Molecular Docking Studies of Mycobacterium tuberculosis RNA Polymerase β Subunit (rpoB) Receptor

Tuberculosis (TB) is a bacterial infectious disease caused by the obligate human pathogen, Mycobacterium tuberculosis. Multidrug-resistant tuberculosis (MDR-TB) is a global reality that threatens tuberculosis control. Resistance to antibiotic Rifampicin, occurs in 95% of cases through nucleotide substitutions in an 81-bp core region of the rpoB i.e; beta subunit of DNA dependant RNA polymerase. In this paper, we studied the Rifampicin-rpoB receptor interactions In silico. First, homology modeling was performed to obtain the three dimensional structure of Mycobacterium rpoB. Sixty analogs of Rifampicin were prepared using Marvin sketch software. Both original Rifampicin and the analogs were docked with rpoB and energy values were obtained. Out of sixty analogs, 43 analogs had lesser energy values than conventional Rifampicin and hence are predicted to have greater binding affinity to rpoB. Thus, this study offers a route for the development of Rifampicin analogs against multi drug resistant Mycobacterium rpoB.

The Homotopy Analysis Method for Solving Discontinued Problems Arising in Nanotechnology

This paper applies the homotopy analysis method method to a nonlinear differential-difference equation arising in nanotechnology. Continuum hypothesis on nanoscales is invalid, and a differential-difference model is considered as an alternative approach to describing discontinued problems. Comparison of the approximate solution with the exact one reveals that the method is very effective.

Application of Homotopy Perturbation Method to Solve Steady Flow of Walter B Fluid A Vertical Channel In Porous Media

In this article, a simulation method called the Homotopy Perturbation Method (HPM) is employed in the steady flow of a Walter's B' fluid in a vertical channel with porous wall. We employed Homotopy Perturbation Method to derive solution of a nonlinear form of equation obtained from exerting similarity transforming to the ordinary differential equation gained from continuity and momentum equations of this kind of flow. The results obtained from the Homotopy Perturbation Method are then compared with those from the Runge–Kutta method in order to verify the accuracy of the proposed method. The results show that the Homotopy Perturbation Method can achieve good results in predicting the solution of such problems. Ultimately we use this solution to obtain the other terms of velocities and physical discussion about it.

[Ti(OC4H9)4/2,5-Dimethoxytetrahydrofuran/ TEA/Ethylene Chlorobromide] as a Novel Homogeneous Catalyst System Effective for the Ethylene Dimerization Reaction

In the present research, the titanium-catalyzed ethylene dimerization and more specifically, the concomitant byproducts and polymer formation have been studied in the presence of 2,5-dimethoxytetrahydrofuran as an electron donor compound in the combination with triethylaluminium (TEA) as activator. Then, we added ethylene chlorobromide as a new efficient promoter to the relevant catalyst system. Finally, the behavior of novel homogeneous [Titanium tetrabutoxide (Ti(OC4H9)4)/2,5-dimethoxytetrahydrofuran/ TEA/ethylene chlorobromide] was investigated in the various operating conditions for the optimum production of 1-butene. In the optimum conditions, a very high ethylene conversion (almost 90.77 %), a relative high selectivity to 1-butene (79.00 %), yield of reaction equal to 71.70 % and a significant productivity (turnover frequency equal to 1370 h-1) were achieved.

Combining Diverse Neural Classifiers for Complex Problem Solving: An ECOC Approach

Combining classifiers is a useful method for solving complex problems in machine learning. The ECOC (Error Correcting Output Codes) method has been widely used for designing combining classifiers with an emphasis on the diversity of classifiers. In this paper, in contrast to the standard ECOC approach in which individual classifiers are chosen homogeneously, classifiers are selected according to the complexity of the corresponding binary problem. We use SATIMAGE database (containing 6 classes) for our experiments. The recognition error rate in our proposed method is %10.37 which indicates a considerable improvement in comparison with the conventional ECOC and stack generalization methods.

The Role of Cognitive Decision Effort in Electronic Commerce Recommendation System

The purpose of this paper is to explore the role of cognitive decision effort in recommendation system, combined with indicators "information quality" and "service quality" from IS success model to exam the awareness of the user for the "recommended system performance". A total of 411 internet user answered a questionnaire assessing their attention of use and satisfaction of recommendation system in internet book store. Quantitative result indicates following research results. First, information quality of recommended system has obvious influence in consumer shopping decision-making process, and the attitude to use the system. Second, in the process of consumer's shopping decision-making, the recommendation system has no significant influence for consumers to pay lower cognitive decision-making effort. Third, e-commerce platform provides recommendations and information is necessary, but the quality of information on user needs must be considered, or they will be other competitors offer homogeneous services replaced.

Antifungal Activity of Silver Colloidal Nanoparticles against Phytopathogenic Fungus (Phomopsis sp.) in Soybean Seeds

Among the many promising nanomaterials with antifungal properties, metal nanoparticles (silver nanoparticles) stand out due to their high chemical activity. Therefore, the aim of this study was to evaluate the effect of silver nanoparticles (AgNPs) against Phomopsis sp. AgNPs were synthesized by silver nitrate reduction with sodium citrate and stabilized with ammonia. The synthesized AgNPs have further been characterized by UV/Visible spectroscopy, Biophysical techniques like Dynamic light scattering (DLS) and Scanning Electron Microscopy (SEM). The average diameter of the prepared silver colloidal nanoparticles was about 52 nm. Absolute inhibitions (100%) were observed on treated with a 270 and 540 µg ml-1 concentration of AgNPs. The results from the study of the AgNPs antifungal effect are significant and suggest that the synthesized silver nanoparticles may have an advantage compared with conventional fungicides.

Accurate Calculation of Free Frequencies of Beams and Rectangular Plates

An accurate procedure to determine free vibrations of beams and plates is presented. The natural frequencies are exact solutions of governing vibration equations witch load to a nonlinear homogeny system. The bilinear and linear structures considered simulate a bridge. The dynamic behavior of this one is analyzed by using the theory of the orthotropic plate simply supported on two sides and free on the two others. The plate can be excited by a convoy of constant or harmonic loads. The determination of the dynamic response of the structures considered requires knowledge of the free frequencies and the shape modes of vibrations. Our work is in this context. Indeed, we are interested to develop a self-consistent calculation of the Eigen frequencies. The formulation is based on the determination of the solution of the differential equations of vibrations. The boundary conditions corresponding to the shape modes permit to lead to a homogeneous system. Determination of the noncommonplace solutions of this system led to a nonlinear problem in Eigen frequencies. We thus, develop a computer code for the determination of the eigenvalues. It is based on a method of bisection with interpolation whose precision reaches 10 -12. Moreover, to determine the corresponding modes, the calculation algorithm that we develop uses the method of Gauss with a partial optimization of the "pivots" combined with an inverse power procedure. The Eigen frequencies of a plate simply supported along two opposite sides while considering the two other free sides are thus analyzed. The results could be generalized with the case of a beam by regarding it as a plate with low width. We give, in this paper, some examples of treated cases. The comparison with results presented in the literature is completely satisfactory.

Pseudo-Homogeneous Kinetic of Dilute-Acid Hydrolysis of Rice Husk for Ethanol Production: Effect of Sugar Degradation

Rice husk is a lignocellulosic source that can be converted to ethanol. Three hundreds grams of rice husk was mixed with 1 L of 0.18 N sulfuric acid solutions then was heated in an autoclave. The reaction was expected to be at constant temperature (isothermal), but before that temperature was achieved, reaction has occurred. The first liquid sample was taken at temperature of 140 0C and repeated every 5 minute interval. So the data obtained are in the regions of non-isothermal and isothermal. It was observed that the degradation has significant effects on the ethanol production. The kinetic constants can be expressed by Arrhenius equation with the frequency factors for hydrolysis and sugar degradation of 1.58 x 105 1/min and 2.29 x 108 L/mole/min, respectively, while the activation energies are 64,350 J/mole and 76,571 J/mole. The highest ethanol concentration from fermentation is 1.13% v/v, attained at 220 0C.

A New Robust Stability Criterion for Dynamical Neural Networks with Mixed Time Delays

In this paper, we investigate the problem of the existence, uniqueness and global asymptotic stability of the equilibrium point for a class of neural networks, the neutral system has mixed time delays and parameter uncertainties. Under the assumption that the activation functions are globally Lipschitz continuous, we drive a new criterion for the robust stability of a class of neural networks with time delays by utilizing the Lyapunov stability theorems and the Homomorphic mapping theorem. Numerical examples are given to illustrate the effectiveness and the advantage of the proposed main results.

Data Envelopment Analysis under Uncertainty and Risk

Data Envelopment Analysis (DEA) is one of the most widely used technique for evaluating the relative efficiency of a set of homogeneous decision making units. Traditionally, it assumes that input and output variables are known in advance, ignoring the critical issue of data uncertainty. In this paper, we deal with the problem of efficiency evaluation under uncertain conditions by adopting the general framework of the stochastic programming. We assume that output parameters are represented by discretely distributed random variables and we propose two different models defined according to a neutral and risk-averse perspective. The models have been validated by considering a real case study concerning the evaluation of the technical efficiency of a sample of individual firms operating in the Italian leather manufacturing industry. Our findings show the validity of the proposed approach as ex-ante evaluation technique by providing the decision maker with useful insights depending on his risk aversion degree.

Dispersion of a Solute in Peristaltic Motion of a Couple Stress Fluid through a Porous Medium with Slip Condition

The paper presents an analytical solution for dispersion of a solute in the peristaltic motion of a couple stress fluid through a porous medium with slip condition in the presence of both homogeneous and heterogeneous chemical reactions. The average effective dispersion coefficient has been found using Taylor-s limiting condition and long wavelength approximation. The effects of various relevant parameters on the average coefficient of dispersion have been studied. The average effective dispersion coefficient tends to increase with permeability parameter but tends to decrease with homogeneous chemical reaction rate parameter, couple stress parameter, slip parameter and heterogeneous reaction rate parameter.

Research of Linear Camera Calibration Based on Planar Pattern

An important step in three-dimensional reconstruction and computer vision is camera calibration, whose objective is to estimate the intrinsic and extrinsic parameters of each camera. In this paper, two linear methods based on the different planes are given. In both methods, the general plane is used to replace the calibration object with very good precision. In the first method, after controlling the camera to undergo five times- translation movements and taking pictures of the orthogonal planes, a set of linear constraints of the camera intrinsic parameters is then derived by means of homography matrix. The second method is to get all camera parameters by taking only one picture of a given radius circle. experiments on simulated data and real images,indicate that our method is reasonable and is a good supplement to camera calibration.

Free Flapping Vibration of Rotating Inclined Euler Beams

A method based on the power series solution is proposed to solve the natural frequency of flapping vibration for the rotating inclined Euler beam with constant angular velocity. The vibration of the rotating beam is measured from the position of the corresponding steady state axial deformation. In this paper the governing equations for linear vibration of a rotating Euler beam are derived by the d'Alembert principle, the virtual work principle and the consistent linearization of the fully geometrically nonlinear beam theory in a rotating coordinate system. The governing equation for flapping vibration of the rotating inclined Euler beam is linear ordinary differential equation with variable coefficients and is solved by a power series with four independent coefficients. Substituting the power series solution into the corresponding boundary conditions at two end nodes of the rotating beam, a set of homogeneous equations can be obtained. The natural frequencies may be determined by solving the homogeneous equations using the bisection method. Numerical examples are studied to investigate the effect of inclination angle on the natural frequency of flapping vibration for rotating inclined Euler beams with different angular velocity and slenderness ratio.

On the Robust Stability of Homogeneous Perturbed Large-Scale Bilinear Systems with Time Delays and Constrained Inputs

The stability test problem for homogeneous large-scale perturbed bilinear time-delay systems subjected to constrained inputs is considered in this paper. Both nonlinear uncertainties and interval systems are discussed. By utilizing the Lyapunove equation approach associated with linear algebraic techniques, several delay-independent criteria are presented to guarantee the robust stability of the overall systems. The main feature of the presented results is that although the Lyapunov stability theorem is used, they do not involve any Lyapunov equation which may be unsolvable. Furthermore, it is seen the proposed schemes can be applied to solve the stability analysis problem of large-scale time-delay systems.

Predicting Protein-Protein Interactions from Protein Sequences Using Phylogenetic Profiles

In this study, a high accuracy protein-protein interaction prediction method is developed. The importance of the proposed method is that it only uses sequence information of proteins while predicting interaction. The method extracts phylogenetic profiles of proteins by using their sequence information. Combining the phylogenetic profiles of two proteins by checking existence of homologs in different species and fitting this combined profile into a statistical model, it is possible to make predictions about the interaction status of two proteins. For this purpose, we apply a collection of pattern recognition techniques on the dataset of combined phylogenetic profiles of protein pairs. Support Vector Machines, Feature Extraction using ReliefF, Naive Bayes Classification, K-Nearest Neighborhood Classification, Decision Trees, and Random Forest Classification are the methods we applied for finding the classification method that best predicts the interaction status of protein pairs. Random Forest Classification outperformed all other methods with a prediction accuracy of 76.93%

Agent-Based Offline Electronic Voting

Many electronic voting systems, classified mainly as homomorphic cryptography based, mix-net based and blind signature based, appear after the eighties when zero knowledge proofs were introduced. The common ground for all these three systems is that none of them works without real time cryptologic calculations that should be held on a server. As far as known, the agent-based approach has not been used in a secure electronic voting system. In this study, an agent-based electronic voting schema, which does not contain real time calculations on the server side, is proposed. Conventional cryptologic methods are used in the proposed schema and some of the requirements of an electronic voting system are constructed within the schema. The schema seems quite secure if the used cryptologic methods and agents are secure. In this paper, proposed schema will be explained and compared with already known electronic voting systems.

Optical Limiting Characteristics of Core-Shell Nanoparticles

TiO2 nanoparticles were synthesized by hydrothermal method at 180°C from TiOSO4 aqueous solution with1m/l concentration. The obtained products were coated with silica by means of a seeded polymerization technique for a coating time of 1440 minutes to obtain well defined TiO2@SiO2 core-shell structure. The uncoated and coated nanoparticles were characterized by using X-Ray diffraction technique (XRD), Fourier Transform Infrared Spectroscopy (FT-IR) to study their physico-chemical properties. Evidence from XRD and FTIR results show that SiO2 is homogenously coated on the surface of titania particles. FTIR spectra show that there exists an interaction between TiO2 and SiO2 and results in the formation of Ti-O-Si chemical bonds at the interface of TiO2 particles and SiO2 coating layer. The non linear optical limiting properties of TiO2 and TiO2@SiO2 nanoparticles dispersed in ethylene glycol were studied at 532nm using 5ns Nd:YAG laser pulses. Three-photon absorption is responsible for optical limiting characteristics in these nanoparticles and it is seen that the optical nonlinearity is enhanced in core-shell structures when compared with single counterparts. This effective three-photon type absorption at this wavelength, is of potential application in fabricating optical limiting devices.

Experimental Determination of Large Strain Localization in Cut Steel Chips

Metal cutting is a severe plastic deformation process involving large strains, high strain rates, and high temperatures. Conventional analysis of the chip formation process is based on bulk material deformation disregarding the inhomogeneous nature of the material microstructure. A series of orthogonal cutting tests of AISI 1045 and 1144 steel were conducted which yielded similar process characteristics and chip formations. With similar shear angles and cut chip thicknesses, shear strains for both chips were found to range from 2.0 up to 2.8. The manganese-sulfide (MnS) precipitate in the 1144 steel has a very distinct and uniform shape which allows for comparison before and after chip formation. From close observations of MnS precipitates in the cut chips it is shown that the conventional approach underestimates plastic strains in metal cutting. Experimental findings revealed local shear strains around a value of 6. These findings and their implications are presented and discussed.

Central Pattern Generator Incorporating the Actuator Dynamics for a Hexapod Robot

We proposed the use of a Toda-Rayleigh ring as a central pattern generator (CPG) for controlling hexapodal robots. We show that the ring composed of six Toda-Rayleigh units coupled to the limb actuators reproduces the most common hexapodal gaits. We provide an electrical circuit implementation of the CPG and test our theoretical results obtaining fixed gaits. Then we propose a method of incorporation of the actuator (motor) dynamics in the CPG. With this approach we close the loop CPG – environment – CPG, thus obtaining a decentralized model for the leg control that does not require higher level intervention to the CPG during locomotion in a nonhomogeneous environments. The gaits generated by the novel CPG are not fixed, but adapt to the current robot bahvior.