Discovery of Human HMG-Coa Reductase Inhibitors Using Structure-Based Pharmacophore Modeling Combined with Molecular Dynamics Simulation Methodologies

3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR) catalyzes the conversion of HMG-CoA to mevalonate using NADPH and the enzyme is involved in rate-controlling step of mevalonate. Inhibition of HMGR is considered as effective way to lower cholesterol levels so it is drug target to treat hypercholesterolemia, major risk factor of cardiovascular disease. To discover novel HMGR inhibitor, we performed structure-based pharmacophore modeling combined with molecular dynamics (MD) simulation. Four HMGR inhibitors were used for MD simulation and representative structure of each simulation were selected by clustering analysis. Four structure-based pharmacophore models were generated using the representative structure. The generated models were validated used in virtual screening to find novel scaffolds for inhibiting HMGR. The screened compounds were filtered by applying drug-like properties and used in molecular docking. Finally, four hit compounds were obtained and these complexes were refined using energy minimization. These compounds might be potential leads to design novel HMGR inhibitor.

A New Edit Distance Method for Finding Similarity in Dna Sequence

The P-Bigram method is a string comparison methods base on an internal two characters-based similarity measure. The edit distance between two strings is the minimal number of elementary editing operations required to transform one string into the other. The elementary editing operations include deletion, insertion, substitution two characters. In this paper, we address the P-Bigram method to sole the similarity problem in DNA sequence. This method provided an efficient algorithm that locates all minimum operation in a string. We have been implemented algorithm and found that our program calculated that smaller distance than one string. We develop PBigram edit distance and show that edit distance or the similarity and implementation using dynamic programming. The performance of the proposed approach is evaluated using number edit and percentage similarity measures.

Separation of Dissolved Gas for Breathing of a Human against Sudden Waves Using Hollow Fiber Membranes

The separation of dissolved gas including dissolved oxygen can be used in breathing for a human under water. When one is suddenly wrecked or meets a tsunami, one is instantly drowned and cannot breathe under water. To avoid this crisis, when we meet waves, the dissolved gas separated from water by wave is used, while air can be used to breathe when we are about to escape from water. In this thesis, we investigated the separation characteristics of dissolved gas using the pipe type of hollow fiber membrane with polypropylene and the nude type of one with polysulfone. The hollow fiber membranes with good characteristics under water are used to separate the dissolved gas. The hollow fiber membranes with good characteristics in an air are used to transfer air. The combination of membranes with good separation characteristics under water and good transferring one in an air is used to breathe instantly under water to be alive at crisis. These results showed that polypropylene represented better performance than polysulfone under both of air and water conditions.

Estimating the Absorption of Volatile Organic Compounds in Four Biodiesels Using the UNIFAC Procedure

This work considered the thermodynamic feasibility of scrubbing volatile organic compounds into biodiesel in view of designing a gas treatment process with this absorbent. A detailed vapour – liquid equilibrium investigation was performed using the original UNIFAC group contribution method. The four biodiesels studied in this work are methyl oleate, methyl palmitate, methyl linolenate and ethyl stearate. The original UNIFAC procedure was used to estimate the infinite dilution activity coefficients of 13 selected volatile organic compounds in the biodiesels. The calculations were done at the VOC mole fraction of 9.213x10-8. Ethyl stearate gave the most favourable phase equilibrium. A close agreement was found between the infinite dilution activity coefficient of toluene found in this work and those reported in literature. Thermodynamic models can efficiently be used to calculate vast amount of phase equilibrium behaviour using limited number of experimental data.

Optimization Based Obstacle Avoidance

Based on a non-linear single track model which describes the dynamics of vehicle, an optimal path planning strategy is developed. Real time optimization is used to generate reference control values to allow leading the vehicle alongside a calculated lane which is optimal for different objectives such as energy consumption, run time, safety or comfort characteristics. Strict mathematic formulation of the autonomous driving allows taking decision on undefined situation such as lane change or obstacle avoidance. Based on position of the vehicle, lane situation and obstacle position, the optimization problem is reformulated in real-time to avoid the obstacle and any car crash.

Combining Ant Colony Optimization and Dynamic Programming for Solving a Dynamic Facility Layout Problem

This paper presents an algorithm which combining ant colony optimization in the dynamic programming for solving a dynamic facility layout problem. The problem is separated into 2 phases, static and dynamic phase. In static phase, ant colony optimization is used to find the best ranked of layouts for each period. Then the dynamic programming (DP) procedure is performed in the dynamic phase to evaluate the layout set during multi-period planning horizon. The proposed algorithm is tested over many problems with size ranging from 9 to 49 departments, 2 and 4 periods. The experimental results show that the proposed method is an alternative way for the plant layout designer to determine the layouts during multi-period planning horizon.

Industrial Development, Environment And Occupational Problems: The Case Of Iran

There are three distinct stages in the evolution of economic thought, namely: 1. in the first stage, the major concern was to accelerate economic growth with increased availability of material goods, especially in developing economies with very low living standards, because poverty eradication meant faster economic growth. 2. in the second stage, economists made distinction between growth and development. Development was seen as going beyond economic growth, and bringing certain changes in the structure of the economy with more equitable distribution of the benefits of growth, with the growth coming automatic and sustained. 3. the third stage is now reached. Our concern is now with “sustainable development", that is, development not only for the present but also of the future. Thus the focus changed from “sustained growth" to “sustained development". Sustained development brings to the fore the long term relationship between the ecology and economic development. Since the creation of UNEP in 1972 it has worked for development without destruction for environmentally sound and sustained development. It was realised that the environment cannot be viewed in a vaccum, it is not separate from development, nor is it competing. It suggested for the integration of the environment with development whereby ecological factors enter development planning, socio-economic policies, cost-benefit analysis, trade, technology transfer, waste management, educational and other specific areas. Industrialisation has contributed to the growth of economy of several countries. It has improved the standards of living of its people and provided benefits to the society. It has also created in the process great environmental problems like climate change, forest destruction and denudation, soil erosion and desertification etc. On the other hand, industry has provided jobs and improved the prospects of wealth for the industrialists. The working class communities had to simply put up with the high levels of pollution in order to keep up their jobs and also to save their income. There are many roots of the environmental problem. They may be political, economic, cultural and technological conditions of the modern society. The experts concede that industrial growth lies somewhere close to the heart of the matter. Therefore, the objective of this paper is not to document all roots of an environmental crisis but rather to discuss the effects of industrial growth and development. We have come to the conclusion that although public intervention is often unnecessary to ensure that perfectly competitive markets will function in society-s best interests, such intervention is necessary when firms or consumers pollute.

Dynamic Slope Scaling Procedure for Stochastic Integer Programming Problem

Mathematical programming has been applied to various problems. For many actual problems, the assumption that the parameters involved are deterministic known data is often unjustified. In such cases, these data contain uncertainty and are thus represented as random variables, since they represent information about the future. Decision-making under uncertainty involves potential risk. Stochastic programming is a commonly used method for optimization under uncertainty. A stochastic programming problem with recourse is referred to as a two-stage stochastic problem. In this study, we consider a stochastic programming problem with simple integer recourse in which the value of the recourse variable is restricted to a multiple of a nonnegative integer. The algorithm of a dynamic slope scaling procedure for solving this problem is developed by using a property of the expected recourse function. Numerical experiments demonstrate that the proposed algorithm is quite efficient. The stochastic programming model defined in this paper is quite useful for a variety of design and operational problems.

Fortification for P2P Grid Computing Used for Resource Discovery

Grid computing provides an effective infrastructure for massive computation among flexible and dynamic collection of individual system for resource discovery. The major challenge for grid computing is to prevent breaches and secure the data from trespassers. To overcome such conflicts a semantic approach can be designed which will filter the access requests of peers by checking the resource description specifying the data and the metadata as factual statements. Between every node in the grid a semantic firewall as a middleware will be present The intruder will be required to present an application specifying there needs to the firewall and hence accordingly the system will grant or deny the application request.

Fast Codevector Search Algorithm for 3-D Vector Quantized Codebook

This paper presents a very simple and efficient algorithm for codebook search, which reduces a great deal of computation as compared to the full codebook search. The algorithm is based on sorting and centroid technique for search. The results table shows the effectiveness of the proposed algorithm in terms of computational complexity. In this paper we also introduce a new performance parameter named as Average fractional change in pixel value as we feel that it gives better understanding of the closeness of the image since it is related to the perception. This new performance parameter takes into consideration the average fractional change in each pixel value.

Modeling and Visualizing Seismic Wave Propagation in Elastic Medium Using Multi-Dimension Wave Digital Filtering Approach

A novel PDE solver using the multidimensional wave digital filtering (MDWDF) technique to achieve the solution of a 2D seismic wave system is presented. In essence, the continuous physical system served by a linear Kirchhoff circuit is transformed to an equivalent discrete dynamic system implemented by a MD wave digital filtering (MDWDF) circuit. This amounts to numerically approximating the differential equations used to describe elements of a MD passive electronic circuit by a grid-based difference equations implemented by the so-called state quantities within the passive MDWDF circuit. So the digital model can track the wave field on a dense 3D grid of points. Details about how to transform the continuous system into a desired discrete passive system are addressed. In addition, initial and boundary conditions are properly embedded into the MDWDF circuit in terms of state quantities. Graphic results have clearly demonstrated some physical effects of seismic wave (P-wave and S–wave) propagation including radiation, reflection, and refraction from and across the hard boundaries. Comparison between the MDWDF technique and the finite difference time domain (FDTD) approach is also made in terms of the computational efficiency.

Design of a Tube Vent to Enhance the Role of Roof Solar Collector

The objective of this paper was to designing a ventilation system to enhance the performance of roof solar collector (RSC) for reducing heat accumulation inside the house. The RSC has 1.8 m2 surface area made of CPAC monier roof tiles on the upper part and gypsum board on the lower part. The space between CPAC monier and gypsum board was fixed at 14 cm. Ventilation system of modified roof solar collector (modified RSC) consists of 9 tubes of 0.15m diameter and installed in the lower part of RSC. Experimental result showed that the temperature of the room, and attic temperature. The average temperature reduction of room of house used modified RSC is about 2oC. and the percentage of room temperature reduction varied between 0 to 10%. Therefore, modified RSC is an interesting option in the sense that it promotes solar energy and conserve energy.

An Innovational Intermittent Algorithm in Networks-On-Chip (NOC)

Every day human life experiences new equipments more automatic and with more abilities. So the need for faster processors doesn-t seem to finish. Despite new architectures and higher frequencies, a single processor is not adequate for many applications. Parallel processing and networks are previous solutions for this problem. The new solution to put a network of resources on a chip is called NOC (network on a chip). The more usual topology for NOC is mesh topology. There are several routing algorithms suitable for this topology such as XY, fully adaptive, etc. In this paper we have suggested a new algorithm named Intermittent X, Y (IX/Y). We have developed the new algorithm in simulation environment to compare delay and power consumption with elders' algorithms.

Automatically-generated Concept Maps as a Learning Tool

Concept maps can be generated manually or automatically. It is important to recognize differences of the two types of concept maps. The automatically generated concept maps are dynamic, interactive, and full of associations between the terms on the maps and the underlying documents. Through a specific concept mapping system, Visual Concept Explorer (VCE), this paper discusses how automatically generated concept maps are different from manually generated concept maps and how different applications and learning opportunities might be created with the automatically generated concept maps. The paper presents several examples of learning strategies that take advantages of the automatically generated concept maps for concept learning and exploration.

Performance Assessment of Computational Gridon Weather Indices from HOAPS Data

Long term rainfall analysis and prediction is a challenging task especially in the modern world where the impact of global warming is creating complications in environmental issues. These factors which are data intensive require high performance computational modeling for accurate prediction. This research paper describes a prototype which is designed and developed on grid environment using a number of coupled software infrastructural building blocks. This grid enabled system provides the demanding computational power, efficiency, resources, user-friendly interface, secured job submission and high throughput. The results obtained using sequential execution and grid enabled execution shows that computational performance has enhanced among 36% to 75%, for decade of climate parameters. Large variation in performance can be attributed to varying degree of computational resources available for job execution. Grid Computing enables the dynamic runtime selection, sharing and aggregation of distributed and autonomous resources which plays an important role not only in business, but also in scientific implications and social surroundings. This research paper attempts to explore the grid enabled computing capabilities on weather indices from HOAPS data for climate impact modeling and change detection.

Neural Network Control of a Biped Robot Model with Composite Adaptation Low

this paper presents a novel neural network controller with composite adaptation low to improve the trajectory tracking problems of biped robots comparing with classical controller. The biped model has 5_link and 6 degrees of freedom and actuated by Plated Pneumatic Artificial Muscle, which have a very high power to weight ratio and it has large stoke compared to similar actuators. The proposed controller employ a stable neural network in to approximate unknown nonlinear functions in the robot dynamics, thereby overcoming some limitation of conventional controllers such as PD or adaptive controllers and guarantee good performance. This NN controller significantly improve the accuracy requirements by retraining the basic PD/PID loop, but adding an inner adaptive loop that allows the controller to learn unknown parameters such as friction coefficient, therefore improving tracking accuracy. Simulation results plus graphical simulation in virtual reality show that NN controller tracking performance is considerably better than PD controller tracking performance.

A PSO-based End-Member Selection Method for Spectral Unmixing of Multispectral Satellite Images

An end-member selection method for spectral unmixing that is based on Particle Swarm Optimization (PSO) is developed in this paper. The algorithm uses the K-means clustering algorithm and a method of dynamic selection of end-members subsets to find the appropriate set of end-members for a given set of multispectral images. The proposed algorithm has been successfully applied to test image sets from various platforms such as LANDSAT 5 MSS and NOAA's AVHRR. The experimental results of the proposed algorithm are encouraging. The influence of different values of the algorithm control parameters on performance is studied. Furthermore, the performance of different versions of PSO is also investigated.

A Tutorial on Dynamic Simulation of DC Motor and Implementation of Kalman Filter on a Floating Point DSP

With the advent of inexpensive 32 bit floating point digital signal processor-s availability in market, many computationally intensive algorithms such as Kalman filter becomes feasible to implement in real time. Dynamic simulation of a self excited DC motor using second order state variable model and implementation of Kalman Filter in a floating point DSP TMS320C6713 is presented in this paper with an objective to introduce and implement such an algorithm, for beginners. A fractional hp DC motor is simulated in both Matlab® and DSP and the results are included. A step by step approach for simulation of DC motor in Matlab® and “C" routines in CC Studio® is also given. CC studio® project file details and environmental setting requirements are addressed. This tutorial can be used with 6713 DSK, which is based on floating point DSP and CC Studio either in hardware mode or in simulation mode.

Determinants of the U.S. Current Account

This article provides empirical evidence on the effect of domestic and international factors on the U.S. current account deficit. Linear dynamic regression and vector autoregression models are employed to estimate the relationships during the period from 1986 to 2011. The findings of this study suggest that the current and lagged private saving rate and foreign current account for East Asian economies have played a vital role in affecting the U.S. current account. Additionally, using Granger causality tests and variance decompositions, the change of the productivity growth and foreign domestic demand are determined to influence significantly the change of the U.S. current account. To summarize, the empirical relationship between the U.S. current account deficit and its determinants is sensitive to alternative regression models and specifications.

Alcoholic Extract of Terminalia Arjuna Protects Rabbit Heart against Ischemic-Reperfusion Injury: Role of Antioxidant Enzymes and Heat Shock Protein

The present study was designed to investigate the cardio protective role of chronic oral administration of alcoholic extract of Terminalia arjuna in in-vivo ischemic reperfusion injury and the induction of HSP72. Rabbits, divided into three groups, and were administered with the alcoholic extract of the bark powder of Terminalia arjuna (TAAE) by oral gavage [6.75mg/kg: (T1) and 9.75mg/kg: (T2), 6 days /week for 12 weeks]. In open-chest Ketamine pentobarbitone anaesthetized rabbits, the left anterior descending coronary artery was occluded for 15 min of ischemia followed by 60 min of reperfusion. In the vehicle-treated group, ischemic-reperfusion injury (IRI) was evidenced by depression of global hemodynamic function (MAP, HR, LVEDP, peak LV (+) & (- ) (dP/dt) along with depletion of HEP compounds. Oxidative stress in IRI was evidenced by, raised levels of myocardial TBARS and depletion of endogenous myocardial antioxidants GSH, SOD and catalase. Western blot analysis showed a single band corresponding to 72 kDa in homogenates of hearts from rabbits treated with both the doses. In the alcoholic extract of the bark powder of Terminalia arjuna treatment groups, both the doses had better recovery of myocardial hemodynamic function, with significant reduction in TBARS, and rise in SOD, GSH, catalase were observed. The results of the present study suggest that the alcoholic extract of the bark powder of Terminalia arjuna in rabbit induces myocardial HSP 72 and augments myocardial endogenous antioxidants, without causing any cellular injury and offered better cardioprotection against oxidative stress associated with myocardial IR injury.