Search results for: Quaternion linear functional.

Authors: Adnan Mazari, Engin Akcagun, Antonin Havelka, Funda Buyuk Mazari, Pavel Kejzlar

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This article experimentally investigates various physical properties of special fire retardant sewing threads under different sewing speeds. The aramid threads are common for sewing the fire-fighter clothing due to high strength and high melting temperature. 3 types of aramid threads with different linear densities are used for sewing at different speed of 2000 to 4000 r/min. The needle temperature is measured at different speeds of sewing and tensile properties of threads are measured before and after the sewing process respectively. The results shows that the friction and abrasion during the sewing process causes a significant loss to the tensile properties of the threads and needle temperature rises to nearly 300^oC at 4000 r/min of machine speed. The Scanning electron microscope images are taken before and after the sewing process and shows no melting spots but significant damage to the yarn. It is also found that machine speed of 2000r/min is ideal for sewing firefighter clothing for higher tensile properties and production.

Keywords: Kevlar, needle temperature, Nomex, sewing.

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Authors: Aditi Shukla, Ambarish S. Vidyarthi, Subir Samanta

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The worldwide prevalence of H3N2 influenza virus and its increasing resistance to the existing drugs necessitates for the development of an improved/better targeting anti-influenza drug. H3N2 influenza neuraminidase is one of the two membrane-bound proteins belonging to group-2 neuraminidases. It acts as key player involved in viral pathogenicity and hence, is an important target of anti-influenza drugs. Oseltamivir is one of the potent drugs targeting this neuraminidase. In the present work, we have taken subtype N2 neuraminidase as the receptor and probable analogs of oseltamivir as drug molecules to study the protein-drug interaction in anticipation of finding efficient modified candidate compound. Oseltamivir analogs were made by modifying the functional groups using Marvin Sketch software and were docked using Schrodinger-s Glide. Oseltamivir analog 10 was detected to have significant energy value (16% less compared to Oseltamivir) and could be the probable lead molecule. It infers that some of the modified compounds can interact in a novel manner with increased hydrogen bonding at the active site of neuraminidase and it might be better than the original drug. Further work can be carried out such as enzymatic inhibition studies; synthesis and crystallizing the drug-target complex to analyze the interactions biologically.

Keywords: H3N2 Influenza, Neuraminidase, Oseltamiviranalogs, structure based drug designing

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Authors: Yi-Zhong Weng, Chien-Kang Huang, Yu-Feng Huang, Chi-Yuan Yu, Darby Tien-Hao Chang

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Search for a tertiary substructure that geometrically matches the 3D pattern of the binding site of a well-studied protein provides a solution to predict protein functions. In our previous work, a web server has been built to predict protein-ligand binding sites based on automatically extracted templates. However, a drawback of such templates is that the web server was prone to resulting in many false positive matches. In this study, we present a sequence-order constraint to reduce the false positive matches of using automatically extracted templates to predict protein-ligand binding sites. The binding site predictor comprises i) an automatically constructed template library and ii) a local structure alignment algorithm for querying the library. The sequence-order constraint is employed to identify the inconsistency between the local regions of the query protein and the templates. Experimental results reveal that the sequence-order constraint can largely reduce the false positive matches and is effective for template-based binding site prediction.

Keywords: Protein structure, binding site, functional prediction

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Authors: Kamil R. Aida-zade, Jamaladdin Z. Hasanov

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An approach is offered for more precise definition of base lines- borders in handwritten cursive text and general problems of handwritten text segmentation have also been analyzed. An offered method tries to solve problems arose in handwritten recognition with specific slant or in other words, where the letters of the words are not on the same vertical line. As an informative features, some recognition systems use ascending and descending parts of the letters, found after the word-s baseline detection. In such recognition systems, problems in baseline detection, impacts the quality of the recognition and decreases the rate of the recognition. Despite other methods, here borders are found by small pieces containing segmentation elements and defined as a set of linear functions. In this method, separate borders for top and bottom border lines are found. At the end of the paper, as a result, azerbaijani cursive handwritten texts written in Latin alphabet by different authors has been analyzed.

Keywords: Azeri, azerbaijani, latin, segmentation, cursive, HWR, handwritten, recognition, baseline, ascender, descender, symbols.

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Authors: Manash Pratim Sarma, Kandarpa Kumar Sarma

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A set of Artificial Neural Network (ANN) based methods for the design of an effective system of speech recognition of numerals of Assamese language captured under varied recording conditions and moods is presented here. The work is related to the formulation of several ANN models configured to use Linear Predictive Code (LPC), Principal Component Analysis (PCA) and other features to tackle mood and gender variations uttering numbers as part of an Automatic Speech Recognition (ASR) system in Assamese. The ANN models are designed using a combination of Self Organizing Map (SOM) and Multi Layer Perceptron (MLP) constituting a Learning Vector Quantization (LVQ) block trained in a cooperative environment to handle male and female speech samples of numerals of Assamese- a language spoken by a sizable population in the North-Eastern part of India. The work provides a comparative evaluation of several such combinations while subjected to handle speech samples with gender based differences captured by a microphone in four different conditions viz. noiseless, noise mixed, stressed and stress-free.

Keywords: Assamese, Recognition, LPC, Spectral, ANN.

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Authors: Vineet K. Srivastava, Mukesh K. Awasthi, Mohammad Tamsir

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A fully implicit finite-difference method has been proposed for the numerical solutions of one dimensional coupled nonlinear Burgers’ equations on the uniform mesh points. The method forms a system of nonlinear difference equations which is to be solved at each iteration. Newton’s iterative method has been implemented to solve this nonlinear assembled system of equations. The linear system has been solved by Gauss elimination method with partial pivoting algorithm at each iteration of Newton’s method. Three test examples have been carried out to illustrate the accuracy of the method. Computed solutions obtained by proposed scheme have been compared with analytical solutions and those already available in the literature by finding L2 and L∞ errors.

Keywords: Burgers’ equation, Implicit Finite-difference method, Newton’s method, Gauss elimination with partial pivoting.

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Authors: Farhad Asadi, Mohammad Javad Mollakazemi, Aref Ghafouri

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Recent research in neural networks science and neuroscience for modeling complex time series data and statistical learning has focused mostly on learning from high input space and signals. Local linear models are a strong choice for modeling local nonlinearity in data series. Locally weighted projection regression is a flexible and powerful algorithm for nonlinear approximation in high dimensional signal spaces. In this paper, different learning scenario of one and two dimensional data series with different distributions are investigated for simulation and further noise is inputted to data distribution for making different disordered distribution in time series data and for evaluation of algorithm in locality prediction of nonlinearity. Then, the performance of this algorithm is simulated and also when the distribution of data is high or when the number of data is less the sensitivity of this approach to data distribution and influence of important parameter of local validity in this algorithm with different data distribution is explained.

Keywords: Local nonlinear estimation, LWPR algorithm, Online training method.

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Authors: Mojtaba Rezaei, Elham Heydari

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This paper highlights the empirical results of analyzing the correlation between accounting information and systematic risk. This association is analyzed among financial ratios and systematic risk by considering the financial statement of 39 companies listed on the Tehran Stock Exchange (TSE) for five years (2014-2018). Financial ratios have been categorized into four groups and to describe the special features, as representative of accounting information we selected: Return on Asset (ROA), Debt Ratio (Total Debt to Total Asset), Current Ratio (current assets to current debt), Asset Turnover (Net sales to Total assets), and Total Assets. The hypotheses were tested through simple and multiple linear regression and T-student test. The findings illustrate that there is no significant relationship between accounting information and market risk. This indicates that in the selected sample, historical accounting information does not fully reflect the price of stocks.

Keywords: Accounting information, market risk, systematic risk, efficient market hypothesis, EMH, Tehran Stock Exchange, TSE.

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Authors: R.K. Behera, S.Behera

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In a wind power generator using doubly fed induction generator (DFIG), the three-phase pulse width modulation (PWM) voltage source converter (VSC) is used as grid side converter (GSC) and rotor side converter (RSC). The standard linear control laws proposed for GSC provides not only instablity against comparatively large-signal disturbances, but also the problem of stability due to uncertainty of load and variations in parameters. In this paper, a nonlinear controller is designed for grid side converter (GSC) of a DFIG for wind power application. The nonlinear controller is designed based on the input-output feedback linearization control method. The resulting closed-loop system ensures a sufficient stability region, make robust to variations in circuit parameters and also exhibits good transient response. Computer simulations and experimental results are presented to confirm the effectiveness of the proposed control strategy.

Keywords: Doubly fed Induction Generator, grid side converter, machine side converter, dc link, feedback linearization.

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Authors: Mohamed Abdallah, Mostafa Warith, Roberto Narbaitz, Emil Petriu, Kevin Kennedy

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Heterogeneity of solid waste characteristics as well as the complex processes taking place within the landfill ecosystem motivated the implementation of soft computing methodologies such as artificial neural networks (ANN), fuzzy logic (FL), and their combination. The present work uses a hybrid ANN-FL model that employs knowledge-based FL to describe the process qualitatively and implements the learning algorithm of ANN to optimize model parameters. The model was developed to simulate and predict the landfill gas production at a given time based on operational parameters. The experimental data used were compiled from lab-scale experiment that involved various operating scenarios. The developed model was validated and statistically analyzed using F-test, linear regression between actual and predicted data, and mean squared error measures. Overall, the simulated landfill gas production rates demonstrated reasonable agreement with actual data. The discussion focused on the effect of the size of training datasets and number of training epochs.

Keywords: Adaptive neural fuzzy inference system (ANFIS), gas production, landfill

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Authors: Georgios Linardatos, Miltiadis Zamparas, Vlasoula Bekiari, Georgios Bokias, Georgios Hotos

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Hydrogels are three-dimensional, hydrophilic, polymeric networks composed of homopolymers or copolymers and are insoluble in water due to the presence of chemical or physical cross-links. When hydrogels come in contact with aqueous solutions, they can effectively sorb and retain the dissolved substances, depending on the nature of the monomeric units comprising the hydrogel. For this reason, hydrogels have been proposed in several studies as water purification agents. At the present work anionic hydrogels bearing negatively charged –COO- groups were prepared and investigated. These gels are based on sodium acrylate (ANa), either homopolymerized (poly(sodiumacrylate), PANa) or copolymerized (P(DMAM-co-ANa)) with N,N Dimethylacrylamide (DMAM). The hydrogels were used to extract some model organic dyes from water. It is found that cationic dyes are strongly sorbed and retained by the hydrogels, while sorption of anionic dyes was negligible. In all cases it was found that both maximum sorption capacity and equilibrium binding constant varied from one dye to the other depending on the chemical structure of the dye, the presence of functional chemical groups and the hydrophobic-hydrophilic balance. Finally, the nonionic hydrogel of the homopolymer poly(N,Ndimethylacrylamide), PDMAM, was also used for reasons of comparison.

Keywords: Anionic organic hydrogels, sorption, organic dyes, water purification agents.

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Authors: P.-W. Tsai, C.-Y. Chen, C.-W. Chen

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In this paper, the stability analysis of a GA-Based adaptive fuzzy sliding model controller for a nonlinear system is discussed. First, a nonlinear plant is well-approximated and described with a reference model and a fuzzy model, both involving FLC rules. Then, FLC rules and the consequent parameter are decided on via an Evolved Bat Algorithm (EBA). After this, we guarantee a new tracking performance inequality for the control system. The tracking problem is characterized to solve an eigenvalue problem (EVP). Next, an adaptive fuzzy sliding model controller (AFSMC) is proposed to stabilize the system so as to achieve good control performance. Lyapunov’s direct method can be used to ensure the stability of the nonlinear system. It is shown that the stability analysis can reduce nonlinear systems into a linear matrix inequality (LMI) problem. Finally, a numerical simulation is provided to demonstrate the control methodology.

Keywords: Adaptive fuzzy sliding mode control, Lyapunov direct method, swarm intelligence, evolved bat algorithm.

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Authors: Vivekanandan C., Prabhakar .R., Prema D.

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This paper presents the application of discrete-time variable structure control with sliding mode based on the 'reaching law' method for robust control of a 'simple inverted pendulum on moving cart' - a standard nonlinear benchmark system. The controllers designed using the above techniques are completely insensitive to parametric uncertainty and external disturbance. The controller design is carried out using pole placement technique to find state feedback gain matrix , which decides the dynamic behavior of the system during sliding mode. This is followed by feedback gain realization using the control law which is synthesized from 'Gao-s reaching law'. The model of a single inverted pendulum and the discrete variable structure control controller are developed, simulated in MATLAB-SIMULINK and results are presented. The response of this simulation is compared with that of the discrete linear quadratic regulator (DLQR) and the advantages of sliding mode controller over DLQR are also presented

Keywords: Inverted pendulum, Variable Structure, Sliding mode control, Discrete-time systems, Nonlinear systems.

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Authors: Gökhan Yüksel, Serdar Akça, İlker Kalkan

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The present study is an attempt to demonstrate the significant levels of contribution of the moment-resisting beam-column connections with side plates to the earthquake behavior of special steel moment frames. To this end, the moment-curvature relationships of a regular beam-column connection and its SidePlate counterpart were determined with the help of finite element analyses. The connection stiffness and deformability values from these finite element analyses were used in the linear time-history analyses of an example structural steel frame under three different seismic excitations. The top-story lateral drift, base shear, and overturning moment values in two orthogonal directions were obtained from these time-history analyses and compared to each other. The results revealed the improvements in the system response with the use of SidePlate connections. The paper ends with crucial recommendations for the plan and design of further studies on this very topic.

Keywords: Seismic detailing, special moment frame, steel structures, beam-column connection, earthquake-resistant design.

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Authors: Sidhartha Panda, Narayana Prasad Padhy

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With constraints on data availability and for study of power system stability it is adequate to model the synchronous generator with field circuit and one equivalent damper on q-axis known as the model 1.1. This paper presents a systematic procedure for modelling and simulation of a single-machine infinite-bus power system installed with a thyristor controlled series compensator (TCSC) where the synchronous generator is represented by model 1.1, so that impact of TCSC on power system stability can be more reasonably evaluated. The model of the example power system is developed using MATLAB/SIMULINK which can be can be used for teaching the power system stability phenomena, and also for research works especially to develop generator controllers using advanced technologies. Further, the parameters of the TCSC controller are optimized using genetic algorithm. The non-linear simulation results are presented to validate the effectiveness of the proposed approach.

Keywords: Genetic algorithm, MATLAB/SIMULINK, modelling and simulation, power system stability, single-machineinfinite-bus power system, thyristor controlled series compensator.

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Authors: Suman Bala, Sunil Kamboj, Vipin Saini

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Quantitative Structure Activity Relationship (QSAR) analysis has been developed to relate antifungal activity of novel substituted 1,3,4-oxadiazole against Candida albicans and Aspergillus niger using computer assisted multiple regression analysis. The study has shown the better relationship between antifungal activities with respect to various descriptors established by multiple regression analysis. The analysis has shown statistically significant correlation with R² values 0.932 and 0.782 against Candida albicans and Aspergillus niger respectively. These derivatives were further subjected to molecular docking studies to investigate the interactions between the target compounds and amino acid residues present in the active site of glucosamine-6-phosphate synthase. All the synthesized compounds have better docking score as compared to standard fluconazole. Our results could be used for the further design as well as development of optimal and potential antifungal agents.

Keywords: 1, 3, 4-Oxadiazole, QSAR, Multiple linear regression, Docking, Glucosamine-6-Phosphate Synthase.

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Authors: Jawad Saleem, Abdul Majid, Kent Bertilsson, Torbjörn Carlberg, Nazar Ul Islam

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Resistance spot welding process comprises of electric, thermal and mechanical phenomenon, which makes this process complex and highly non-linear and thus, it becomes difficult to model it. In order to obtain good weld nugget during spot welding, hit and trial welds are usually done which is very costly. Therefore the numerical simulation research has been conducted to understand the whole process. In this paper three different cases were analyzed by varying the tip contact area and it was observed that, with the variation of tip contact area the nugget formation at the faying surface is affected. The tip contact area of the welding electrode becomes large with long welding cycles. Therefore in order to maintain consistency of nugget formation during the welding process, the current compensation in control feedback is required. If the contact area of the welding electrode tip is reduced, a large amount of current flows through the faying surface, as a result of which sputtering occurs.

Keywords: Resistance spot welding, Finite element modeling, Nugget formation, Welding electrode, Numerical method simulation,

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Authors: A. Gherbi, L. Dahmani, A. Boudjemia

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This paper presents the Finite Element Method (FEM) for analyzing the failure pattern of rectangular slab with various edge conditions. Non-Linear static analysis is carried out using ANSYS 15 Software. Using SOLID65 solid elements, the compressive crushing of concrete is facilitated using plasticity algorithm, while the concrete cracking in tension zone is accommodated by the nonlinear material model. Smeared reinforcement is used and introduced as a percentage of steel embedded in concrete slab. The behavior of the analyzed concrete slab has been observed in terms of the crack pattern and displacement for various loading and boundary conditions. The finite element results are also compared with the experimental data. One of the other objectives of the present study is to show how similar the crack path found by ANSYS program to those observed for the yield line analysis. The smeared reinforcement method is found to be more practical especially for the layered elements like concrete slabs. The value of this method is that it does not require explicit modeling of the rebar, and thus a much coarser mesh can be defined.

Keywords: ANSYS, cracking pattern, displacements, RC Slab, smeared reinforcement.

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Authors: Tariq Aljuneidi, Akif Asil Bulgak

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An efficient remanufacturing network lead to an efficient design of sustainable manufacturing enterprise. In remanufacturing network, products are collected from the customer zone, disassembled and remanufactured at a suitable remanufacturing facility. In this respect, another issue to consider is how the returned product to be remanufactured, in other words, what is the best layout for such facility. In order to achieve a sustainable manufacturing system, Cellular Manufacturing System (CMS) designs are highly recommended, CMSs combine high throughput rates of line layouts with the flexibility offered by functional layouts (job shop). Introducing the CMS while designing a remanufacturing network will benefit the utilization of such a network. This paper presents and analyzes a comprehensive mathematical model for the design of Dynamic Cellular Remanufacturing Systems (DCRSs). In this paper, the proposed model is the first one to date that considers CMS and remanufacturing system simultaneously. The proposed DCRS model considers several manufacturing attributes such as multi period production planning, dynamic system reconfiguration, duplicate machines, machine capacity, available time for workers, worker assignments, and machine procurement, where the demand is totally satisfied from a returned product. A numerical example is presented to illustrate the proposed model.

Keywords: Cellular Manufacturing System, Remanufacturing, Mathematical Programming, Sustainability.

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Authors: Abada Ahmed, Hiadsi Said, Ouahrani Tarik, Amrani Bouhalouane, Amara Kadda

Abstract:

Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of full Heusler alloys Co2ZrGe and Co2NbB. These compounds are predicted to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000
B per formula unit, well consistent with the Slater-Pauling rule. Calculations show that both the alloys have an indirect band gaps, in the minority-spin channel of density of states (DOS), with values of 0.58 eV and 0.47 eV for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half-metallicity is found to be relatively robust against volume changes. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronic field.

Keywords: Electronic properties, full Heusler alloys, halfmetallic ferromagnets, magnetic properties.

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Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

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A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Computational Fluid Dynamics (CFD), Modeling, Multi-phase, Transport Phenomena, Lithium-air battery.

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Authors: Edison Muzenda, Ayo S. Afolabi

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This paper is a continuation of our interest in the influence of temperature on specific retention volumes and the resulting infinite dilution activity coefficients. This has a direct effect in the design of absorption and stripping columns for the abatement of volatile organic compounds. The interaction of 13 volatile organic compounds (VOCs) with polydimethylsiloxane (PDMS) at varying temperatures was studied by gas liquid chromatography (GLC). Infinite dilution activity coefficients and specific retention volumes obtained in this study were found to be in agreement with those obtained from static headspace and group contribution methods by the authors as well as literature values for similar systems. Temperature variation also allows for transport calculations for different seasons. The results of this work confirm that PDMS is well suited for the scrubbing of VOCs from waste gas streams. Plots of specific retention volumes against temperature gave linear van-t Hoff plots.

Keywords: Specific retention volume, Waste gas streams, specific retention, infinite dilution, abatement, transport.

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Authors: Desmond B. Keenan

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The clinical usefulness of heart rate variability is limited to the range of Holter monitoring software available. These software algorithms require a normal sinus rhythm to accurately acquire heart rate variability (HRV) measures in the frequency domain. Premature ventricular contractions (PVC) or more commonly referred to as ectopic beats, frequent in heart failure, hinder this analysis and introduce ambiguity. This investigation demonstrates an algorithm to automatically detect ectopic beats by analyzing discrete wavelet transform coefficients. Two techniques for filtering and replacing the ectopic beats from the RR signal are compared. One technique applies wavelet hard thresholding techniques and another applies linear interpolation to replace ectopic cycles. The results demonstrate through simulation, and signals acquired from a 24hr ambulatory recorder, that these techniques can accurately detect PVC-s and remove the noise and leakage effects produced by ectopic cycles retaining smooth spectra with the minimum of error.

Keywords: Heart rate variability, vagal tone, sympathetic, parasympathetic, wavelets, ectopic beats, spectral analysis.

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Authors: Fethi Soltani, Adel Almarashi, Idir Mechai

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Tikhonov regularization and reproducing kernels are the most popular approaches to solve ill-posed problems in computational mathematics and applications. And the Fourier multiplier operators are an essential tool to extend some known linear transforms in Euclidean Fourier analysis, as: Weierstrass transform, Poisson integral, Hilbert transform, Riesz transforms, Bochner-Riesz mean operators, partial Fourier integral, Riesz potential, Bessel potential, etc. Using the theory of reproducing kernels, we construct a simple and efficient representations for some class of Fourier multiplier operators Tm on the Paley-Wiener space Hh. In addition, we give an error estimate formula for the approximation and obtain some convergence results as the parameters and the independent variables approaches zero. Furthermore, using numerical quadrature integration rules to compute single and multiple integrals, we give numerical examples and we write explicitly the extremal function and the corresponding Fourier multiplier operators.

Keywords: Fourier multiplier operators, Gauss-Kronrod method of integration, Paley-Wiener space, Tikhonov regularization.

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Authors: Seung You Na, Joo Hyun Jung, Jin Young Kim, Mohammad AhangarKiasari

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There are various kinds of medical equipment which requires relatively accurate positional adjustments for successful treatment. However, patients tend to move without notice during a certain span of operations. Therefore, it is common practice that accompanying operators adjust the focus of the equipment. In this paper, tracking controllers for medical equipment are suggested to replace the operators. The tracking controllers use AHRS sensor information to recognize the movements of patients. Sensor fusion is applied to reducing the error magnitudes through linear Kalman filters. The image processing of optical markers is included to adjust the accumulation errors of gyroscope sensor data especially for yaw angles. The tracking controller reduces the positional errors between the current focus of a device and the target position on the body of a patient. Since the sensing frequencies of AHRS sensors are very high compared to the physical movements, the control performance is satisfactory. The typical applications are, for example, ESWT or rTMS, which have the error ranges of a few centimeters.

Keywords: AHRS, Sensor fusion, Tracking control, Position and posture.

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Authors: Emmanuel O.O. Ojakominor, Tian F. Lai

Abstract:

A handful of propagation textbooks that discuss radio frequency (RF) propagation models merely list out the models and perhaps discuss them rather briefly; this may well be frustrating for the potential first time modeller who's got no idea on how these models could have been derived. This paper fundamentally provides an overture in modelling the radio channel. Explicitly, for the modelling practice discussed here, signal strength field measurements had to be conducted beforehand (this was done at 469 MHz); to be precise, this paper primarily concerns empirically/statistically modelling the radio channel, and thus provides results obtained from empirically modelling the environments in question. This paper, on the whole, proposes three propagation models, corresponding to three experimented environments. Perceptibly, the models have been derived by way of making the most use of statistical measures. Generally speaking, the first two models were derived via simple linear regression analysis, whereas the third have been originated using multiple regression analysis (with five various predictors). Additionally, as implied by the title of this paper, both indoor and outdoor environments have been experimented; however, (somewhat) two of the environments are neither entirely indoor nor entirely outdoor. The other environment, however, is completely indoor.

Keywords: RF propagation, radio channel modelling, statistical methods.

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

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The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

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Authors: M. Palizvan, M. H. Sadr, M. T. Abadi

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The representative volume element (RVE) plays a central role in the mechanics of random heterogeneous materials with a view to predicting their effective properties. In this paper, a computational homogenization methodology, developed to determine effective linear elastic properties of composite materials, is extended to predict the effective nonlinear elastoplastic response of long fiber reinforced composite. Finite element simulations of volumes of different sizes and fiber volume fractures are performed for calculation of the overall response RVE. The dependencies of the overall stress-strain curves on the number of fibers inside the RVE are studied in the 2D cases. Volume averaged stress-strain responses are generated from RVEs and compared with the finite element calculations available in the literature at moderate and high fiber volume fractions. For these materials, the existence of an RVE is demonstrated for the sizes of RVE corresponding to 10–100 times the diameter of the fibers. In addition, the response of small size RVE is found anisotropic, whereas the average of all large ones leads to recover the isotropic material properties.

Keywords: Homogenization, periodic boundary condition, elastoplastic properties, RVE.

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Authors: Ahmad Fadel Klaib, Zurinahni Zainol, Nurul Hashimah Ahamed, Rosma Ahmad, Wahidah Hussin

Abstract:

Bioinformatics and Cheminformatics use computer as disciplines providing tools for acquisition, storage, processing, analysis, integrate data and for the development of potential applications of biological and chemical data. A chemical database is one of the databases that exclusively designed to store chemical information. NMRShiftDB is one of the main databases that used to represent the chemical structures in 2D or 3D structures. SMILES format is one of many ways to write a chemical structure in a linear format. In this study we extracted Antimicrobial Structures in SMILES format from NMRShiftDB and stored it in our Local Data Warehouse with its corresponding information. Additionally, we developed a searching tool that would response to user-s query using the JME Editor tool that allows user to draw or edit molecules and converts the drawn structure into SMILES format. We applied Quick Search algorithm to search for Antimicrobial Structures in our Local Data Ware House.

Keywords: Exact String-matching Algorithms, NMRShiftDB, SMILES Format, Antimicrobial Structures.

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Authors: Theodore N.S. Karfakis, Anna Andrade, Carolina Volkmer-Castilho, Dennis R. Valle, Eric Arets, Paul van Gardingen

Abstract:

The aim of the work presented here was to either use existing forest dynamic simulation models or calibrate a new one both within the SYMFOR framework with the purpose of examining changes in stand level basal area and functional composition in response to selective logging considering trees > 10 cm d.b.h for two areas of undisturbed Amazonian non flooded tropical forest in Brazil and one in Peru. Model biological realism was evaluated for forest in the undisturbed and selectively logged state and it was concluded that forest dynamics were realistically represented. Results of the logging simulation experiments showed that in relation to undisturbed forest simulation subject to no form of harvesting intervention there was a significant amount of change over a 90 year simulation period that was positively proportional to the intensity of logging. Areas which had in the dynamic equilibrium of undisturbed forest a greater proportion of a specific ecological guild of trees known as the light hardwoods (LHW’s) seemed to respond more favorably in terms of less deviation but only within a specific range of baseline forest composition beyond which compositional diversity became more important. These finds are in line partially with practical management experience and partiality basic systematics theory respectively.

Keywords: Amazonbasin, ecological species guild, selective logging, simulation modeling.

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