Search results for: Inverse fast Fourier transform (IFFT)
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 1831

Search results for: Inverse fast Fourier transform (IFFT)

871 Morphology of Machined Surfaces from Electro Discharge Sawing and Sinking Electro Discharge Machining

Authors: N. Nagabhushana Ramesh, Kalley Harinarayana, T. Raghavender Reddy, B. Balu Naik

Abstract:

Electro Discharge Sawing is a hybrid process combining the features of SEDM and ECM. Its major characteristic is extremely fast erosion rate compare to either of the above processes. This paper brings out its relative feature of SEDM and EDS about their erosion rates, surface roughness, and morphology of machined surfaces.

Keywords: Electro Chemical Machining (ECM), Electro Discharge Sawing (EDS), Sinking Electro Discharge Machining (SEDM).

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870 A Self Organized Map Method to Classify Auditory-Color Synesthesia from Frontal Lobe Brain Blood Volume

Authors: Takashi Kaburagi, Takamasa Komura, Yosuke Kurihara

Abstract:

Absolute pitch is the ability to identify a musical note without a reference tone. Training for absolute pitch often occurs in preschool education. It is necessary to clarify how well the trainee can make use of synesthesia in order to evaluate the effect of the training. To the best of our knowledge, there are no existing methods for objectively confirming whether the subject is using synesthesia. Therefore, in this study, we present a method to distinguish the use of color-auditory synesthesia from the separate use of color and audition during absolute pitch training. This method measures blood volume in the prefrontal cortex using functional Near-infrared spectroscopy (fNIRS) and assumes that the cognitive step has two parts, a non-linear step and a linear step. For the linear step, we assume a second order ordinary differential equation. For the non-linear part, it is extremely difficult, if not impossible, to create an inverse filter of such a complex system as the brain. Therefore, we apply a method based on a self-organizing map (SOM) and are guided by the available data. The presented method was tested using 15 subjects, and the estimation accuracy is reported.

Keywords: Absolute pitch, functional near-infrared spectroscopy, prefrontal cortex, synesthesia.

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869 Instability of Ties in Compression

Authors: T. Cornelius

Abstract:

Masonry cavity walls are loaded by wind pressure and vertical load from upper floors. These loads results in bending moments and compression forces in the ties connecting the outer and the inner wall in a cavity wall. Large cavity walls are furthermore loaded by differential movements from the temperature gradient between the outer and the inner wall, which results in critical increase of the bending moments in the ties. Since the ties are loaded by combined compression and moment forces, the loadbearing capacity is derived from instability equilibrium equations. Most of them are iterative, since exact instability solutions are complex to derive, not to mention the extra complexity introducing dimensional instability from the temperature gradients. Using an inverse variable substitution and comparing an exact theory with an analytical instability solution a method to design tie-connectors in cavity walls was developed. The method takes into account constraint conditions limiting the free length of the wall tie, and the instability in case of pure compression which gives an optimal load bearing capacity. The model is illustrated with examples from praxis.

Keywords: Masonry, tie connectors, cavity wall, instability, differential movements, combined bending and compression.

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868 ASC – A Stream Cipher with Built – In MAC Functionality

Authors: Kai-Thorsten Wirt

Abstract:

In this paper we present the design of a new encryption scheme. The scheme we propose is a very exible encryption and authentication primitive. We build this scheme on two relatively new design principles: t-functions and fast pseudo hadamard transforms. We recapitulate the theory behind these principles and analyze their security properties and efficiency. In more detail we propose a streamcipher which outputs a message authentication tag along with theencrypted data stream with only little overhead. Moreover we proposesecurity-speed tradeoffs. Our scheme is faster than other comparablet-function based designs while offering the same security level.

Keywords: Cryptography, Combined Primitives, Stream Cipher, MAC, T-Function, FPHT.

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867 Mechanism of Dual Ferroic Properties Formation in Substituted M-Type Hexaferrites

Authors: A. V. Trukhanov, S. V. Trukhanov, L. V. Panina, V. G. Kostishin, V. A. Turchenko

Abstract:

It has been shown that BaFe12O19 is a perspective room-temperature multiferroic material. A large spontaneous polarization was observed for the BaFe12O19 ceramics revealing a clear ferroelectric hysteresis loop. The maximum polarization was estimated to be approximately 11.8 μC/cm2. The FeO6 octahedron in its perovskite-like hexagonal unit cell and the shift of Fe3+ off the center of octahedron are suggested to be the origin of the polarization in BaFe12O19. The magnetic field induced electric polarization has been also observed in the doped BaFe12-x-δScxMδO19 (δ=0.05) at 10 K and in the BaScxFe12−xO19 and SrScxFe12−xO19 (x = 1.3–1.7) M-type hexaferrites. The investigated BaFe12-xDxO19 (x=0.1, D-Al3+, In3+) samples have been obtained by two-step “topotactic” reactions. The powder neutron investigations of the samples were performed by neutron time of flight method at High Resolution Fourier Diffractometer.

Keywords: Substituted hexaferrites, ferrimagnetics, ferroelectrics, neutron powder diffraction, crystal and magnetic structures.

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866 Design of Active Power Filters for Harmonics on Power System and Reducing Harmonic Currents

Authors: Düzgün Akmaz, Hüseyin Erişti

Abstract:

In the last few years, harmonics have been occurred with the increasing use of nonlinear loads, and these harmonics have been an ever increasing problem for the line systems. This situation importantly affects the quality of power and gives large losses to the network. An efficient way to solve these problems is providing harmonic compensation through parallel active power filters. Many methods can be used in the control systems of the parallel active power filters which provide the compensation. These methods efficiently affect the performance of the active power filters. For this reason, the chosen control method is significant. In this study, Fourier analysis (FA) control method and synchronous reference frame (SRF) control method are discussed. These control methods are designed for both eliminate harmonics and perform reactive power compensation in MATLAB/Simulink pack program and are tested. The results have been compared for each two methods.

Keywords: Harmonics, Harmonic compensation, Parallel active power filters, Power quality.

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865 Efficient Semi-Systolic Finite Field Multiplier Using Redundant Basis

Authors: Hyun-Ho Lee, Kee-Won Kim

Abstract:

The arithmetic operations over GF(2m) have been extensively used in error correcting codes and public-key cryptography schemes. Finite field arithmetic includes addition, multiplication, division and inversion operations. Addition is very simple and can be implemented with an extremely simple circuit. The other operations are much more complex. The multiplication is the most important for cryptosystems, such as the elliptic curve cryptosystem, since computing exponentiation, division, and computing multiplicative inverse can be performed by computing multiplication iteratively. In this paper, we present a parallel computation algorithm that operates Montgomery multiplication over finite field using redundant basis. Also, based on the multiplication algorithm, we present an efficient semi-systolic multiplier over finite field. The multiplier has less space and time complexities compared to related multipliers. As compared to the corresponding existing structures, the multiplier saves at least 5% area, 50% time, and 53% area-time (AT) complexity. Accordingly, it is well suited for VLSI implementation and can be easily applied as a basic component for computing complex operations over finite field, such as inversion and division operation.

Keywords: Finite field, Montgomery multiplication, systolic array, cryptography.

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864 4D Flight Trajectory Optimization Based on Pseudospectral Methods

Authors: Kouamana Bousson, Paulo Machado

Abstract:

The optimization and control problem for 4D trajectories is a subject rarely addressed in literature. In the 4D navigation problem we define waypoints, for each mission, where the arrival time is specified in each of them. One way to design trajectories for achieving this kind of mission is to use the trajectory optimization concepts. To solve a trajectory optimization problem we can use the indirect or direct methods. The indirect methods are based on maximum principle of Pontryagin, on the other hand, in the direct methods it is necessary to transform into a nonlinear programming problem. We propose an approach based on direct methods with a pseudospectral integration scheme built on Chebyshev polynomials.

Keywords: Pseudospectral Methods, Trajectory Optimization, 4DTrajectories

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863 Electrocardiogram Signal Denoising Using a Hybrid Technique

Authors: R. Latif, W. Jenkal, A. Toumanari, A. Hatim

Abstract:

This paper presents an efficient method of electrocardiogram signal denoising based on a hybrid approach. Two techniques are brought together to create an efficient denoising process. The first is an Adaptive Dual Threshold Filter (ADTF) and the second is the Discrete Wavelet Transform (DWT). The presented approach is based on three steps of denoising, the DWT decomposition, the ADTF step and the highest peaks correction step. This paper presents some application of the approach on some electrocardiogram signals of the MIT-BIH database. The results of these applications are promising compared to other recently published techniques.

Keywords: Hybrid technique, ADTF, DWT, tresholding, ECG signal.

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862 Power System Contingency Analysis Using Multiagent Systems

Authors: Anant Oonsivilai, Kenedy A. Greyson

Abstract:

The demand of the energy management systems (EMS) set forth by modern power systems requires fast energy management systems. Contingency analysis is among the functions in EMS which is time consuming. In order to handle this limitation, this paper introduces agent based technology in the contingency analysis. The main function of agents is to speed up the performance. Negotiations process in decision making is explained and the issue set forth is the minimization of the operating costs. The IEEE 14 bus system and its line outage have been used in the research and simulation results are presented.

Keywords: Agents, model, negotiation, optimal dispatch, powersystems.

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861 Selective Mutation for Genetic Algorithms

Authors: Sung Hoon Jung

Abstract:

In this paper, we propose a selective mutation method for improving the performances of genetic algorithms. In selective mutation, individuals are first ranked and then additionally mutated one bit in a part of their strings which is selected corresponding to their ranks. This selective mutation helps genetic algorithms to fast approach the global optimum and to quickly escape local optima. This results in increasing the performances of genetic algorithms. We measured the effects of selective mutation with four function optimization problems. It was found from extensive experiments that the selective mutation can significantly enhance the performances of genetic algorithms.

Keywords: Genetic algorithm, selective mutation, function optimization

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860 Robust Control of a Parallel 3-RRR Robotic Manipulator via μ-Synthesis Method

Authors: A. Abbasi Moshaii, M. Soltan Rezaee, M. Mohammadi Moghaddam

Abstract:

Control of some mechanisms is hard because of their complex dynamic equations. If part of the complexity is resulting from uncertainties, an efficient way for solving that is robust control. By this way, the control procedure could be simple and fast and finally, a simple controller can be designed. One kind of these mechanisms is 3-RRR which is a parallel mechanism and has three revolute joints. This paper aims to robust control a 3-RRR planner mechanism and it presents that this could be used for other mechanisms. So, a significant problem in mechanisms control could be solved. The relevant diagrams are drawn and they show the correctness of control process.

Keywords: 3-RRR, dynamic equations, mechanisms control, structural uncertainty.

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859 A Comparison of Adaline and MLP Neural Network based Predictors in SIR Estimation in Mobile DS/CDMA Systems

Authors: Nahid Ardalani, Ahmadreza Khoogar, H. Roohi

Abstract:

In this paper we compare the response of linear and nonlinear neural network-based prediction schemes in prediction of received Signal-to-Interference Power Ratio (SIR) in Direct Sequence Code Division Multiple Access (DS/CDMA) systems. The nonlinear predictor is Multilayer Perceptron MLP and the linear predictor is an Adaptive Linear (Adaline) predictor. We solve the problem of complexity by using the Minimum Mean Squared Error (MMSE) principle to select the optimal predictors. The optimized Adaline predictor is compared to optimized MLP by employing noisy Rayleigh fading signals with 1.8 GHZ carrier frequency in an urban environment. The results show that the Adaline predictor can estimates SIR with the same error as MLP when the user has the velocity of 5 km/h and 60 km/h but by increasing the velocity up-to 120 km/h the mean squared error of MLP is two times more than Adaline predictor. This makes the Adaline predictor (with lower complexity) more suitable than MLP for closed-loop power control where efficient and accurate identification of the time-varying inverse dynamics of the multi path fading channel is required.

Keywords: Power control, neural networks, DS/CDMA mobilecommunication systems.

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858 Performance Analysis of Wavelet Based Multiuser MIMO OFDM

Authors: Md. Mahmudul Hasan

Abstract:

Wavelet analysis has some strong advantages over Fourier analysis, as it allows a time-frequency domain analysis, allowing optimal resolution and flexibility. As a result, they have been satisfactorily applied in almost all the fields of communication systems including OFDM which is a strong candidate for next generation of wireless technology. In this paper, the performances of wavelet based Multiuser Multiple Input and Multiple Output Orthogonal Frequency Division Multiplexing (MU-MIMO OFDM) systems are analyzed in terms of BER. It has been shown that the wavelet based systems outperform the classical FFT based systems. This analysis also unfolds an interesting result, where wavelet based OFDM system will have a constant error performance using Regularized Channel Inversion (RCI) beamforming for any number of users, and outperforms in all possible scenario in a multiuser environment. An extensive computer simulations show that a PAPR reduction of up to 6.8dB can be obtained with M=64.

Keywords: Wavelet Based OFDM, Optimal Beam-forming, Multiuser MIMO OFDM, Signal to Leakage Ratio.

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857 Oxidation of Amitriptyline by Bromamine-T in Acidic Buffer Medium: A Kinetic and Mechanistic Approach

Authors: Chandrashekar, R. T. Radhika, B. M. Venkatesha, S. Ananda, Shivalingegowda, T. S. Shashikumar, H. Ramachandra

Abstract:

The kinetics of the oxidation of amitriptyline (AT) by sodium N-bromotoluene sulphonamide (C6H5SO2NBrNa) has been studied in an acidic buffer medium of pH 1.2 at 303 K. The oxidation reaction of AT was followed spectrophotometrically at maximum wavelength, 410 nm. The reaction rate shows a first order dependence each on concentration of AT and concentration of sodium N-bromotoluene sulphonamide. The reaction also shows an inverse fractional order dependence at low or high concentration of HCl. The dielectric constant of the solvent shows negative effect on the rate of reaction. The addition of halide ions and the reduction product of BAT have no significant effect on the rate. The rate is unchanged with the variation in the ionic strength (NaClO4) of the medium. Addition of reaction mixtures to be aqueous acrylamide solution did not initiate polymerization, indicating the absence of free radical species. The stoichiometry of the reaction was found to be 1:1 and oxidation product of AT is identified. The Michaelis-Menton type of kinetics has been proposed. The CH3C6H5SO2NHBr has been assumed to be the reactive oxidizing species. Thermodynamical parameters were computed by studying the reactions at different temperatures. A mechanism consistent with observed kinetics is presented.

Keywords: Amitriptyline, bromamine-T, kinetics, oxidation.

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856 A High Performance Technique in Harmonic Omitting Based on Predictive Current Control of a Shunt Active Power Filter

Authors: K. G. Firouzjah, A. Sheikholeslami

Abstract:

The perfect operation of common Active Filters is depended on accuracy of identification system distortion. Also, using a suitable method in current injection and reactive power compensation, leads to increased filter performance. Due to this fact, this paper presents a method based on predictive current control theory in shunt active filter applications. The harmonics of the load current is identified by using o–d–q reference frame on load current and eliminating the DC part of d–q components. Then, the rest of these components deliver to predictive current controller as a Threephase reference current by using Park inverse transformation. System is modeled in discreet time domain. The proposed method has been tested using MATLAB model for a nonlinear load (with Total Harmonic Distortion=20%). The simulation results indicate that the proposed filter leads to flowing a sinusoidal current (THD=0.15%) through the source. In addition, the results show that the filter tracks the reference current accurately.

Keywords: Active filter, predictive current control, low pass filter, harmonic omitting, o–d–q reference frame.

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855 Weighted Harmonic Arnoldi Method for Large Interior Eigenproblems

Authors: Zhengsheng Wang, Jing Qi, Chuntao Liu, Yuanjun Li

Abstract:

The harmonic Arnoldi method can be used to find interior eigenpairs of large matrices. However, it has been shown that this method may converge erratically and even may fail to do so. In this paper, we present a new method for computing interior eigenpairs of large nonsymmetric matrices, which is called weighted harmonic Arnoldi method. The implementation of the method has been tested by numerical examples, the results show that the method converges fast and works with high accuracy.

Keywords: Harmonic Arnoldi method, weighted harmonic Arnoldi method, eigenpair, interior eigenproblem, non symmetric matrix.

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854 Reversible Watermarking on Stereo Image Sequences

Authors: John N. Ellinas

Abstract:

In this paper, a new reversible watermarking method is presented that reduces the size of a stereoscopic image sequence while keeping its content visible. The proposed technique embeds the residuals of the right frames to the corresponding frames of the left sequence, halving the total capacity. The residual frames may result in after a disparity compensated procedure between the two video streams or by a joint motion and disparity compensation. The residuals are usually lossy compressed before embedding because of the limited embedding capacity of the left frames. The watermarked frames are visible at a high quality and at any instant the stereoscopic video may be recovered by an inverse process. In fact, the left frames may be exactly recovered whereas the right ones are slightly distorted as the residuals are not embedded intact. The employed embedding method reorders the left frame into an array of consecutive pixel pairs and embeds a number of bits according to their intensity difference. In this way, it hides a number of bits in intensity smooth areas and most of the data in textured areas where resulting distortions are less visible. The experimental evaluation demonstrates that the proposed scheme is quite effective.

Keywords: Stereoscopic video, Reversible watermarking, Disparity compensation, Joint compensation

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853 Development of Tensile Stress-Strain Relationship for High-Strength Steel Fiber Reinforced Concrete

Authors: H. A. Alguhi, W. A. Elsaigh

Abstract:

This paper provides a tensile stress-strain (σ-ε) relationship for High-Strength Steel Fiber Reinforced Concrete (HSFRC). Load-deflection (P-δ) behavior of HSFRC beams tested under four-point flexural load were used with inverse analysis to calculate the tensile σ-ε relationship for various tested concrete grades (70 and 90MPa) containing 60 kg/m3 (0.76 %) of hook-end steel fibers. A first estimate of the tensile (σ-ε) relationship is obtained using RILEM TC 162-TDF and other methods available in literature, frequently used for determining tensile σ-ε relationship of Normal-Strength Concrete (NSC) Non-Linear Finite Element Analysis (NLFEA) package ABAQUS® is used to model the beam’s P-δ behavior. The results have shown that an element-size dependent tensile σ-ε relationship for HSFRC can be successfully generated and adopted for further analyses involving HSFRC structures.

Keywords: Tensile stress-strain, flexural response, high strength concrete, steel fibers, non-linear finite element analysis.

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852 Water Boundary Layer Flow Over Rotating Sphere with Mass Transfer

Authors: G. Revathi, P. Saikrishnan

Abstract:

An analysis is performed to study the influence of nonuniform double slot suction on a steady laminar boundary layer flow over a rotating sphere when fluid properties such as viscosity and Prandtl number are inverse linear functions of temperature. Nonsimilar solutions have been obtained from the starting point of the streamwise co-ordinate to the exact point of separation. The difficulties arising at the starting point of the streamwise co-ordinate, at the edges of the slot and at the point of separation have been overcome by applying an implicit finite difference scheme in combination with the quasi-linearization technique and an appropriate selection of the finer step sizes along the stream-wise direction. The present investigation shows that the point of ordinary separation can be delayed by nonuniform double slot suction if the mass transfer rate is increased and also if the slots are positioned further downstream. In addition, the investigation reveals that double slot suction is found to be more effective compared to a single slot suction in delaying ordinary separation. As rotation parameter increase the point of separation moves upstream direction.

Keywords: Boundary layer, suction, mass transfer, rotating sphere.

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851 A Modified Inexact Uzawa Algorithm for Generalized Saddle Point Problems

Authors: Shu-Xin Miao

Abstract:

In this note, we discuss the convergence behavior of a modified inexact Uzawa algorithm for solving generalized saddle point problems, which is an extension of the result obtained in a recent paper [Z.H. Cao, Fast Uzawa algorithm for generalized saddle point problems, Appl. Numer. Math., 46 (2003) 157-171].

Keywords: Saddle point problem, inexact Uzawa algorithm, convergence behavior.

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850 Lung Segmentation Algorithm for CAD System in CTA Images

Authors: H. Özkan, O. Osman, S. Şahin, M. M. Atasoy, H. Barutca, A. F. Boz, A. Olsun

Abstract:

In this study, we present a new and fast algorithm for lung segmentation using CTA images. This process is quite important especially at lung vessel segmentation, detection of pulmonary emboly, finding nodules or segmentation of airways. Applied method has been carried out at four steps. At first step, images have been applied optimal threshold. At the second one, the subsegment vessels, which have a place in lung region and which are in small dimension, have been removed. At the third one, identifying and segmentation of lungs and airway edges have been carried out. Lastly, by throwing away the airway, lung segmentation has been presented.

Keywords: Lung segmentation, computed tomography angiography, computer-aided diagnostic system

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849 Exponential State Estimation for Neural Networks with Leakage, Discrete and Distributed Delays

Authors: Liyuan Wang, Shouming Zhong

Abstract:

In this paper, the design problem of state estimator for neural networks with the mixed time-varying delays are investigated by constructing appropriate Lyapunov-Krasovskii functionals and using some effective mathematical techniques. In order to derive several conditions to guarantee the estimation error systems to be globally exponential stable, we transform the considered systems into the neural-type time-delay systems. Then with a set of linear inequalities(LMIs), we can obtain the stable criteria. Finally, three numerical examples are given to show the effectiveness and less conservatism of the proposed criterion.

Keywords: State estimator, Neural networks, Globally exponential stability.

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848 Practical Issues for Real-Time Video Tracking

Authors: Vitaliy Tayanov

Abstract:

In this paper we present the algorithm which allows us to have an object tracking close to real time in Full HD videos. The frame rate (FR) of a video stream is considered to be between 5 and 30 frames per second. The real time track building will be achieved if the algorithm can follow 5 or more frames per second. The principle idea is to use fast algorithms when doing preprocessing to obtain the key points and track them after. The procedure of matching points during assignment is hardly dependent on the number of points. Because of this we have to limit pointed number of points using the most informative of them.

Keywords: video tracking, real-time, Hungarian algorithm, Full HD video.

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847 Bleeding Detection Algorithm for Capsule Endoscopy

Authors: Yong-Gyu Lee, Gilwon Yoon

Abstract:

Automatic detection of bleeding is of practical importance since capsule endoscopy produces an extremely large number of images. Algorithm development of bleeding detection in the digestive tract is difficult due to different contrasts among the images, food dregs, secretion and others. In this study, were assigned weighting factors derived from the independent features of the contrast and brightness between bleeding and normality. Spectral analysis based on weighting factors was fast and accurate. Results were a sensitivity of 87% and a specificity of 90% when the accuracy was determined for each pixel out of 42 endoscope images.

Keywords: bleeding, capsule endoscopy, image analysis, weighted spectrum

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846 Moment Invariants in Image Analysis

Authors: Jan Flusser

Abstract:

This paper aims to present a survey of object recognition/classification methods based on image moments. We review various types of moments (geometric moments, complex moments) and moment-based invariants with respect to various image degradations and distortions (rotation, scaling, affine transform, image blurring, etc.) which can be used as shape descriptors for classification. We explain a general theory how to construct these invariants and show also a few of them in explicit forms. We review efficient numerical algorithms that can be used for moment computation and demonstrate practical examples of using moment invariants in real applications.

Keywords: Object recognition, degraded images, moments, moment invariants, geometric invariants, invariants to convolution, moment computation.

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845 An Approach of Control System for Automated Storage and Retrieval System (AS/RS)

Authors: M. Soyaslan, A. Fenercioglu, C. Kozkurt

Abstract:

Automated storage and retrieval systems (AS/RS) become frequently used systems in warehouses. There has been a transition from human based forklift applications to fast and safe AS/RS applications in firm-s warehouse systems. In this study, basic components and automation systems of the AS/RS are examined. Proposed system's automation components and their tasks in the system control algorithm were stated. According to this control algorithm the control system structure was obtained.

Keywords: AS/RS, Automatic Storage and Retrieval System, Warehouse Control System

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844 Vehicular Ad Hoc Network

Authors: S. Swapna Kumar

Abstract:

A Vehicular Ad-Hoc Network (VANET) is a mobile Ad-Hoc Network that provides connectivity moving device to fixed equipments. Such type of device is equipped with vehicle provides safety for the passengers. In the recent research areas of traffic management there observed the wide scope of design of new methodology of extension of wireless sensor networks and ad-hoc network principal for development of VANET technology. This paper provides the wide research view of the VANET and MANET concept for the researchers to contribute the better optimization technique for the development of effective and fast atomization technique for the large size of data exchange in this complex networks.

Keywords: Ad-Hoc, MANET, Sensors, Security, VANET

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843 Optimization of Soy Epoxide Hydroxylation to Properties of Prepolymer Polyurethane

Authors: Flora Elvistia Firdaus

Abstract:

The epoxidation of soybean oil at temperature of 600C was provided the best result in terms of attaching the –OH functionality. Temperatures below and above 600C it is likely the attaching reaction did not proceed sufficiently fast. The considerable yield below 40%, implies the oil is not completely converted, it is not possible by conventional methods, because the epoxide decomposes at the temperature required. The objective of this work was the development of catalyst toward the conversion of epoxide and polyol with reaction temperature at 50,60, and 700C. The effect of different type of catalyst were studied, the effect of alcohols with different molecular configuration was determined which leads to selective addition of alcohols to the epoxide oils.

Keywords: optimization, epoxide, soybean, catalyst

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842 Recent Advances on Computational Proteomics

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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