Search results for: martingale difference sequence

Authors: I. Murniece, L. Tomsone, I. Skrabule, A. Vaivode

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Many of the compounds present in potato are important because of their beneficial effects on health, therefore, are highly desirable in the human diet. Potato tubers contain significant amounts of anthocyanins. The aim of this research was to determine the content of anthocyanins and its relationship with the colour of organically and conventionally cultivated potato varieties. In the research eight potato samples of three potato varieties were analyzed on anthocyanins, dry matter content and color. Obtained results show that there was no significant influence on amount of anthocyanins between different cultivation environments (p>0.05) while between varieties – significant difference (p<0.05). Strong correlation between the amount of anthocyanins and color was determined.

Keywords: Potato variety, anthocyanins, organic, conventional, dry matter.

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Authors: Hoon Lee, Soonyoung Park, Kyoungho Choi

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Understanding road features such as lanes, the color of lanes, and sidewalks in a live video captured from a moving vehicle is essential to build video-based navigation systems. In this paper, we present a novel idea to understand the road features using support vector machines. Various feature vectors including color components of road markings and the difference between two regions, i.e., chosen AOIs, and so on are fed into SVM, deciding colors of lanes and sidewalks robustly. Experimental results are provided to show the robustness of the proposed idea.

Keywords: video-based navigation system, lane detection, SVMs, autonomous vehicles

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Authors: Awais Adnan, Muhammad Ali, Amir Hanif Dar

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Image Searching was always a problem specially when these images are not properly managed or these are distributed over different locations. Currently different techniques are used for image search. On one end, more features of the image are captured and stored to get better results. Storing and management of such features is itself a time consuming job. While on the other extreme if fewer features are stored the accuracy rate is not satisfactory. Same image stored with different visual properties can further reduce the rate of accuracy. In this paper we present a new concept of using polynomials of sorted histogram of the image. This approach need less overhead and can cope with the difference in visual features of image.

Keywords: Sorted Histogram, Polynomial Curves, feature pointsof images, Grayscale, visual properties of image.

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Authors: M. Zarebnia, R. Parvaz

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In this paper, numerical solutions of the nonlinear Benjamin-Bona-Mahony-Burgers (BBMB) equation are obtained by a method based on collocation of cubic B-splines. Applying the Von-Neumann stability analysis, the proposed method is shown to be unconditionally stable. The method is applied on some test examples, and the numerical results have been compared with the exact solutions. The L∞ and L2 in the solutions show the efficiency of the method computationally.

Keywords: Benjamin-Bona-Mahony-Burgers equation, Cubic Bspline, Collocation method, Finite difference.

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Authors: Zaineb Ben Messaoud, Dorra Gargouri, Saida Zribi, Ahmed Ben Hamida

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This paper presents a formant-tracking linear prediction (FTLP) model for speech processing in noise. The main focus of this work is the detection of formant trajectory based on Hidden Markov Models (HMM), for improved formant estimation in noise. The approach proposed in this paper provides a systematic framework for modelling and utilization of a time- sequence of peaks which satisfies continuity constraints on parameter; the within peaks are modelled by the LP parameters. The formant tracking LP model estimation is composed of three stages: (1) a pre-cleaning multi-band spectral subtraction stage to reduce the effect of residue noise on formants (2) estimation stage where an initial estimate of the LP model of speech for each frame is obtained (3) a formant classification using probability models of formants and Viterbi-decoders. The evaluation results for the estimation of the formant tracking LP model tested in Gaussian white noise background, demonstrate that the proposed combination of the initial noise reduction stage with formant tracking and LPC variable order analysis, results in a significant reduction in errors and distortions. The performance was evaluated with noisy natual vowels extracted from international french and English vocabulary speech signals at SNR value of 10dB. In each case, the estimated formants are compared to reference formants.

Keywords: Formants Estimation, HMM, Multi Band Spectral Subtraction, Variable order LPC coding, White Gauusien Noise.

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Authors: Kyong-min Lee, Moon Soo Chang, PooGyeon Park

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In this paper, we propose a geometric modeling of illumination on the patterned image containing etching transistor. This image is captured by a commercial camera during the inspection of a TFT-LCD panel. Inspection of defect is an important process in the production of LCD panel, but the regional difference in brightness, which has a negative effect on the inspection, is due to the uneven illumination environment. In order to solve this problem, we present a geometric modeling of illumination consisting of an interpolation using the least squares method and 3D modeling using bezier surface. Our computational time, by using the sampling method, is shorter than the previous methods. Moreover, it can be further used to correct brightness in every patterned image.

Keywords: Bezier, defect, geometric modeling, illumination, inspection, LCD, panel.

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Authors: Mustafa M. Donma, Orkide Donma

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Metabolic syndrome (MetS) is a severe health problem caused by morbid obesity, the severest form of obesity. The components of MetS are rather stable in adults. However, the diagnosis of MetS in morbid obese (MO) children still constitutes a matter of discussion. The aim of this study was to develop a formula, which facilitated the diagnosis of MetS in MO children and was capable of discriminating MO children with and without MetS findings. The study population comprised MO children. Age and sex-dependent body mass index (BMI) percentiles of the children were above 99. Increased blood pressure, elevated fasting blood glucose (FBG), elevated triglycerides (TRG) and/or decreased high density lipoprotein cholesterol (HDL-C) in addition to central obesity were listed as MetS components for each child. Two groups were constituted. In the first group, there were 42 MO children without MetS components. Second group was composed of 44 MO children with at least two MetS components. Anthropometric measurements including weight, height, waist and hip circumferences were performed during physical examination. BMI and homeostatic model assessment of insulin resistance (HOMA-IR) values were calculated. Informed consent forms were obtained from the parents of the children. Institutional Non-Interventional Clinical Studies Ethics Committee approved the study design. Routine biochemical analyses including FBG, insulin (INS), TRG, HDL-C were performed. The performance and the clinical utility of Diagnostic Obesity Notation Model Assessment Metabolic Syndrome Index (DONMA MetS index) [(INS/FBG)/(HDL-C/TRG)*100] was tested. Appropriate statistical tests were applied to the study data. p value smaller than 0.05 was defined as significant. MetS index values were 41.6 ± 5.1 in MO group and 104.4 ± 12.8 in MetS group. Corresponding values for HDL-C values were 54.5 ± 13.2 mg/dl and 44.2 ± 11.5 mg/dl. There was a statistically significant difference between the groups (p < 0.001). Upon evaluation of the correlations between MetS index and HDL-C values, a much stronger negative correlation was found in MetS group (r = -0.515; p = 0.001) in comparison with the correlation detected in MO group (r = -0.371; p = 0.016). From these findings, it was concluded that the statistical significance degree of the difference between MO and MetS groups was highly acceptable for this recently introduced MetS index. This was due to the involvement of all of the biochemically defined MetS components into the index. This is particularly important because each of these four parameters used in the formula is a cardiac risk factor. Aside from discriminating MO children with and without MetS findings, MetS index introduced in this study is important from the cardiovascular risk point of view in MetS group of children.

Keywords: Fasting blood glucose, high density lipoprotein cholesterol, insulin, metabolic syndrome, morbid obesity, triglycerides.

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Authors: Ola A. Younis, Said Ghoul

Abstract:

Systems running these days are huge, complex and exist in many versions. Controlling these versions and tracking their changes became a very hard process as some versions are created using meaningless names or specifications. Many versions of a system are created with no clear difference between them. This leads to mismatching between a user’s request and the version he gets. In this paper, we present a system versions meta-modeling approach that produces versions based on system’s features. This model reduced the number of steps needed to configure a release and gave each version its unique specifications. This approach is applicable for systems that use features in its specification.

Keywords: Features, Meta-modeling, Semantic Modeling, SPL, VCS, Versioning.

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Authors: Abdeljalil Métioui

Abstract:

This article identifies the conceptual representations of 128 students enrolled in elementary pre-service teachers’ education in the Province of Quebec, Canada (ages 19-24). To construct their conceptual representations relatively to notions of heat and temperature, we use a qualitative research approach. For that, we distributed them a questionnaire including four questions. The result demonstrates that these students tend to view the temperature as a measure of the hotness of an object or person. They also related the sensation of cold (or warm) to the difference in temperature, and for their majority, the physical change of the matter does not require a constant temperature. These representations are inaccurate relatively to the scientific views, and we will see that they are relevant to the design of teaching strategies based on conceptual conflict.

Keywords: Conceptual representations, heat, temperature, pre-service teachers, elementary school.

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Authors: Ahmad T. Al-Taani, Noor Aldeen K. Al-Awad

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In this study, a fuzzy similarity approach for Arabic web pages classification is presented. The approach uses a fuzzy term-category relation by manipulating membership degree for the training data and the degree value for a test web page. Six measures are used and compared in this study. These measures include: Einstein, Algebraic, Hamacher, MinMax, Special case fuzzy and Bounded Difference approaches. These measures are applied and compared using 50 different Arabic web-pages. Einstein measure was gave best performance among the other measures. An analysis of these measures and concluding remarks are drawn in this study.

Keywords: Text classification, HTML, web pages, machine learning, fuzzy logic, Arabic web pages.

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Authors: Reza Mokhtari Malek Abadi, Mohsen Saghaei, Fatima Iman

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This paper investigates the indices of a creative city in Isfahan. Its main aim is to evaluate quantitative status of the creative city indices in Isfahan city, analyze the dispersion and distribution of these indices in Isfahan city. Concerning these, this study tries to analyze the creative city indices in fifteen area of Isfahan through secondary data, questionnaire, TOPSIS model, Shannon entropy and SPSS. Based on this, the fifteen areas of Isfahan city have been ranked with 12 factors of creative city indices. The results of studies show that fifteen areas of Isfahan city are not equally benefiting from creative indices and there is much difference between the areas of Isfahan city.

Keywords: Grading, creative city, creative city evaluation indicators, regional planning model.

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Authors: N. Nandan A. M. Nagaraj, L. Sanjeev Kumar

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In the rapidly growing population, the requirement of electrical power is increasing day by day. In order to meet the needs, we need to generate the power using alternate method. In this paper, a presentable approach is developed by analysis and can be implemented by utilizing heat energy, which is generated in numerous ways in some of the rural areas in India. The thermoelectric generator unit will be developed by combing with control circuits and converts, which is used to light the LED lamps. The temperature difference which is available in the kitchens, especially the exhaust pipes/chimneys of wooden fire stoves, where more heat is dissipated into the atmosphere, can be utilized for electrical power generation. Hence, the temperature rise of surroundings atmosphere can be reduced.

Keywords: Thermoelectric generator, LED, converts, temperature.

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Authors: Z. Pavlík, J. Kočí, M. Pavlíková, R. Černý

Abstract:

Combined experimental and computational analysis of hygrothermal performance of an interior thermal insulation system applied on a brick wall is presented in the paper. In the experimental part, the functionality of the insulation system is tested at simulated difference climate conditions using a semi-scale device. The measured temperature and relative humidity profiles are used for the calibration of computer code HEMOT that is finally applied for a long-term hygrothermal analysis of the investigated structure.

Keywords: Additional thermal insulation, hygrothermal analysis, semi-scale testing, long-term computational analysis

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Authors: Yash Pal, A.Swarup, Bhim Singh

Abstract:

This paper presents a novel control strategy of a threephase four-wire Unified Power Quality (UPQC) for an improvement in power quality. The UPQC is realized by integration of series and shunt active power filters (APFs) sharing a common dc bus capacitor. The shunt APF is realized using a thee-phase, four leg voltage source inverter (VSI) and the series APF is realized using a three-phase, three leg VSI. A control technique based on unit vector template technique (UTT) is used to get the reference signals for series APF, while instantaneous sequence component theory (ISCT) is used for the control of Shunt APF. The performance of the implemented control algorithm is evaluated in terms of power-factor correction, load balancing, neutral source current mitigation and mitigation of voltage and current harmonics, voltage sag and swell in a three-phase four-wire distribution system for different combination of linear and non-linear loads. In this proposed control scheme of UPQC, the current/voltage control is applied over the fundamental supply currents/voltages instead of fast changing APFs currents/voltages, there by reducing the computational delay and the required sensors. MATLAB/Simulink based simulations are obtained, which support the functionality of the UPQC. MATLAB/Simulink based simulations are obtained, which support the functionality of the UPQC.

Keywords: Power Quality, UPQC, Harmonics, Load Balancing, Power Factor Correction, voltage harmonic mitigation, currentharmonic mitigation, voltage sag, swell

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Authors: Farhad Asadi, S. Hossein Sadati

Abstract:

Bayesian approach can be used for parameter identification and extraction in state space models and its ability for analyzing sequence of data in dynamical system is proved in different literatures. In this paper, adaptive Kalman filter with Bayesian approach for identification of variances in measurement parameter noise is developed. Next, it is applied for estimation of the dynamical state and measurement data in discrete linear dynamical system. This algorithm at each step time estimates noise variance in measurement noise and state of system with Kalman filter. Next, approximation is designed at each step separately and consequently sufficient statistics of the state and noise variances are computed with a fixed-point iteration of an adaptive Kalman filter. Different simulations are applied for showing the influence of noise variance in measurement data on algorithm. Firstly, the effect of noise variance and its distribution on detection and identification performance is simulated in Kalman filter without Bayesian formulation. Then, simulation is applied to adaptive Kalman filter with the ability of noise variance tracking in measurement data. In these simulations, the influence of noise distribution of measurement data in each step is estimated, and true variance of data is obtained by algorithm and is compared in different scenarios. Afterwards, one typical modeling of nonlinear state space model with inducing noise measurement is simulated by this approach. Finally, the performance and the important limitations of this algorithm in these simulations are explained. 

Keywords: adaptive filtering, Bayesian approach Kalman filtering approach, variance tracking

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Authors: Olesya Bolkhovskaya, Alexander Maltsev

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In this work the characteristics of spatial signal detec¬tion from an antenna array in various sample cases are investigated. Cases for a various number of available prior information about the received signal and the background noise are considered. The spatial difference between a signal and noise is only used. The performance characteristics and detecting curves are presented. All test-statistics are obtained on the basis of the generalized likelihood ratio (GLR). The received results are correct for a short and long sample.

Keywords: GLR test-statistic, detection task, generalized likelihood ratio, antenna array, detection curves, performance characteristics.

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Authors: Aarthi Chandramohan, M. V. C. Rao

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This paper presents three new methodologies for the basic operations, which aim at finding new ways of computing union (maximum) and intersection (minimum) membership values by taking into effect the entire membership values in a fuzzy set. The new methodologies are conceptually simple and easy from the application point of view and are illustrated with a variety of problems such as Cartesian product of two fuzzy sets, max –min composition of two fuzzy sets in different product spaces and an application of an inverted pendulum to determine the impact of the new methodologies. The results clearly indicate a difference based on the nature of the fuzzy sets under consideration and hence will be highly useful in quite a few applications where different values have significant impact on the behavior of the system.

Keywords: Centroid, fuzzy set operations, intersection, triangular norms , triangular S-norms, union.

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Authors: Jinkyu Park, Yungjin Kim, Byungdeok In, Sangki Park, Kihyung Lee

Abstract:

Internal combustion engines rejects 30-40% of the energy supplied by fuel to the environment through exhaust gas. thus, there is a possibility for further significant improvement of efficiency with the utilization of exhaust gas energy and its conversion to mechanical energy or electrical energy. The Thermo-Electric Generator (TEG) will be located in the exhaust system and will make use of an energy flow between the warmer exhaust gas and the external environment. Predict to th optimum position of temperature distribution and the performance of TEG through numerical analysis. The experimental results obtained show that the power output significantly increases with the temperature difference between cold and hot sides of a thermoelectric generator.

Keywords: Thermoelectric generator, Numerical analysis, Seebeck coefficient, Figure of merit

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Authors: Nicole S. McKinney

Abstract:

The purpose of the study was to determine if, among 32 brain injured adults in community rehabilitation programs, there is a statistically significant relationship between the degree of severity of brain injury and these adults- level of self-esteem and stress. The researcher hypothesized there would be a statistically significant difference and a statistically significant relationship in self-esteem and stress levels among and TBI adults. A Pearson product moment correlational analysis was implemented and results found a statistically significant relationship between self-esteem and stress levels. Future recommendations were suggested upon completion of research.

Keywords: anxiety, community recovery center, head-trauma persons, self-concept

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Authors: Qingjiang Li, Hui Xu, Haijun Liu, Xiaobo Tian

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To judge whether the memristor can be interpreted as the fourth fundamental circuit element, we propose a variable-relation criterion of fundamental circuit elements. According to the criterion, we investigate the nature of three fundamental circuit elements and the memristor. From the perspective of variables relation, the memristor builds a direct relation between the voltage across it and the current through it, instead of a direct relation between the magnetic flux and the charge. Thus, it is better to characterize the memristor and the resistor as two special cases of the same fundamental circuit element, which is the memristive system in Chua-s new framework. Finally, the definition of memristor is refined according to the difference between the magnetic flux and the flux linkage.

Keywords: Memristor, Fundamental, Variable-Relation Criterion, Memristive system

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Authors: Violetta Parutis

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This qualitative study aims to answer the following research questions: i) What are the factors that students perceive as relevant to a) promoting and b) preventing good grades? ii) How does socio-economic status (SES) feature in those beliefs? We conducted in-depth interviews with 19 first- and second-year undergraduates of varying SES at a research-intensive university in the UK. The interviews yielded eight factors that students perceived as promoting and six perceived as preventing good grades. The findings suggested one significant difference between the beliefs of low and high SES students in that low SES students perceive themselves to be at a greater disadvantage to their peers while high SES students do not have such beliefs. This could have knock-on effects on their performance.

Keywords: Social class, education, academic performance, students’ beliefs.

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Authors: Te Wen Tu, Sen Yung Lee

Abstract:

An alternative approach is proposed to develop the analytic solution for one dimensional heat conduction with one mixed type boundary condition and general time-dependent heat transfer coefficient. In this study, the physic meaning of the solution procedure is revealed. It is shown that the shifting function takes the physic meaning of the reciprocal of Biot function in the initial time. Numerical results show the accuracy of this study. Comparing with those given in the existing literature, the difference is less than 0.3%.

Keywords: Analytic solution, heat transfer coefficient, shifting function method, time-dependent boundary condition.

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Authors: Klara Krizova, Rudolf Hela

Abstract:

The paper reflects current state of popularization of static elasticity modulus of concrete. This parameter is undoubtedly very important for designing of concrete structures, and very often neglected and rarely determined before designing concrete technology itself. The paper describes assessment and comparison of four mix designs with almost constant dosage of individual components. The only difference is area of origin of small size fraction of aggregate 0/4. Development of compressive strength and static elasticity modulus at the age of 7, 28 and 180 days were observed. As the experiment showed, designing of individual components and their quality are the basic factor influencing elasticity modulus of current concrete.

Keywords: Concrete, Aggregate, Strength, Elasticity Modulus, Quality

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Authors: Sudhir Agashe, Ashok Ghatol, Sujata Agashe

Abstract:

In this paper the development of a heat exchanger as a pilot plant for educational purpose is discussed and the use of neural network for controlling the process is being presented. The aim of the study is to highlight the need of a specific Pseudo Random Binary Sequence (PRBS) to excite a process under control. As the neural network is a data driven technique, the method for data generation plays an important role. In light of this a careful experimentation procedure for data generation was crucial task. Heat exchange is a complex process, which has a capacity and a time lag as process elements. The proposed system is a typical pipe-in- pipe type heat exchanger. The complexity of the system demands careful selection, proper installation and commissioning. The temperature, flow, and pressure sensors play a vital role in the control performance. The final control element used is a pneumatically operated control valve. While carrying out the experimentation on heat exchanger a welldrafted procedure is followed giving utmost attention towards safety of the system. The results obtained are encouraging and revealing the fact that if the process details are known completely as far as process parameters are concerned and utilities are well stabilized then feedback systems are suitable, whereas neural network control paradigm is useful for the processes with nonlinearity and less knowledge about process. The implementation of NN control reinforces the concepts of process control and NN control paradigm. The result also underlined the importance of excitation signal typically for that process. Data acquisition, processing, and presentation in a typical format are the most important parameters while validating the results.

Keywords: Process identification, neural network, heat exchanger.

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Authors: Meftah Ali

Abstract:

This article aims to analyze the static stability and pseudostatic slope by using different methods such as: Bishop method, Junbu, Ordinary, Morgenstern-price and GLE. The two dimensional modeling of slope stability under various loading as: the earthquake effect, the water level and road mobile charges. The results show that the slope is stable in the static case without water, but in other cases, the slope lost its stability and give unstable. The calculation of safety factor is to evaluate the stability of the slope using the limit equilibrium method despite the difference between the results obtained by these methods that do not rely on the same assumptions. In the end, the results of this study illuminate well the influence of the action of water, moving loads and the earthquake on the stability of the slope.

Keywords: Slope stability, pseudo static, safety factor, limit equilibrium.

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Authors: Korbi Fakhri

Abstract:

In this article, we have elaborated a study over the nature of financial intermediation in Islamic banks by comparison to those of conventional ones. We have found a striking difference between two kinds of intermediation. We tried, from another side, to study the relationship between the capital level and deficiency risk relying on econometric model, and we have obtained a positive and significant relation between the capital and the deficiency risk for the conventional banks. This means that when the capital of these banks increases, the deficiency risk increases as well. In return, since the Islamic banks are constrained to respect the Sharia Committee as well as customers’ demands that may, in certain contracts, choose to invest their capitals in projects they are interested in. These constraints have as effects to reduce the deficiency risk even when the capital increases.

Keywords: Conventional bank, deficiency risk, financial intermediation, Islamic bank.

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Authors: Pedro Pablo González Pérez, Hiram I. Beltrán, Arturo Rojo-Domínguez, Máximo EduardoSánchez Gutiérrez

Abstract:

Multi-agent system approach has proven to be an effective and appropriate abstraction level to construct whole models of a diversity of biological problems, integrating aspects which can be found both in "micro" and "macro" approaches when modeling this type of phenomena. Taking into account these considerations, this paper presents the important computational characteristics to be gathered into a novel bioinformatics framework built upon a multiagent architecture. The version of the tool presented herein allows studying and exploring complex problems belonging principally to structural biology, such as protein folding. The bioinformatics framework is used as a virtual laboratory to explore a minimalist model of protein folding as a test case. In order to show the laboratory concept of the platform as well as its flexibility and adaptability, we studied the folding of two particular sequences, one of 45-mer and another of 64-mer, both described by an HP model (only hydrophobic and polar residues) and coarse grained 2D-square lattice. According to the discussion section of this piece of work, these two sequences were chosen as breaking points towards the platform, in order to determine the tools to be created or improved in such a way to overcome the needs of a particular computation and analysis of a given tough sequence. The backwards philosophy herein is that the continuous studying of sequences provides itself important points to be added into the platform, to any time improve its efficiency, as is demonstrated herein.

Keywords: multi-agent systems, blackboard-based agent architecture, bioinformatics framework, virtual laboratory, protein folding.

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Authors: Won-Sub Lee, Sung-Gaun Kim

Abstract:

Rotational Smart Lighting Control System can supply the quantity of lighting which is required to run plants by rotating few LED and Fluorescent instead of that are used in the existing plant factories.The initial installation of the existing plants factory is expensive, so in order to solve the problem with smart lighting control system was developed. The beam required intensity for the growth of crops, Photosynthetic Photon Flux Density(PPFD)is calculated; and the number of LED, are installed on the blades, set; using the Lighting Simulation Program.Relux, it is able to confirm that the difference of the beam intensity between the center and the outer of lighting system when the lighting device is rotating.

Keywords: Plant Factory, Lighting Control System, Rotational Lighting System, Lighting Equipment

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Authors: M. K. M. Safee, W. A. B. Wan Abas, N. A. Abu Osman, F. Ibrahim

Abstract:

This paper investigates the activity of the gastrocnemius (Gas) muscle in healthy subjects during salat (ruku- position) and specific exercise [Unilateral Plantar Flexion Exercise (UPFE)] using electromyography (EMG). Both lateral and medial Gas muscles were assessed. A group of undergraduates aged between 19 to 25 years voluntarily participated in this study. The myoelectric activity of the muscles were recorded and analyzed. The finding indicated that there were contractions of the muscles during the salat and exercise with almost same EMG-s level. From the result, Wilcoxon-s Rank Sum test showed no significant difference between ruku- and UPFE for both medial (p=0.082) and lateral (p=0.226) of GAS muscles. Therefore, salat may be useful in strengthening exercise and also in rehabilitation programs for lower limb activities.

Keywords: Electromyography, salat, exercise, muscle.

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Authors: Nurul Bahiyah Ahmad Khairudin, Habibah A Wahab

Abstract:

A new approach to predict the 3D structures of proteins by combining the knowledge-based method and Molecular Dynamics Simulation is presented on the chicken villin headpiece subdomain (HP-36). Comparative modeling is employed as the knowledge-based method to predict the core region (Ala9-Asn28) of the protein while the remaining residues are built as extended regions (Met1-Lys8; Leu29-Phe36) which then further refined using Molecular Dynamics Simulation for 120 ns. Since the core region is built based on a high sequence identity to the template (65%) resulting in RMSD of 1.39 Å from the native, it is believed that this well-developed core region can act as a 'nucleation center' for subsequent rapid downhill folding. Results also demonstrate that the formation of the non-native contact which tends to hamper folding rate can be avoided. The best 3D model that exhibits most of the native characteristics is identified using clustering method which then further ranked based on the conformational free energies. It is found that the backbone RMSD of the best model compared to the NMR-MDavg is 1.01 Å and 3.53 Å, for the core region and the complete protein, respectively. In addition to this, the conformational free energy of the best model is lower by 5.85 kcal/mol as compared to the NMR-MDavg. This structure prediction protocol is shown to be effective in predicting the 3D structure of small globular protein with a considerable accuracy in much shorter time compared to the conventional Molecular Dynamics simulation alone.

Keywords: 3D model, Chicken villin headpiece subdomain, Molecular dynamic simulation NMR-MDavg, RMSD.

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