Search results for: molecular modeling

Authors: Akram Golestani, Mohammad Kazemeini, Farhad Khorasheh, Moslem Fattahi

Abstract:

Modeling and simulation of fixed bed three-phase catalytic reactors are considered for wet air catalytic oxidation of phenol to perform a comparative numerical analysis between tricklebed and packed-bubble column reactors. The modeling involves material balances both for the catalyst particle as well as for different fluid phases. Catalyst deactivation is also considered in a transient reactor model to investigate the effects of various parameters including reactor temperature on catalyst deactivation. The simulation results indicated that packed-bubble columns were slightly superior in performance than trickle beds. It was also found that reaction temperature was the most effective parameter in catalyst deactivation.

Keywords: Catalyst deactivation, Catalytic wet air oxidation, Trickle-bed, Wastewater.

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Authors: Nour Charara, Hussein Charara, Omar Abou Khaled, Hani Abdallah, Elena Mugellini

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In this paper, we present a human behavior modeling approach in videos scenes. This approach is used to model the normal behaviors in the conference halls. We exploited the Probabilistic Latent Semantic Analysis technique (PLSA), using the 'Bag-of-Terms' paradigm, as a tool for exploring video data to learn the model by grouping similar activities. Our term vocabulary consists of 3D spatio-temporal patch groups assigned by the direction of motion. Our video representation ensures the spatial information, the object trajectory, and the motion. The main importance of this approach is that it can be adapted to detect abnormal behaviors in order to ensure and enhance human security.

Keywords: Activity modeling, clustering, PLSA, video representation.

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Authors: Zakir Husain

Abstract:

This paper presents modeling and analysis of 12-phase distribution static compensator (DSTATCOM), which is capable of balancing the source currents in spite of unbalanced loading and phase outages. In addition to balance the supply current, the power factor can be set to a desired value. The theory of instantaneous symmetrical components is used to generate the twelve-phase reference currents. These reference currents are then tracked using current controlled voltage source inverter, operated in a hysteresis band control scheme. An ideal compensator in place of physical realization of the compensator is used. The performance of the proposed DTATCOM is validated through MATLAB simulation and detailed simulation results are given.

Keywords: DSTATCOM, Modeling, Load balancing, Multiphase, Power factor correction.

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Authors: Rabia Korkmaz Tan, Şebnem Bora

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The major problem encountered when modeling complex systems with agent-based modeling and simulation techniques is the existence of large parameter spaces. A complex system model cannot be expected to reflect the whole of the real system, but by specifying the most appropriate parameters, the actual system can be represented by the model under certain conditions. When the studies conducted in recent years were reviewed, it has been observed that there are few studies for parameter tuning problem in agent based simulations, and these studies have focused on tuning parameters of a single model. In this study, an approach of parameter tuning is proposed by using metaheuristic algorithms such as Genetic Algorithm (GA), Particle Swarm Optimization (PSO), Artificial Bee Colonies (ABC), Firefly (FA) algorithms. With this hybrid structured study, the parameter tuning problems of the models in the different fields were solved. The new approach offered was tested in two different models, and its achievements in different problems were compared. The simulations and the results reveal that this proposed study is better than the existing parameter tuning studies.

Keywords: Parameter tuning, agent based modeling and simulation, metaheuristic algorithms, complex systems.

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Authors: R. Manaffar, R. Maleki, S. Zare, N. Agh, S. Soltanian, B. Sehatnia, P. Sorgeloos, P. Bossier, G. Van Stappen

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Artemia is one of the most conspicuous invertebrates associated with aquaculture. It can be considered as a model organism, offering numerous advantages for comprehensive and multidisciplinary studies using morphologic or molecular methods. Since DNA extraction is an important step of any molecular experiment, a new and a rapid method of DNA extraction from adult Artemia was described in this study. Besides, the efficiency of this technique was compared with two widely used alternative techniques, namely Chelex® 100 resin and SDS-chloroform methods. Data analysis revealed that the new method is the easiest and the most cost effective method among the other methods which allows a quick and efficient extraction of DNA from the adult animal.

Keywords: APD, Artemia, DNA extraction, Molecularexperiments

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Authors: M. H. Ayazi, M. Qamari, N.Hedayat, A. Rohani

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Simulation of the flow and sedimentation process in the reservoir dams can be made by two methods of physical and mathematical modeling. The study area was within a region which ranged from the Jelogir hydrometric station to the Karkheh reservoir dam aimed at investigating the effects of stream tubes on the GSTARS-3 model behavior. The methodologies was to run the model based on 5 stream tubes in order to observe the influence of each scenario on longitudinal profiles, cross-section, flow velocity and bed load sediment size. Results further suggest that the use of two stream tubes or more which result in the semi-two-dimensional model will yield relatively closer results to the observational data than a singular stream tube modeling. Moreover, the results of modeling with three stream tubes shown to yield a relatively close results with the observational data. The overall conclusion of the paper is with applying various stream tubes; it would be possible to yield a significant influence on the modeling behavior Vis-a Vis the bed load sediment size.

Keywords: Karkheh, stream tubes, GSTARS-3 Model, Jelogir hydrometric station.

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Authors: Seyed Abolhasan Naeini, M. Mortezaee

Abstract:

Various factors such as the method of installation, the pile type, the pile material and the pile shape, can affect the final bearing capacity of a pile executed in the soil; among them, the method of installation is of special importance. The physical modeling is among the best options in the laboratory study of the piles behavior. Therefore, the current paper first presents and reviews the frustum confining vessel (FCV) as a suitable tool for physical modeling of deep foundations. Then, by describing the loading tests of two open-ended and closed-end steel piles, each of which has been performed in two methods, “with displacement" and "without displacement", the effect of end conditions and installation method on the final bearing capacity of the pile is investigated. The soil used in the current paper is silty sand of Firuzkuh, Iran. The results of the experiments show that in general the without displacement installation method has a larger bearing capacity in both piles, and in a specific method of installation the closed ended pile shows a slightly higher bearing capacity.

Keywords: physical modeling, frustum confining vessel, pile, bearing capacity, installation method

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Authors: Amir Azizi, Amir Yazid B. Ali, Loh Wei Ping

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Throughput is an important measure of performance of production system. Analyzing and modeling of production throughput is complex in today-s dynamic production systems due to uncertainties of production system. The main reasons are that uncertainties are materialized when the production line faces changes in setup time, machinery break down, lead time of manufacturing, and scraps. Besides, demand changes are fluctuating from time to time for each product type. These uncertainties affect the production performance. This paper proposes Bayesian inference for throughput modeling under five production uncertainties. Bayesian model utilized prior distributions related to previous information about the uncertainties where likelihood distributions are associated to the observed data. Gibbs sampling algorithm as the robust procedure of Monte Carlo Markov chain was employed for sampling unknown parameters and estimating the posterior mean of uncertainties. The Bayesian model was validated with respect to convergence and efficiency of its outputs. The results presented that the proposed Bayesian models were capable to predict the production throughput with accuracy of 98.3%.

Keywords: Bayesian inference, Uncertainty modeling, Monte Carlo Markov chain, Gibbs sampling, Production throughput

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Authors: Y. N. Phang, E. F. Loh

Abstract:

Many researchers have suggested the use of zero inflated Poisson (ZIP) and zero inflated negative binomial (ZINB) models in modeling overdispersed medical count data with extra variations caused by extra zeros and unobserved heterogeneity. The studies indicate that ZIP and ZINB always provide better fit than using the normal Poisson and negative binomial models in modeling overdispersed medical count data. In this study, we proposed the use of Zero Inflated Inverse Trinomial (ZIIT), Zero Inflated Poisson Inverse Gaussian (ZIPIG) and zero inflated strict arcsine models in modeling overdispered medical count data. These proposed models are not widely used by many researchers especially in the medical field. The results show that these three suggested models can serve as alternative models in modeling overdispersed medical count data. This is supported by the application of these suggested models to a real life medical data set. Inverse trinomial, Poisson inverse Gaussian and strict arcsine are discrete distributions with cubic variance function of mean. Therefore, ZIIT, ZIPIG and ZISA are able to accommodate data with excess zeros and very heavy tailed. They are recommended to be used in modeling overdispersed medical count data when ZIP and ZINB are inadequate.

Keywords: Zero inflated, inverse trinomial distribution, Poisson inverse Gaussian distribution, strict arcsine distribution, Pearson’s goodness of fit.

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Authors: Shagufta Tabassum

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The study of dielectric properties in a binary mixture of liquids is very useful to understand the liquid structure, molecular interaction, dynamics, and kinematics of the mixture. Time-domain reflectometry (TDR) is a powerful tool for studying the cooperation and molecular dynamics of the H-bonded system. Here we discuss the basic calibration and normalization procedure for TDR measurements. Our aim is to explain different types of error occur during TDR measurements and how to minimize it.

Keywords: time domain reflectometry measurement technique, cable and connector loss, oscilloscope loss, normalization technique

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Authors: A. Aljohani, M. Orif

Abstract:

The concentration of polycyclic aromatic hydrocarbons (PAH) in clams (A. glabrata) was examined in samples collected from Alseef Beach, 30 km south of Jeddah city. Gas chromatography-mass spectrometry (GC-MS) was used to analyze the 14 PAHs. The concentration of total PAHs was found to range from 11.521 to 40.149 ng/gdw with a mean concentration of 21.857 ng/gdw, which is lower compared to similar studies. The lower molecular weight PAHs with three rings comprised 18.14% of the total PAH concentrations in the clams, while the high molecular weight PAHs with four rings, five rings, and six rings account for 81.86%. Diagnostic ratios for PAH source distinction suggested pyrogenic or anthropogenic sources.

Keywords: Bivalves, biomonitoring, hydrocarbons, PAHs.

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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

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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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Authors: Vikas Rastogi, Vipan Kumar, Loveleen Kumar Bhagi

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The present work deals with the structural analysis of turbine blades and modeling of turbine blades. A common failure mode for turbine machines is high cycle of fatigue of compressor and turbine blades due to high dynamic stresses caused by blade vibration and resonance within the operation range of the machinery. In this work, proper damping system will be analyzed to reduce the vibrating blade. The main focus of the work is the modeling of under platform damper to evaluate the dynamic analysis of turbine-blade vibrations. The system is analyzed using Bond graph technique. Bond graph is one of the most convenient ways to represent a system from the physical aspect in foreground. It has advantage of putting together multi-energy domains of a system in a single representation in a unified manner. The bond graph model of dry friction damper is simulated on SYMBOLS-shakti® software. In this work, the blades are modeled as Timoshenko beam. Blade Vibrations under different working conditions are being analyzed numerically.

Keywords: Turbine blade vibrations, Friction dampers, Timoshenko Beam, Bond graph modeling.

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Authors: M. Behbahani-Nejad, Y. Shekari

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A reduced order modeling approach for natural gas transient flow in pipelines is presented. The Euler equations are considered as the governing equations and solved numerically using the implicit Steger-Warming flux vector splitting method. Next, the linearized form of the equations is derived and the corresponding eigensystem is obtained. Then, a few dominant flow eigenmodes are used to construct an efficient reduced-order model. A well-known test case is presented to demonstrate the accuracy and the computational efficiency of the proposed method. The results obtained are in good agreement with those of the direct numerical method and field data. Moreover, it is shown that the present reduced-order model is more efficient than the conventional numerical techniques for transient flow analysis of natural gas in pipelines.

Keywords: Eigenmode, Natural Gas, Reduced Order Modeling, Transient Flow.

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Authors: Samppa Suoniemi, Harri Terho, Rami Olkkonen

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In recent methodological articles related to structural equation modeling (SEM), the question of how to measure endogenous formative variables has been raised as an urgent, unresolved issue. This research presents an empirical application from the CRM system development context to test a recently developed technique, which makes it possible to measure endogenous formative constructs in structural models. PLS path modeling is used to demonstrate the feasibility of measuring antecedent relationships at the formative indicator level, not the formative construct level. Empirical results show that this technique is a promising approach to measure antecedent relationships of formative constructs in SEM.

Keywords: CRM system development, formative measures, PLS path modeling, research methodology.

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Authors: Bindu Sankar, Jaideep Chakraborty, Rashmi Nawlakha, A. Venkatesan, S. Raghupathy, T. Jayanthi, S.A.V. Satya Murty

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Component handling system is one of the important sub systems of Prototype Fast Breeder Reactor (PFBR) used for fuel handling. Core handling system is again a sub system of component handling system. Core handling system consists of in-vessel and ex-vessel subassembly handling. In-vessel core handling involves transfer arm, large rotatable plug and small rotatable plug operations. Modeling and simulation of in-vessel core handling is a part of development of Prototype Fast Breeder Reactor Operator Training Simulator. This paper deals with simulation and modeling of operations of transfer arm, large rotatable plug and small rotatable plug needed for in-vessel core handling. Process modeling was developed in house using platform independent Cµ code with OpenGL (Open Graphics Library). The control logic models and virtual panel were modeled using simulation tool.

Keywords: Animation, Core Handling System, Prototype Fast Breeder Reactor, Simulator

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Authors: Erisasadat Sahebzamani, Núria Forcada, Francisco Lendinez

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Global climate change has become increasingly problematic over the past few decades. The construction industry has contributed to greenhouse gas emissions in recent decades. Considering these issues and the high demand for materials in the construction industry, Circular Economy (CE) is considered necessary to keep materials in the loop and extend their useful lives. By providing tangible benefits, Construction 4.0 facilitates the adoption of CE by reducing waste, updating standard work, sharing knowledge, and increasing transparency and stability. This study aims to present a framework for integrating CE and digital tools like Building Information Modeling (BIM) and Virtual Reality (VR) to examine the impact on the construction industry based on stakeholders' perspectives.

Keywords: Circular Economy, Building Information Modeling, Virtual Reality, stakeholder engagement.

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Authors: Abeer Samy, Oliver C. Saavedra Valeriano, Abdelazim Negm

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The Blue Nile Basin is the most important tributary of the Nile River. Egypt and Sudan are almost dependent on water originated from the Blue Nile. This multi-dependency creates conflicts among the three countries Egypt, Sudan, and Ethiopia making the management of these conflicts as an international issue. Good assessment of the water resources of the Blue Nile is an important to help in managing such conflicts. Hydrological models are good tool for such assessment. This paper presents a critical review of the nature and variability of the climate and hydrology of the Blue Nile Basin as a first step of using hydrological modeling to assess the water resources of the Blue Nile. Many several attempts are done to develop basin-scale hydrological modeling on the Blue Nile. Lumped and semi distributed models used averages of meteorological inputs and watershed characteristics in hydrological simulation, to analyze runoff for flood control and water resource management. Distributed models include the temporal and spatial variability of catchment conditions and meteorological inputs to allow better representation of the hydrological process. The main challenge of all used models was to assess the water resources of the basin is the shortage of the data needed for models calibration and validation. It is recommended to use distributed model for their higher accuracy to cope with the great variability and complexity of the Blue Nile basin and to collect sufficient data to have more sophisticated and accurate hydrological modeling.

Keywords: Blue Nile Basin, Climate Change, Hydrological Modeling, Watershed.

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Authors: Thiang, Handry Khoswanto, Rendy Pangaldus

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Inverse kinematics analysis plays an important role in developing a robot manipulator. But it is not too easy to derive the inverse kinematic equation of a robot manipulator especially robot manipulator which has numerous degree of freedom. This paper describes an application of Artificial Neural Network for modeling the inverse kinematics equation of a robot manipulator. In this case, the robot has three degree of freedoms and the robot was implemented for drilling a printed circuit board. The artificial neural network architecture used for modeling is a multilayer perceptron networks with steepest descent backpropagation training algorithm. The designed artificial neural network has 2 inputs, 2 outputs and varies in number of hidden layer. Experiments were done in variation of number of hidden layer and learning rate. Experimental results show that the best architecture of artificial neural network used for modeling inverse kinematics of is multilayer perceptron with 1 hidden layer and 38 neurons per hidden layer. This network resulted a RMSE value of 0.01474.

Keywords: Artificial neural network, back propagation, inverse kinematics, manipulator, robot.

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Authors: H. Mahboubi, B. Moshiri, A. Khaki Seddigh

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Recently, a great amount of interest has been shown in the field of modeling and controlling hybrid systems. One of the efficient and common methods in this area utilizes the mixed logicaldynamical (MLD) systems in the modeling. In this method, the system constraints are transformed into mixed-integer inequalities by defining some logic statements. In this paper, a system containing three tanks is modeled as a nonlinear switched system by using the MLD framework. Comparing the model size of the three-tank system with that of a two-tank system, it is deduced that the number of binary variables, the size of the system and its complexity tremendously increases with the number of tanks, which makes the control of the system more difficult. Therefore, methods should be found which result in fewer mixed-integer inequalities.

Keywords: Hybrid systems, mixed-integer inequalities, mixed logical dynamical systems, multi-tank system.

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Authors: M. Kalamani, S. Valarmathy, M. Krishnamoorthi

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In this paper, Fuzzy C-Means clustering with Expectation Maximization-Gaussian Mixture Model based hybrid modeling algorithm is proposed for Continuous Tamil Speech Recognition. The speech sentences from various speakers are used for training and testing phase and objective measures are between the proposed and existing Continuous Speech Recognition algorithms. From the simulated results, it is observed that the proposed algorithm improves the recognition accuracy and F-measure up to 3% as compared to that of the existing algorithms for the speech signal from various speakers. In addition, it reduces the Word Error Rate, Error Rate and Error up to 4% as compared to that of the existing algorithms. In all aspects, the proposed hybrid modeling for Tamil speech recognition provides the significant improvements for speechto- text conversion in various applications.

Keywords: Speech Segmentation, Feature Extraction, Clustering, HMM, EM-GMM, CSR.

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Authors: Aliakbar Akbari, Majid Hashemipour, Shiva Mirshahi

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Radio-frequency identification has entered as a beneficial means with conforming GS1 standards to provide the best solutions in the manufacturing area. It competes with other automated identification technologies e.g. barcodes and smart cards with regard to high speed scanning, reliability and accuracy as well. The purpose of this study is to improve production line-s performance by implementing RFID system in the manufacturing area on the basis of radio-frequency identification (RFID) system by 3D modeling in the program Cinema 4D R13 which provides obvious graphical scenes for users to portray their applications. Finally, with regard to improving system performance, it shows how RFID appears as a well-suited technology in a comparison of the barcode scanner to handle different kinds of raw materials in the production line base on logical process.

Keywords: Radio Frequency Identification, Manufacturing and Production Lines, 3D modeling

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Authors: Akbar Zamaniyan, Alireza Behroozsarand, Hadi Ebrahimi

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Partial oxidation (POX) of light hydrocarbons (e.g. methane) is occurred in the first part of the autothermal reformer (ATR). The results of the detailed modeling of the reformer based on the thermodynamic model of the POX and 1D heterogeneous catalytic model for the fixed bed section are considered here. According to the results, the overall performance of the ATR can be improved by changing the important feed parameters.

Keywords: Autothermal Reformer, Partial Oxidation, Mathematical Modeling, Process Simulation, Syngas.

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Authors: M. Ghareh, L. Sepahi

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Temperature rise in a transformer depends on variety of parameters such as ambient temperature, output current and type of the core. Considering these parameters, temperature rise estimation is still complicated procedure. In this paper, we present a new model based on simple electrical equivalent circuit. This method avoids the complication associated to accurate estimation and is in very good agreement with practice.

Keywords: Thermal modeling, temperature rise, equivalent thermal circuit.

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Authors: Refaat M Mohamed, Ayman El-Baz, Aly A. Farag

Abstract:

This paper introduces a novel approach to estimate the clique potentials of Gibbs Markov random field (GMRF) models using the Support Vector Machines (SVM) algorithm and the Mean Field (MF) theory. The proposed approach is based on modeling the potential function associated with each clique shape of the GMRF model as a Gaussian-shaped kernel. In turn, the energy function of the GMRF will be in the form of a weighted sum of Gaussian kernels. This formulation of the GMRF model urges the use of the SVM with the Mean Field theory applied for its learning for estimating the energy function. The approach has been tested on synthetic texture images and is shown to provide satisfactory results in retrieving the synthesizing parameters.

Keywords: Image Modeling, MRF, Parameters Estimation, SVM Learning.

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Authors: R. Haddad, K. Morris, V. Buchanan-Wollaston

Abstract:

Biochemical and molecular analysis of some antioxidant enzyme genes revealed different level of gene expression on oilseed (Brassica napus). For molecular and biochemical analysis, leaf tissues were harvested from plants at eight different developmental stages, from young to senescence. The levels of total protein and chlorophyll were increased during maturity stages of plant, while these were decreased during the last stages of plant growth. Structural analysis (nucleotide and deduced amino acid sequence, and phylogenic tree) of a complementary DNA revealed a high level of similarity for a family of Catalase genes. The expression of the gene encoded by different Catalase isoforms was assessed during different plant growth phase. No significant difference between samples was observed, when Catalase activity was statistically analyzed at different developmental stages. EST analysis exhibited different transcripts levels for a number of other relevant antioxidant genes (different isoforms of SOD and glutathione). The high level of transcription of these genes at senescence stages was indicated that these genes are senescenceinduced genes.

Keywords: Biochemical analysis, Oilseed, Expression pattern, Growth phases

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Authors: Ivana Mokrá

Abstract:

The contribution deals with current or potential approaches to the modeling and optimization of tactical activities. This issue takes on importance in recent times, particularly with the increasing trend of digitized battlefield, the development of C4ISR systems and intention to streamline the command and control process at the lowest levels of command. From fundamental and philosophically point of view, this new approaches seek to significantly upgrade and enhance the decision-making process of the tactical commanders.

Keywords: Computer decision support, C4ISTAR, ISR, DSS, OTU

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Authors: Costin Pribeanu

Abstract:

The model-based approach to user interface design relies on developing separate models capturing various aspects about users, tasks, application domain, presentation and dialog structures. This paper presents a task modeling approach for user interface design and aims at exploring mappings between task, domain and presentation models. The basic idea of our approach is to identify typical configurations in task and domain models and to investigate how they relate each other. A special emphasis is put on applicationspecific functions and mappings between domain objects and operational task structures. In this respect, we will address two layers in task decomposition: a functional (planning) layer and an operational layer.

Keywords: task modeling, user interface design, unit tasks, basic tasks, operational task model.

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Authors: Sajjad Farashi

Abstract:

Neurons in the nervous system communicate with each other by producing electrical signals called spikes. To investigate the physiological function of nervous system it is essential to study the activity of neurons by detecting and sorting spikes in the recorded signal. In this paper a method is proposed for considering the spike sorting problem which is based on the nonlinear modeling of spikes using exponential autoregressive model. The genetic algorithm is utilized for model parameter estimation. In this regard some selected model coefficients are used as features for sorting purposes. For optimal selection of model coefficients, self-organizing feature map is used. The results show that modeling of spikes with nonlinear autoregressive model outperforms its linear counterpart. Also the extracted features based on the coefficients of exponential autoregressive model are better than wavelet based extracted features and get more compact and well-separated clusters. In the case of spikes different in small-scale structures where principal component analysis fails to get separated clouds in the feature space, the proposed method can obtain well-separated cluster which removes the necessity of applying complex classifiers.

Keywords: Exponential autoregressive model, Neural data, spike sorting, time series modeling.

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Authors: Ivan C. Mustakerov, Daniela I. Borissova

Abstract:

The paper proposes an approach for design of modular systems based on original technique for modeling and formulation of combinatorial optimization problems. The proposed approach is described on the example of personal computer configuration design. It takes into account the existing compatibility restrictions between the modules and can be extended and modified to reflect different functional and users- requirements. The developed design modeling technique is used to formulate single objective nonlinear mixedinteger optimization tasks. The practical applicability of the developed approach is numerically tested on the basis of real modules data. Solutions of the formulated optimization tasks define the optimal configuration of the system that satisfies all compatibility restrictions and user requirements.

Keywords: Constrained discrete combinatorial choice, modular systems design, optimization problem, PC configuration.

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