Search results for: molecular modeling

Authors: Belin Tavakoly Sany, Aishah Salleh, Abdul Halim Sulaiman, Ghazaleh Monazami Tehrani

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The pollution of sediments sampled from the North Port by polycyclic aromatic hydrocarbons (PAHs) was investigated. Concentrations of PAHs estimated in the port sediments ranged from 199 to 2851.2 μg/kg dw. The highest concentration was found which is closed to the Berth line, this locations affected by intensive shipping activities and Land based runoff and they were dominated by the high molecular weight PAHs (4–6- rings). Source identification showed that PAHs originated mostly from the pyrogenic source either from the combustion of fossil fuels, grass, wood and coal (majority of the samples). Ecological Risk Assessment on the port sediments presented that slightly adverse ecological effects to biological community are expected to occur at the vicinity of the stations 1 and 4. Thus PAHs are not considered as pollutants of concern in the North Port.

Keywords: PAHs, North Port, Ecological Risk, sediment

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Authors: Birol Yildiz, Abdullah Yalama, Metin Coskun

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Many studies have shown that Artificial Neural Networks (ANN) have been widely used for forecasting financial markets, because of many financial and economic variables are nonlinear, and an ANN can model flexible linear or non-linear relationship among variables. The purpose of the study was to employ an ANN models to predict the direction of the Istanbul Stock Exchange National 100 Indices (ISE National-100). As a result of this study, the model forecast the direction of the ISE National-100 to an accuracy of 74, 51%.

Keywords: Artificial Neural Networks, Istanbul StockExchange, Non-linear Modeling.

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Authors: El H. Bouziani, H. A. Reguieg Yssaad

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The phytotoxicity of heavy metals can be expressed on roots and visible part of plants and is characterized by molecular and metabolic answers at various levels of organization of the whole plant. The present study was undertaken on two varieties of broad bean Vicia faba (Sidi Aïch and Super Aguadulce). The device was mounted on a substrate prepared by mixing sand, soil and compost, the substrate was artificially contaminated with three doses of lead nitrate [Pb(NO3)2] 0, 500 and 1000 ppm. Our objective is to follow the behavior of plant opposite the stress by evaluating the physiological parameters. The results reveal a reduction in the parameters of the productivity (chlorophyll and proteins production) with an increase in the osmoregulators (soluble sugars and proline).These results show that the production of broad bean is strongly modified by the disturbance of its internal physiology under lead exposure.

Keywords: Broad bean, lead, stress, physiological parameters, phytotoxicity.

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Authors: Yi-Chun Kuo, Jo-Chieh Lin

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The objective of a supply chain strategy is to reduce waste and increase efficiency to attain cost benefits, and to guarantee supply chain flexibility when facing the ever-changing market environment in order to meet customer requirements. Strategy implementation aims to fulfill common goals and attain benefits by integrating upstream and downstream enterprises, sharing information, conducting common planning, and taking part in decision making, so as to enhance the overall performance of the supply chain. With the rise of outsourcing and globalization, the increasing dependence on suppliers and customers and the rapid development of information technology, the complexity and uncertainty of the supply chain have intensified, and supply chain vulnerability has surged, resulting in adverse effects on supply chain performance. Thus, this study aims to use supply chain vulnerability as a moderating variable and apply structural equation modeling (SEM) to determine the relationships among supply chain strategy, supply chain integration, and supply chain performance, as well as the moderating effect of supply chain vulnerability on supply chain performance. The data investigation of this study was questionnaires which were collected from the management level of enterprises in Taiwan and China, 149 questionnaires were received. The result of confirmatory factor analysis shows that the path coefficients of supply chain strategy on supply chain integration and supply chain performance are positive (0.497, t= 4.914; 0.748, t= 5.919), having a significantly positive effect. Supply chain integration is also significantly positively correlated to supply chain performance (0.192, t = 2.273). The moderating effects of supply chain vulnerability on supply chain strategy and supply chain integration to supply chain performance are significant (7.407; 4.687). In Taiwan, 97.73% of enterprises are small- and medium-sized enterprises (SMEs) focusing on receiving original equipment manufacturer (OEM) and original design manufacturer (ODM) orders. In order to meet the needs of customers and to respond to market changes, these enterprises especially focus on supply chain flexibility and their integration with the upstream and downstream enterprises. According to the observation of this research, the effect of supply chain vulnerability on supply chain performance is significant, and so enterprises need to attach great importance to the management of supply chain risk and conduct risk analysis on their suppliers in order to formulate response strategies when facing emergency situations. At the same time, risk management is incorporated into the supply chain so as to reduce the effect of supply chain vulnerability on the overall supply chain performance.

Keywords: Supply chain integration, supply chain performance, supply chain vulnerability, structural equation modeling.

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Authors: Zdravka Aljinović, Branka Marasović, Blanka Škrabić

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The paper provides a discussion of the most relevant aspects of yield curve modeling. Two classes of models are considered: stochastic and parsimonious function based, through the approaches developed by Vasicek (1977) and Nelson and Siegel (1987). Yield curve estimates for Croatia are presented and their dynamics analyzed and finally, a comparative analysis of models is conducted.

Keywords: the term structure of interest rates, Vasicek model, Nelson-Siegel model, Croatian Government market.

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Authors: Thiago M. R Dias, Gray F. Moita

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The analysis of scientific collaboration networks has contributed significantly to improving the understanding of how does the process of collaboration between researchers and also to understand how the evolution of scientific production of researchers or research groups occurs. However, the identification of collaborations in large scientific databases is not a trivial task given the high computational cost of the methods commonly used. This paper proposes a method for identifying collaboration in large data base of curriculum researchers. The proposed method has low computational cost with satisfactory results, proving to be an interesting alternative for the modeling and characterization of large scientific collaboration networks.

Keywords: Extraction and data integration, Information Retrieval, Scientific Collaboration.

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Authors: Sajith Sajeev, Brenton McLaury, Siamack Shirazi

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In the petroleum industry, solid particles are often present along with the produced fluids. It is imperative to keep particles from accumulating in flow lines. In this study, various experiments are conducted to study sand particle transport, where critical velocity is defined as the average fluid velocity to keep particles continuously moving. Many parameters related to the fluid, particles and pipe affect the transport process. Experimental results are presented varying the particle concentration. Additionally, CFD simulations using a discrete element modeling (DEM) approach are presented to compare with experimental result.

Keywords: Particle transport, critical velocity, CFD, DEM.

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Authors: Chyn Liaw, Chun-Wei Tung, Shinn-Jang Ho, Shinn-Ying Ho

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The γ-turns play important roles in protein folding and molecular recognition. The prediction and analysis of γ-turn types are important for both protein structure predictions and better understanding the characteristics of different γ-turn types. This study proposed a physicochemical property-based decision tree (PPDT) method to interpretably predict γ-turn types. In addition to the good prediction performance of PPDT, three simple and human interpretable IF-THEN rules are extracted from the decision tree constructed by PPDT. The identified informative physicochemical properties and concise rules provide a simple way for discriminating and understanding γ-turn types.

Keywords: Classification and regression tree (CART), γ-turn, Physicochemical properties, Protein secondary structure.

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Authors: Abdurahman H. Nour, Rosli M. Yunus, Azhary. H. Nour

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The mechanism of microwave heating is essentially that of dielectric heating. After exposing the emulsion to the microwave Electromagnetic (EM) field, molecular rotation and ionic conduction due to the penetration of (EM) into the emulsion are responsible for the internal heating. To determine the capability of microwave technology in demulsification of crude oil emulsions, microwave demulsification method was applied in a 50-50 % and 20- 80 % water-in-oil emulsions with microwave exposure time varied from 20-180 sec. Transient temperature profiles of water-in-oil emulsions inside a cylindrical container were measured. The temperature rise at a given location was almost horizontal (linear). The average rates of temperature increase of 50-50 % and 20-80 % water-in-oil emulsions are 0.351 and 0.437 oC/sec, respectively. The rate of temperature increase of emulsions decreased at higher temperature due to decreasing dielectric loss of water. These results indicate that microwave demulsification of water-in-oil emulsions does not require chemical additions. Microwave has the potential to be used as an alternative way in the demulsification process.

Keywords: Demulsification, temperature profile, emulsion.Microwave heating, dielectric, volume rate.

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Authors: N. Veerasamy, JPH Eloff

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Network warfare is an emerging concept that focuses on the network and computer based forms through which information is attacked and defended. Various computer and network security concepts thus play a role in network warfare. Due the intricacy of the various interacting components, a model to better understand the complexity in a network warfare environment would be beneficial. Non-quantitative modeling is a useful method to better characterize the field due to the rich ideas that can be generated based on the use of secular associations, chronological origins, linked concepts, categorizations and context specifications. This paper proposes the use of non-quantitative methods through a morphological analysis to better explore and define the influential conditions in a network warfare environment.

Keywords: Morphological, non-quantitative, network warfare.

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Authors: Li Yuan, Weizhu Wang, Kean Boon Lee, Haifeng Sun, Susai Lawrence Selvaraj, Shane Todd, Guo-Qiang Lo

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In this work, the physical based device model of AlGaN/GaN high electron mobility transistors (HEMTs) has been established and the corresponding device operation behavior has been investigated also by using Sentaurus TCAD from Synopsys. Advanced AlGaN/GaN hetero-structures with GaN cap layer and AlN spacer have been considered and the GaN cap layer and AlN spacer are found taking important roles on the gate leakage blocking and off-state breakdown voltage enhancement.

Keywords: AlGaN/GaN, HEMT, Physical mechanism, TCAD simulation

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Authors: Livier Serna, Xavier Fischer, Fouad Bennis

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In this paper, a decision aid method for preoptimization is presented. The method is called “negotiation", and it is based on the identification, formulation, modeling and use of indicators defined as “negotiation indicators". These negotiation indicators are used to explore the solution space by means of a classbased approach. The classes are subdomains for the negotiation indicators domain. They represent equivalent cognitive solutions in terms of the negotiation indictors being used. By this method, we reduced the size of the solution space and the criteria, thus aiding the optimization methods. We present an example to show the method.

Keywords: Optimization Model Reduction, Pre-Optimization, Negotiation Process, Class-Making, Cognition Based VirtualExploration.

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Authors: Kar Foo Chong, Pradeep K. Gopalakrishnan, T. Hui Teo

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There are multiple ways to implement a decimator filter. This paper addresses usage of CIC (cascaded-integrator-comb) filter and HB (half band) filter as the decimator filter to reduce the frequency sample rate by factor of 64 and detail of the implementation step to realize this design in hardware. Low power design approach for CIC filter and half band filter will be discussed. The filter design is implemented through MATLAB system modeling, ASIC (application specific integrated circuit) design flow and verified using a FPGA (field programmable gate array) board and MATLAB analysis.

Keywords: CIC filter, decimation filter, half-band filter, lowpower.

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Authors: Alfred L. Guiffrida

Abstract:

A review of the literature on supply chain delivery models which use delivery windows to measure delivery performance is presented. The review herein serves to meet the following objectives: (i) provide a synthesis of previously published literature on supply chain delivery performance models, (ii) provide in one paper a consolidation of research that can serve as a single source to keep researchers up to date with the research developments in supply chain delivery models, and (iii) identify gaps in the modeling of supply chain delivery performance which could stimulate new research agendas.

Keywords: Delivery performance, Delivery window, Supply chain delivery models, Supply chain performance.

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Authors: B. Fahimnia, L.H.S. Luong, R. M. Marian

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The Aggregate Production Plan (APP) is a schedule of the organization-s overall operations over a planning horizon to satisfy demand while minimizing costs. It is the baseline for any further planning and formulating the master production scheduling, resources, capacity and raw material planning. This paper presents a methodology to model the Aggregate Production Planning problem, which is combinatorial in nature, when optimized with Genetic Algorithms. This is done considering a multitude of constraints of contradictory nature and the optimization criterion – overall cost, made up of costs with production, work force, inventory, and subcontracting. A case study of substantial size, used to develop the model, is presented, along with the genetic operators.

Keywords: Aggregate Production Planning, Costs, and Optimization.

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Authors: Arpita Soni, Sapna Mittal

Abstract:

Austenite and Martensite indicate the phases of solids undergoing phase transformation which we usually associate with materials and not with living organisms. This article provides an overview of bacterial proteins and structures that are undergoing phase transformation and suggests its probable effect on mechanical behavior. The context is mainly within the role of phase transformations occurring in the flagellum of bacteria. The current knowledge of molecular mechanism leading to phase variation in living organisms is reviewed. Since in bacteria, each flagellum is driven by a separate motor, similarity to a Differential drive in case of four-wheeled vehicles is suggested. It also suggests the application of the mechanism in which bacteria changes its direction of movement to facilitate single point turning of a multi-wheeled vehicle. Finally, examples are presented to illustrate that the motion due to phase transformation of flagella in bacteria can start a whole new research on motion mechanisms.

Keywords: Flagella, Phase Transformation, Nanobots, Differential Drive, Single point turn, Biomimetics

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Authors: Juan L. Castro, Maria I. NavarroVictor Lopez, Eduardo M. Eisman, Jose M. Zurita

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This paper describes the Multilingual Virtual Simulated Patient framework. It has been created to train the social skills and testing the knowledge of primary health care medical students. The framework generates conversational agents which perform in serveral languages as virtual simulated patients that help to improve the communication and diagnosis skills of the students complementing their training process.

Keywords: Medical training, conversational agents, patient modeling.

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Authors: J. Cecrdle

Abstract:

This paper deals with the whirl flutter of the turboprop aircraft structures. It is focused on the influence of the blade lift span-wise distribution on the whirl flutter stability. Firstly it gives the overall theoretical background of the whirl flutter phenomenon. After that the propeller blade forces solution and the options of the blade lift modeling are described. The problem is demonstrated on the example of a twin turboprop aircraft structure. There are evaluated the influences with respect to the propeller aerodynamic derivatives and finally the influences to the whirl flutter speed and the whirl flutter margin respectively.

Keywords: Aeroelasticity, flutter, propeller blade force, whirl flutter.

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Authors: Hui-jun Ren, Da-kun ZHang

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VRML( The virtual reality modeling language) is a standard language used to build up 3D virtualized models. The quick development of internet technology and computer manipulation has promoted the commercialization of reality virtualization. VRML, thereof, is expected to be the most effective framework of building up virtual reality. This article has studied plans to build virtualized scenes based on the technology of virtual reality and Java programe, and introduced how to execute real-time data transactions of VRML file and Java programe by applying Script Node, in doing so we have the VRML interactivity being strengthened.

Keywords: VRML, Java, Virtual scene, Script.

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Authors: M.Asif, M.R.Arshad, P.A.Wilson

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In this paper, a simple active contour based visual tracking algorithm is presented for outdoor AGV application which is currently under development at the USM robotic research group (URRG) lab. The presented algorithm is computationally low cost and able to track road boundaries in an image sequence and can easily be implemented on available low cost hardware. The proposed algorithm used an active shape modeling using the B-spline deformable template and recursive curve fitting method to track the current orientation of the road.

Keywords: Active contour, B-spline, recursive curve fitting.

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Authors: S. Gupta, R. Chadha

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Five crystal modifications of water insoluble artesunate were generated by recrystallizing it from various solvents with improved physicochemical properties. These generated crystal forms were characterized to select the most potent and soluble form. SEM of all the forms showed changes in external shape leading them to be different morphologically. DSC thermograms of Form III and Form V showed broad endotherm peaks at 83.04oC and 76.96oC prior to melting fusion of drug respectively. Calculated weight loss in TGA revealed that Form III and Form V are methanol and acetone solvates respectively. However, few additional peaks were appeared in XRPD pattern in these two solvate forms. All forms exhibit exothermic behavior in buffer and two solvates display maximum ease of molecular release from the lattice. Methanol and acetone solvates were found to be most soluble forms and exhibited higher antimalarial efficacy showing higher survival rate (83.3%) after 30 days.

Keywords: Artesunate, Crystal modifications, in vivo studies, Recrystallization.

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Authors: J. G. Batista, K. N. Sousa, J. L. Nunes, R. L. S. Sousa, G. A. P. Thé

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This work deals with parameter identification of permanent magnet motors, a class of ac motor which is particularly important in industrial automation due to characteristics like applications high performance, are very attractive for applications with limited space and reducing the need to eliminate because they have reduced size and volume and can operate in a wide speed range, without independent ventilation. By using experimental data and genetic algorithm we have been able to extract values for both the motor inductance and the electromechanical coupling constant, which are then compared to measured and/or expected values.

Keywords: Modeling, AC servomotor, Permanent Magnet Synchronous Motor-PMSM, Genetic Algorithm, Vector Control, Robotic Manipulator, Control.

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Authors: I. Mahdavi, R. Janamiri, A. Sinkakarimi, M. Safdari, M. H. Sedaghat, A. Zamani, A. Hoseini, M. Karimi

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In this work, study the location of interface in a stirred vessel with Rushton impeller by computational fluid dynamic was presented. To modeling rotating the impeller, sliding mesh (SM) technique was used and standard k-ε model was selected for turbulence closure. Mean tangential, radial and axial velocities and also turbulent kinetic energy (k) and turbulent dissipation rate (ε) in various points of tank was investigated. Results show sensitivity of system to location of interface and radius of 7 to 10cm for interface in the vessel with existence characteristics cause to increase the accuracy of simulation.

Keywords: CFD, Interface, Rushton impeller, Turbulence model.

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Authors: S. Woothipatanapan, S. Prakobkit

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This paper presents a model for analysis the induced voltage of transmission lines (energized) acting on neighboring distribution lines (de-energized). From environmental restrictions, 22 kV distribution lines need to be installed under 115 kV transmission lines. With the installation of the two parallel circuits like this, they make the induced voltage which can cause harm to operators. This work was performed with the ATP-EMTP modeling to analyze such phenomenon before field testing. Simulation results are used to find solutions to prevent danger to operators who are on the pole.

Keywords: Transmission system, distribution system, induced voltage, off-line operation.

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Authors: Abhishek Soni, Bhagat Singh

Abstract:

Distal femur fractures are the cause of abnormal gloomy. Several types of surgical treatments have been adopted by the practitioners to restore the fractured region of distal femur. Still within this domain of study, unstable fixation remains a challenge for orthopedists. In the present study, a fixation implant is designed and analyzed under physiological loading conditions for cobalt-chromium-molybdenum alloy (Co-Cr-Mo). It has been found that the stresses and deformation developed are quite low. It means that customized fixation plates will provide stable fixation resulting in improved fracture union.

Keywords: Biomechanical evaluations, customized implant, Co-Cr-Mo alloy, reverse engineering.

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Authors: M. R. Naghavi, S. Rashidi Monfared, A. H. Ahkami, M. A. Ombidbakhsh

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Knowledge of patterns of genetic diversity enhances the efficiency of germplasm conservation and improvement. In this study 96 Iranian landraces of Triticum turgidum originating from different geographical areas of Iran, along with 18 durum cultivars from ten countries were evaluated for variation in morphological and high molecular weight glutenin subunit (HMW-GS) composition. The first two principal components clearly separated the Iranian landraces from cultivars. Three alleles were present at the Glu-A1 locus and 11 alleles at Glu-B1. In both cultivars and landraces of durum wheat, the null allele (Glu-A1c) was observed more frequently than the Glu-A1a and Glu-A1b alleles. Two alleles, namely Glu-B1a (subunit 7) and Glu-B1e (subunit 20) represented the more frequent alleles at Glu-B1 locus. The results showed that the evaluated Iranian landraces formed an interesting source of favourable glutenin subunits that might be very desirable in breeding activities for improving pasta-making quality.

Keywords: Triticum turgidum var. durum, glutenin subunits, morphological characters.

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Authors: George E. Tsekouras, Evi Sampanikou

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We compare three categorical data clustering algorithms with respect to the problem of classifying cultural data related to the aesthetic judgment of comics artists. Such a classification is very important in Comics Art theory since the determination of any classes of similarities in such kind of data will provide to art-historians very fruitful information of Comics Art-s evolution. To establish this, we use a categorical data set and we study it by employing three categorical data clustering algorithms. The performances of these algorithms are compared each other, while interpretations of the clustering results are also given.

Keywords: Aesthetic judgment, comics artists, cluster analysis, categorical data.

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Authors: Darby Tien-Hao Chang, Guan-Yu Shiu, You-Jie Sun

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Various cis-regulatory module (CRM) predictors have been proposed in the last decade. Several well-established CRM predictors adopted different categories of prediction strategies, including window clustering, probabilistic modeling and phylogenetic footprinting. Appropriate integration of them has a potential to achieve high quality CRM prediction. This study analyzed four existing CRM predictors (ClusterBuster, MSCAN, CisModule and MultiModule) to seek a predictor combination that delivers a higher accuracy than individual CRM predictors. 465 CRMs across 140 Drosophila melanogaster genes from the RED fly database were used to evaluate the integrated CRM predictor proposed in this study. The results show that four predictor combinations achieved superior performance than the best individual CRM predictor.

Keywords: Cis-regulatory module, transcription factor binding site.

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Authors: M. Ndaw, G. Mendy, S. Ouya

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Information system risk management helps to reduce or eliminate risk by implementing appropriate controls. In this paper, we propose a quantification model of controls impact on information system risks by automatizing the residual criticality estimation step of FMECA which is based on a inductive reasoning. For this, we defined three equations based on type and maturity of controls. For testing, the values obtained with the model were compared to estimated values given by interlocutors during different working sessions and the result is satisfactory. This model allows an optimal assessment of controls maturity and facilitates risk analysis of information system.

Keywords: Information System, Risk, Control, FMECA.

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Authors: Sin Yin Teh, Abdul Rahman Othman, Michael Boon Chong Khoo

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In this paper, the concepts of dichotomous logistic regression (DLR) with leave-one-out (L-O-O) were discussed. To illustrate this, the L-O-O was run to determine the importance of the simulation conditions for robust test of spread procedures with good Type I error rates. The resultant model was then evaluated. The discussions included 1) assessment of the accuracy of the model, and 2) parameter estimates. These were presented and illustrated by modeling the relationship between the dichotomous dependent variable (Type I error rates) with a set of independent variables (the simulation conditions). The base SAS software containing PROC LOGISTIC and DATA step functions can be making used to do the DLR analysis.

Keywords: Dichotomous logistic regression, leave-one-out, testof spread.

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