giving rise to an accurate beam model. Embedded shear sensors and actuators have been considered in this paper instead of the surface mounted sensors and actuators for vibration suppression because of lot of advantages. In controlling the vibration modes, the first three dominant modes of vibration of the system are considered.

Photodegradation of Optically Trapped Polystyrene Beads at 442 nm

Polystyrene particles of different sizes are optically trapped with a gaussian beam from a He-Cd laser operating at 442 nm. The particles are observed to exhibit luminescence after a certain trapping time followed by an escape from the optical trap. The observed luminescence is explained in terms of the photodegradation of the polystyrene backbone. It is speculated that these chemical modifications also play a role for the escape of the particles from the trap. Variations of the particle size and the laser power show that these parameters have a great influence on the observed phenomena.

Efficient Implementation of Serial and Parallel Support Vector Machine Training with a Multi-Parameter Kernel for Large-Scale Data Mining

This work deals with aspects of support vector learning for large-scale data mining tasks. Based on a decomposition algorithm that can be run in serial and parallel mode we introduce a data transformation that allows for the usage of an expensive generalized kernel without additional costs. In order to speed up the decomposition algorithm we analyze the problem of working set selection for large data sets and analyze the influence of the working set sizes onto the scalability of the parallel decomposition scheme. Our modifications and settings lead to improvement of support vector learning performance and thus allow using extensive parameter search methods to optimize classification accuracy.

Sorptive Storage of Natural Gas on Molecular Sieves: Dynamic Investigation

In recent years, there have been attempts to store natural gas in adsorptive form. This is called adsorptive natural gas, or ANG. The problem with this technology is the low sorption capacity. The purpose is to achieve compressed natural gas (CNG) capacity of 230 V/V. Further research is required to achieve such target. Several research studies have been performed with this target; through either the modification or development of new sorbents or the optimization of the operation sorption process itself. In this work, storage of methane on molecular sieves 5A and 13X was studied on dry basis, and on wet basis to certain extent. The temperature and the pressure dynamics were investigated. The results indicated that regardless of the charge pressure, the time for the peak temperature during the methane charge process is always the same. This can be used as a characteristic of the adsorbent. The total achieved deliveries using molecular sieves were much lower than that of activated carbons; 53.0 V/V for the case of 13X molecular sieves and 43 V/V for the case of 5A molecular sieves, both at 2oC and 4 MPa (580 psi). Investigation of charge pressure dynamic using wet molecular sieves at 2oC and a mass ratio of 0.5, revealed slowness of the process and unexpected behavior.

Modification of the Conventional Power Flow Analysis for the Deployment of an HVDC Grid System in the Indian Subcontinent

The Indian subcontinent is facing a massive challenge with regards to the energy security in member countries, i.e. providing a reliable source of electricity to facilitate development across various sectors of the economy and thereby achieve the developmental targets it has set for itself. A highly precarious situation exists in the subcontinent which is observed in the series of system failures which most of the times leads to system collapses-blackouts. To mitigate the issues related with energy security as well as keep in check the increasing supply demand gap, a possible solution that stands in front of the subcontinent is the deployment of an interconnected electricity ‘Supergrid’ designed to carry huge quanta of power across the sub continent as well as provide the infra structure for RES integration. This paper assesses the need and conditions for a Supergrid deployment and consequently proposes a meshed topology based on VSC HVDC converters for the Supergrid modeling.

Fuzzy Shortest Paths Approximation for Solving the Fuzzy Steiner Tree Problem in Graphs

In this paper, we deal with the Steiner tree problem (STP) on a graph in which a fuzzy number, instead of a real number, is assigned to each edge. We propose a modification of the shortest paths approximation based on the fuzzy shortest paths (FSP) evaluations. Since a fuzzy min operation using the extension principle leads to nondominated solutions, we propose another approach to solving the FSP using Cheng's centroid point fuzzy ranking method.

Modeling Peer-to-Peer Networks with Interest-Based Clusters

In the world of Peer-to-Peer (P2P) networking different protocols have been developed to make the resource sharing or information retrieval more efficient. The SemPeer protocol is a new layer on Gnutella that transforms the connections of the nodes based on semantic information to make information retrieval more efficient. However, this transformation causes high clustering in the network that decreases the number of nodes reached, therefore the probability of finding a document is also decreased. In this paper we describe a mathematical model for the Gnutella and SemPeer protocols that captures clustering-related issues, followed by a proposition to modify the SemPeer protocol to achieve moderate clustering. This modification is a sort of link management for the individual nodes that allows the SemPeer protocol to be more efficient, because the probability of a successful query in the P2P network is reasonably increased. For the validation of the models, we evaluated a series of simulations that supported our results.

A Modification on Newton's Method for Solving Systems of Nonlinear Equations

In this paper, we are concerned with the further study for system of nonlinear equations. Since systems with inaccurate function values or problems with high computational cost arise frequently in science and engineering, recently such systems have attracted researcher-s interest. In this work we present a new method which is independent of function evolutions and has a quadratic convergence. This method can be viewed as a extension of some recent methods for solving mentioned systems of nonlinear equations. Numerical results of applying this method to some test problems show the efficiently and reliability of method.