Search results for: computational neuroscience
848 Numerical Heat Transfer Performance of Water-Based Graphene Nanoplatelets
Authors: Ahmad Amiri, Hamed K. Arzani, S. N. Kazi, B. T. Chew
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Since graphene nanoplatelet (GNP) is a promising material due to desirable thermal properties, this paper is related to the thermophysical and heat transfer performance of covalently functionalized GNP-based water/ethylene glycol nanofluid through an annular channel. After experimentally measuring thermophysical properties of prepared samples, a computational fluid dynamics study has been carried out to examine the heat transfer and pressure drop of well-dispersed and stabilized nanofluids. The effect of concentration of GNP and Reynolds number at constant wall temperature boundary condition under turbulent flow regime on convective heat transfer coefficient has been investigated. Based on the results, for different Reynolds numbers, the convective heat transfer coefficient of the prepared nanofluid is higher than that of the base fluid. Also, the enhancement of convective heat transfer coefficient and thermal conductivity increase with the increase of GNP concentration in base-fluid. Based on the results of this investigation, there is a significant enhancement on the heat transfer rate associated with loading well-dispersed GNP in base-fluid.Keywords: nanofluid, turbulent flow, forced convection flow, graphene, annular, annulus
Procedia PDF Downloads 357847 A Review on Higher-Order Spline Techniques for Solving Burgers Equation Using B-Spline Methods and Variation of B-Spline Techniques
Authors: Maryam Khazaei Pool, Lori Lewis
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This is a summary of articles based on higher order B-splines methods and the variation of B-spline methods such as Quadratic B-spline Finite Elements Method, Exponential Cubic B-Spline Method, Septic B-spline Technique, Quintic B-spline Galerkin Method, and B-spline Galerkin Method based on the Quadratic B-spline Galerkin method (QBGM) and Cubic B-spline Galerkin method (CBGM). In this paper, we study the B-spline methods and variations of B-spline techniques to find a numerical solution to the Burgers’ equation. A set of fundamental definitions, including Burgers equation, spline functions, and B-spline functions, are provided. For each method, the main technique is discussed as well as the discretization and stability analysis. A summary of the numerical results is provided, and the efficiency of each method presented is discussed. A general conclusion is provided where we look at a comparison between the computational results of all the presented schemes. We describe the effectiveness and advantages of these methods.Keywords: Burgers’ equation, Septic B-spline, modified cubic B-spline differential quadrature method, exponential cubic B-spline technique, B-spline Galerkin method, quintic B-spline Galerkin method
Procedia PDF Downloads 127846 Blind Channel Estimation for Frequency Hopping System Using Subspace Based Method
Authors: M. M. Qasaymeh, M. A. Khodeir
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Subspace channel estimation methods have been studied widely. It depends on subspace decomposition of the covariance matrix to separate signal subspace from noise subspace. The decomposition normally is done by either Eigenvalue Decomposition (EVD) or Singular Value Decomposition (SVD) of the Auto-Correlation matrix (ACM). However, the subspace decomposition process is computationally expensive. In this paper, the multipath channel estimation problem for a Slow Frequency Hopping (SFH) system using noise space based method is considered. An efficient method to estimate multipath the time delays basically is proposed, by applying MUltiple Signal Classification (MUSIC) algorithm which used the null space extracted by the Rank Revealing LU factorization (RRLU). The RRLU provides accurate information about the rank and the numerical null space which make it a valuable tool in numerical linear algebra. The proposed novel method decreases the computational complexity approximately to the half compared with RRQR methods keeping the same performance. Computer simulations are also included to demonstrate the effectiveness of the proposed scheme.Keywords: frequency hopping, channel model, time delay estimation, RRLU, RRQR, MUSIC, LS-ESPRIT
Procedia PDF Downloads 410845 Estimation of Implicit Colebrook White Equation by Preferable Explicit Approximations in the Practical Turbulent Pipe Flow
Authors: Itissam Abuiziah
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In several hydraulic systems, it is necessary to calculate the head losses which depend on the resistance flow friction factor in Darcy equation. Computing the resistance friction is based on implicit Colebrook-White equation which is considered as the standard for the friction calculation, but it needs high computational cost, therefore; several explicit approximation methods are used for solving an implicit equation to overcome this issue. It follows that the relative error is used to determine the most accurate method among the approximated used ones. Steel, cast iron and polyethylene pipe materials investigated with practical diameters ranged from 0.1m to 2.5m and velocities between 0.6m/s to 3m/s. In short, the results obtained show that the suitable method for some cases may not be accurate for other cases. For example, when using steel pipe materials, Zigrang and Silvester's method has revealed as the most precise in terms of low velocities 0.6 m/s to 1.3m/s. Comparatively, Halland method showed a less relative error with the gradual increase in velocity. Accordingly, the simulation results of this study might be employed by the hydraulic engineers, so they can take advantage to decide which is the most applicable method according to their practical pipe system expectations.Keywords: Colebrook–White, explicit equation, friction factor, hydraulic resistance, implicit equation, Reynolds numbers
Procedia PDF Downloads 188844 Privacy Preserving in Association Rule Mining on Horizontally Partitioned Database
Authors: Manvar Sagar, Nikul Virpariya
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The advancement in data mining techniques plays an important role in many applications. In context of privacy and security issues, the problems caused by association rule mining technique are investigated by many research scholars. It is proved that the misuse of this technique may reveal the database owner’s sensitive and private information to others. Many researchers have put their effort to preserve privacy in Association Rule Mining. Amongst the two basic approaches for privacy preserving data mining, viz. Randomization based and Cryptography based, the later provides high level of privacy but incurs higher computational as well as communication overhead. Hence, it is necessary to explore alternative techniques that improve the over-heads. In this work, we propose an efficient, collusion-resistant cryptography based approach for distributed Association Rule mining using Shamir’s secret sharing scheme. As we show from theoretical and practical analysis, our approach is provably secure and require only one time a trusted third party. We use secret sharing for privately sharing the information and code based identification scheme to add support against malicious adversaries.Keywords: Privacy, Privacy Preservation in Data Mining (PPDM), horizontally partitioned database, EMHS, MFI, shamir secret sharing
Procedia PDF Downloads 409843 Machine Learning Approach for Mutation Testing
Authors: Michael Stewart
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Mutation testing is a type of software testing proposed in the 1970s where program statements are deliberately changed to introduce simple errors so that test cases can be validated to determine if they can detect the errors. Test cases are executed against the mutant code to determine if one fails, detects the error and ensures the program is correct. One major issue with this type of testing was it became intensive computationally to generate and test all possible mutations for complex programs. This paper used reinforcement learning and parallel processing within the context of mutation testing for the selection of mutation operators and test cases that reduced the computational cost of testing and improved test suite effectiveness. Experiments were conducted using sample programs to determine how well the reinforcement learning-based algorithm performed with one live mutation, multiple live mutations and no live mutations. The experiments, measured by mutation score, were used to update the algorithm and improved accuracy for predictions. The performance was then evaluated on multiple processor computers. With reinforcement learning, the mutation operators utilized were reduced by 50 – 100%.Keywords: automated-testing, machine learning, mutation testing, parallel processing, reinforcement learning, software engineering, software testing
Procedia PDF Downloads 201842 Scale Effects on the Wake Airflow of a Heavy Truck
Authors: Aude Pérard Lecomte, Georges Fokoua, Amine Mehel, Anne Tanière
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Air quality in urban areas is deteriorated by pollution, mainly due to the constant increase of the traffic of different types of ground vehicles. In particular, particulate matter pollution with important concentrations in urban areas can cause serious health issues. Characterizing and understanding particle dynamics is therefore essential to establish recommendations to improve air quality in urban areas. To analyze the effects of turbulence on particulate pollutants dispersion, the first step is to focus on the single-phase flow structure and turbulence characteristics in the wake of a heavy truck model. To achieve this, Computational Fluid Dynamics (CFD) simulations were conducted with the aim of modeling the wake airflow of a full- and reduced-scale heavy truck. The Reynolds Average Navier-Stokes (RANS) approach with the Reynolds Stress Model (RSM)as the turbulence model closure was used. The simulations highlight the apparition of a large vortex coming from the under trailer. This vortex belongs to the recirculation region, located in the near-wake of the heavy truck. These vortical structures are expected to have a strong influence on particle dynamics that are emitted by the truck.Keywords: CDF, heavy truck, recirculation region, reduced scale
Procedia PDF Downloads 219841 Numerical Study on Parallel Rear-Spoiler on Super Cars
Authors: Anshul Ashu
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Computers are applied to the vehicle aerodynamics in two ways. One of two is Computational Fluid Dynamics (CFD) and other is Computer Aided Flow Visualization (CAFV). Out of two CFD is chosen because it shows the result with computer graphics. The simulation of flow field around the vehicle is one of the important CFD applications. The flow field can be solved numerically using panel methods, k-ε method, and direct simulation methods. The spoiler is the tool in vehicle aerodynamics used to minimize unfavorable aerodynamic effects around the vehicle and the parallel spoiler is set of two spoilers which are designed in such a manner that it could effectively reduce the drag. In this study, the standard k-ε model of the simplified version of Bugatti Veyron, Audi R8 and Porsche 911 are used to simulate the external flow field. Flow simulation is done for variable Reynolds number. The flow simulation consists of three different levels, first over the model without a rear spoiler, second for over model with single rear spoiler, and third over the model with parallel rear-spoiler. The second and third level has following parameter: the shape of the spoiler, the angle of attack and attachment position. A thorough analysis of simulations results has been found. And a new parallel spoiler is designed. It shows a little improvement in vehicle aerodynamics with a decrease in vehicle aerodynamic drag and lift. Hence, it leads to good fuel economy and traction force of the model.Keywords: drag, lift, flow simulation, spoiler
Procedia PDF Downloads 501840 Passport Bros: Exploring Neocolonial Masculinity and Sex Tourism as a Response to Shifting Gender Dynamics
Authors: Kellen Sharp
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This study explores the phenomenon of ‘Passport Bros’, a subset within the manosphere responding to perceived crises in masculinity amidst changing gender dynamics. Focusing on a computational analysis of the passport bro community, the research addresses normative beliefs, deviations from MGTOW ideology, and discussions on nationality, race, and gender. Originating from the MGTOW movement, passport bros engage in a neocolonial approach by seeking traditional, non-Western women, attributing this pursuit to dissatisfaction with modern Western women. The paper examines how hetero pessimism within MGTOW shapes the emergence of passport bros, leading to the adoption of red pill ideologies and ultimately manifesting in the form of sex tourism. Analyzing data collected from passport bro forums through computer-assisted content analysis, the study identifies key discourses such as questions and answers, money, attitudes towards Western and traditional women, and discussions about the movement itself. The findings highlight the nuanced intersection of gender, race, and global power dynamics within the passport bro community, shedding light on their motivations and impact on neocolonial legacies.Keywords: toxic online community, manosphere, gender and media, neocolonialism
Procedia PDF Downloads 78839 CFD-DEM Modelling and Analysis of the Continuous Separation of Sized Particles Using Inertial Microfluidics
Authors: Hui Zhu, Yuan Wang, Shibo Kuang, Aibing Yu
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The inertial difference induced by the microfluidics inside a curved micro-channel has great potential to provide a fast, inexpensive, and portable solution to the separation of micro- and sub-micro particles in many applications such as aerosol collections, airborne bacteria and virus detections, as well as particle sortation. In this work, the separation behaviors of different sized particles inside a reported curved micro-channel have been studied by a combined approach of computational fluid dynamics for gas and discrete element model for particles (CFD-DEM). The micro-channel is operated by controlling the gas flow rates at all of its branches respectively used to load particles, introduce gas streams, collect particles of various sizes. The validity of the model has been examined by comparing by the calculated separation efficiency of different sized particles against the measurement. On this basis, the separation mechanisms of the inertial microfluidic separator are elucidated in terms of the interactions between particles, between particle and fluid, and between particle and wall. The model is then used to study the effect of feed solids concentration on the separation accuracy and efficiency. The results obtained from the present study demonstrate that the CFD-DEM approach can provide a convenient way to study the particle separation behaviors in micro-channels of various types.Keywords: CFD-DEM, inertial effect, microchannel, separation
Procedia PDF Downloads 292838 Flow Analysis of Viscous Nanofluid Due to Rotating Rigid Disk with Navier’s Slip: A Numerical Study
Authors: Khalil Ur Rehman, M. Y. Malik, Usman Ali
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In this paper, the problem proposed by Von Karman is treated in the attendance of additional flow field effects when the liquid is spaced above the rotating rigid disk. To be more specific, a purely viscous fluid flow yield by rotating rigid disk with Navier’s condition is considered in both magnetohydrodynamic and hydrodynamic frames. The rotating flow regime is manifested with heat source/sink and chemically reactive species. Moreover, the features of thermophoresis and Brownian motion are reported by considering nanofluid model. The flow field formulation is obtained mathematically in terms of high order differential equations. The reduced system of equations is solved numerically through self-coded computational algorithm. The pertinent outcomes are discussed systematically and provided through graphical and tabular practices. A simultaneous way of study makes this attempt attractive in this sense that the article contains dual framework and validation of results with existing work confirms the execution of self-coded algorithm for fluid flow regime over a rotating rigid disk.Keywords: Navier’s condition, Newtonian fluid model, chemical reaction, heat source/sink
Procedia PDF Downloads 172837 The Algorithm of Semi-Automatic Thai Spoonerism Words for Bi-Syllable
Authors: Nutthapat Kaewrattanapat, Wannarat Bunchongkien
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The purposes of this research are to study and develop the algorithm of Thai spoonerism words by semi-automatic computer programs, that is to say, in part of data input, syllables are already separated and in part of spoonerism, the developed algorithm is utilized, which can establish rules and mechanisms in Thai spoonerism words for bi-syllables by utilizing analysis in elements of the syllables, namely cluster consonant, vowel, intonation mark and final consonant. From the study, it is found that bi-syllable Thai spoonerism has 1 case of spoonerism mechanism, namely transposition in value of vowel, intonation mark and consonant of both 2 syllables but keeping consonant value and cluster word (if any). From the study, the rules and mechanisms in Thai spoonerism word were applied to develop as Thai spoonerism word software, utilizing PHP program. the software was brought to conduct a performance test on software execution; it is found that the program performs bi-syllable Thai spoonerism correctly or 99% of all words used in the test and found faults on the program at 1% as the words obtained from spoonerism may not be spelling in conformity with Thai grammar and the answer in Thai spoonerism could be more than 1 answer.Keywords: algorithm, spoonerism, computational linguistics, Thai spoonerism
Procedia PDF Downloads 237836 Sustainability in the Purchase of Airline Tickets: Analysis of Digital Communication from the Perspective of Neuroscience
Authors: Rodríguez Sánchez Carla, Sancho-Esper Franco, Guillen-Davo Marina
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Tourism is one of the most important sectors worldwide since it is an important economic engine for today's society. It is also one of the sectors that most negatively affect the environment in terms of CO₂ emissions due to this expansion. In light of this, airlines are developing Voluntary Carbon Offset (VCO). There is important evidence focused on analyzing the features of these VCO programs and their efficacy in reducing CO₂ emissions, and findings are mixed without a clear consensus. Different research approaches have centered on analyzing factors and consequences of VCO programs, such as economic modelling based on panel data, survey research based on traveler responses or experimental research analyzing customer decisions in a simulated context. This study belongs to the latter group because it tries to understand how different characteristics of an online ticket purchase website affect the willingness of a traveler to choose a sustainable one. The proposed behavioral model is based on several theories, such as the nudge theory, the dual processing ELM and the cognitive dissonance theory. This randomized experiment aims at overcoming previous studies based on self-reported measures that mainly study sustainable behavioral intention rather than actual decision-making. It also complements traditional self-reported independent variables by gathering objective information from an eye-tracking device. This experiment analyzes the influence of two characteristics of the online purchase website: i) the type of information regarding flight CO₂ emissions (quantitative vs. qualitative) and the comparison framework related to the sustainable purchase decision (negative: alternative with more emissions than the average flight of the route vs. positive: alternative with less emissions than the average flight of the route), therefore it is a 2x2 experiment with four alternative scenarios. A pretest was run before the actual experiment to refine the experiment features and to check the manipulations. Afterward, a different sample of students answered the pre-test questionnaire aimed at recruiting the cases and measuring several pre-stimulus measures. One week later, students came to the neurolab at the University setting to be part of the experiment, made their decision regarding online purchases and answered the post-test survey. A final sample of 21 students was gathered. The committee of ethics of the institution approved the experiment. The results show that qualitative information generates more sustainable decisions (less contaminant alternative) than quantitative information. Moreover, evidence shows that subjects are more willing to choose the sustainable decision to be more ecological (comparison of the average with the less contaminant alternative) rather than to be less contaminant (comparison of the average with the more contaminant alternative). There are also interesting differences in the information processing variables from the eye tracker. Both the total time to make the choice and the specific times by area of interest (AOI) differ depending on the assigned scenario. These results allow for a better understanding of the factors that condition the decision of a traveler to be part of a VCO program and provide useful information for airline managers to promote these programs to reduce environmental impact.Keywords: voluntary carbon offset, airline, online purchase, carbon emission, sustainability, randomized experiment
Procedia PDF Downloads 74835 Auto Rickshaw Impacts with Pedestrians: A Computational Analysis of Post-Collision Kinematics and Injury Mechanics
Authors: A. J. Al-Graitti, G. A. Khalid, P. Berthelson, A. Mason-Jones, R. Prabhu, M. D. Jones
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Motor vehicle related pedestrian road traffic collisions are a major road safety challenge, since they are a leading cause of death and serious injury worldwide, contributing to a third of the global disease burden. The auto rickshaw, which is a common form of urban transport in many developing countries, plays a major transport role, both as a vehicle for hire and for private use. The most common auto rickshaws are quite unlike ‘typical’ four-wheel motor vehicle, being typically characterised by three wheels, a non-tilting sheet-metal body or open frame construction, a canvas roof and side curtains, a small drivers’ cabin, handlebar controls and a passenger space at the rear. Given the propensity, in developing countries, for auto rickshaws to be used in mixed cityscapes, where pedestrians and vehicles share the roadway, the potential for auto rickshaw impacts with pedestrians is relatively high. Whilst auto rickshaws are used in some Western countries, their limited number and spatial separation from pedestrian walkways, as a result of city planning, has not resulted in significant accident statistics. Thus, auto rickshaws have not been subject to the vehicle impact related pedestrian crash kinematic analyses and/or injury mechanics assessment, typically associated with motor vehicle development in Western Europe, North America and Japan. This study presents a parametric analysis of auto rickshaw related pedestrian impacts by computational simulation, using a Finite Element model of an auto rickshaw and an LS-DYNA 50th percentile male Hybrid III Anthropometric Test Device (dummy). Parametric variables include auto rickshaw impact velocity, auto rickshaw impact region (front, centre or offset) and relative pedestrian impact position (front, side and rear). The output data of each impact simulation was correlated against reported injury metrics, Head Injury Criterion (front, side and rear), Neck injury Criterion (front, side and rear), Abbreviated Injury Scale and reported risk level and adds greater understanding to the issue of auto rickshaw related pedestrian injury risk. The parametric analyses suggest that pedestrians are subject to a relatively high risk of injury during impacts with an auto rickshaw at velocities of 20 km/h or greater, which during some of the impact simulations may even risk fatalities. The present study provides valuable evidence for informing a series of recommendations and guidelines for making the auto rickshaw safer during collisions with pedestrians. Whilst it is acknowledged that the present research findings are based in the field of safety engineering and may over represent injury risk, compared to “Real World” accidents, many of the simulated interactions produced injury response values significantly greater than current threshold curves and thus, justify their inclusion in the study. To reduce the injury risk level and increase the safety of the auto rickshaw, there should be a reduction in the velocity of the auto rickshaw and, or, consideration of engineering solutions, such as retro fitting injury mitigation technologies to those auto rickshaw contact regions which are the subject of the greatest risk of producing pedestrian injury.Keywords: auto rickshaw, finite element analysis, injury risk level, LS-DYNA, pedestrian impact
Procedia PDF Downloads 194834 Clustering of Association Rules of ISIS & Al-Qaeda Based on Similarity Measures
Authors: Tamanna Goyal, Divya Bansal, Sanjeev Sofat
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In world-threatening terrorist attacks, where early detection, distinction, and prediction are effective diagnosis techniques and for functionally accurate and precise analysis of terrorism data, there are so many data mining & statistical approaches to assure accuracy. The computational extraction of derived patterns is a non-trivial task which comprises specific domain discovery by means of sophisticated algorithm design and analysis. This paper proposes an approach for similarity extraction by obtaining the useful attributes from the available datasets of terrorist attacks and then applying feature selection technique based on the statistical impurity measures followed by clustering techniques on the basis of similarity measures. On the basis of degree of participation of attributes in the rules, the associative dependencies between the attacks are analyzed. Consequently, to compute the similarity among the discovered rules, we applied a weighted similarity measure. Finally, the rules are grouped by applying using hierarchical clustering. We have applied it to an open source dataset to determine the usability and efficiency of our technique, and a literature search is also accomplished to support the efficiency and accuracy of our results.Keywords: association rules, clustering, similarity measure, statistical approaches
Procedia PDF Downloads 321833 MITOS-RCNN: Mitotic Figure Detection in Breast Cancer Histopathology Images Using Region Based Convolutional Neural Networks
Authors: Siddhant Rao
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Studies estimate that there will be 266,120 new cases of invasive breast cancer and 40,920 breast cancer induced deaths in the year of 2018 alone. Despite the pervasiveness of this affliction, the current process to obtain an accurate breast cancer prognosis is tedious and time consuming. It usually requires a trained pathologist to manually examine histopathological images and identify the features that characterize various cancer severity levels. We propose MITOS-RCNN: a region based convolutional neural network (RCNN) geared for small object detection to accurately grade one of the three factors that characterize tumor belligerence described by the Nottingham Grading System: mitotic count. Other computational approaches to mitotic figure counting and detection do not demonstrate ample recall or precision to be clinically viable. Our models outperformed all previous participants in the ICPR 2012 challenge, the AMIDA 2013 challenge and the MITOS-ATYPIA-14 challenge along with recently published works. Our model achieved an F- measure score of 0.955, a 6.11% improvement in accuracy from the most accurate of the previously proposed models.Keywords: breast cancer, mitotic count, machine learning, convolutional neural networks
Procedia PDF Downloads 224832 Insights of Interaction Studies between HSP-60, HSP-70 Proteins and HSF-1 in Bubalus bubalis
Authors: Ravinder Singh, C Rajesh, Saroj Badhan, Shailendra Mishra, Ranjit Singh Kataria
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Heat shock protein 60 and 70 are crucial chaperones that guide appropriate folding of denatured proteins under heat stress conditions. HSP60 and HSP70 provide assistance in correct folding of a multitude of denatured proteins. The heat shock factors are the family of some transcription factors which controls the regulation of gene expression of proteins involved in folding of damaged or improper folded proteins during stress conditions. Under normal condition heat shock proteins bind with HSF-1 and act as its repressor as well as aids in maintaining the HSF-1’s nonactive and monomeric confirmation. The experimental protein structure for all these proteins in Bubalus bubalis is not known till date. Therefore computational approach was explored to identify three-dimensional structure analysis of all these proteins. In this study, an extensive in silico analysis has been performed including sequence comparison among species to comparative modeling of Bubalus bubalis HSP60, HSP70 and HSF-1 protein. The stereochemical properties of proteins were assessed by utilizing several scrutiny bioinformatics tools to ensure model accuracy. Further docking approach was used to study interactions between Heat shock proteins and HSF-1.Keywords: Bubalus bubalis, comparative modelling, docking, heat shock protein
Procedia PDF Downloads 323831 Algorithms Minimizing Total Tardiness
Authors: Harun Aydilek, Asiye Aydilek, Ali Allahverdi
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The total tardiness is a widely used performance measure in the scheduling literature. This performance measure is particularly important in situations where there is a cost to complete a job beyond its due date. The cost of scheduling increases as the gap between a job's due date and its completion time increases. Such costs may also be penalty costs in contracts, loss of goodwill. This performance measure is important as the fulfillment of due dates of customers has to be taken into account while making scheduling decisions. The problem is addressed in the literature, however, it has been assumed zero setup times. Even though this assumption may be valid for some environments, it is not valid for some other scheduling environments. When setup times are treated as separate from processing times, it is possible to increase machine utilization and to reduce total tardiness. Therefore, non-zero setup times need to be considered as separate. A dominance relation is developed and several algorithms are proposed. The developed dominance relation is utilized in the proposed algorithms. Extensive computational experiments are conducted for the evaluation of the algorithms. The experiments indicated that the developed algorithms perform much better than the existing algorithms in the literature. More specifically, one of the newly proposed algorithms reduces the error of the best existing algorithm in the literature by 40 percent.Keywords: algorithm, assembly flowshop, dominance relation, total tardiness
Procedia PDF Downloads 355830 In-silico Analysis of Plumbagin against Cancer Receptors
Authors: Arpita Roy, Navneeta Bharadvaja
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Cancer is an uncontrolled growth of abnormal cells in the body. It is one of the most serious diseases on which extensive research work has been going on all over the world. Structure-based drug designing is a computational approach which helps in the identification of potential leads that can be used for the development of a drug. Plumbagin is a naphthoquinone derivative from Plumbago zeylanica roots and belongs to one of the largest and diverse groups of plant metabolites. Anticancer and antiproliferative activities of plumbagin have been observed in animal models as well as in cell cultures. Plumbagin shows inhibitory effects on multiple cancer-signaling proteins; however, the binding mode and the molecular interactions have not yet been elucidated for most of these protein targets. In this investigation, an attempt to provide structural insights into the binding mode of plumbagin against four cancer receptors using molecular docking was performed. Plumbagin showed minimal energy against targeted cancer receptors, therefore suggested its stability and potential towards different cancers. The least binding energies of plumbagin with COX-2, TACE, and CDK6 are -5.39, -4.93, -and 4.81 kcal/mol, respectively. Comparison studies of plumbagin with different receptors showed that it is a promising compound for cancer treatment. It was also found that plumbagin obeys the Lipinski’s Rule of 5 and computed ADMET properties which showed drug likeliness and improved bioavailability. Since plumbagin is from a natural source, it has reduced side effects, and these results would be useful for cancer treatment.Keywords: cancer, receptor, plumbagin, docking
Procedia PDF Downloads 144829 Atmospheric Oxidation of Carbonyls: Insight to Mechanism, Kinetic and Thermodynamic Parameters
Authors: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo
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Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.Keywords: atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic
Procedia PDF Downloads 53828 Effect of Piston and its Weight on the Performance of a Gun Tunnel via Computational Fluid Dynamics
Authors: A. A. Ahmadi, A. R. Pishevar, M. Nili
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As the test gas in a gun tunnel is non-isentropically compressed and heated by a light weight piston. Here, first consideration is the optimum piston weight. Although various aspects of the influence of piston weight on gun tunnel performance have been studied, it is not possible to decide from the existing literature what piston weight is required for optimum performance in various conditions. The technique whereby the piston is rapidly brought to rest at the end of the gun tunnel barrel, and the resulted peak pressure is equal in magnitude to the final equilibrium pressure, is called the equilibrium piston technique. The equilibrium piston technique was developed to estimate the equilibrium piston mass; but this technique cannot give an appropriate estimate for the optimum piston weight. In the present work, a gun tunnel with diameter of 3 in. is described and its performance is investigated numerically to obtain the effect of piston and its weight. Numerical results in the present work are in very good agreement with experimental results. Significant influence of the existence of a piston is shown by comparing the gun tunnel results with results of a conventional shock tunnel in the same dimension and same initial condition. In gun tunnel, an increase of around 250% in running time is gained relative to shock tunnel. Also, Numerical results show that equilibrium piston technique is not a good way to estimate suitable piston weight and there will be a lighter piston which can increase running time of the gun tunnel around 60%.Keywords: gun tunnel, hypersonic flow, piston, shock tunnel
Procedia PDF Downloads 373827 Optimal Design of 3-Way Reversing Valve Considering Cavitation Effect
Authors: Myeong-Gon Lee, Yang-Gyun Kim, Tae-Young Kim, Seung-Ho Han
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The high-pressure valve uses one set of 2-way valves for the purpose of reversing fluid direction. If there is no accurate control device for the 2-way valves, lots of surging can be generated. The surging is a kind of pressure ripple that occurs in rapid changes of fluid motions under inaccurate valve control. To reduce the surging effect, a 3-way reversing valve can be applied which provides a rapid and precise change of water flow directions without any accurate valve control system. However, a cavitation occurs due to a complicated internal trim shape of the 3-way reversing valve. The cavitation causes not only noise and vibration but also decreasing the efficiency of valve-operation, in which the bubbles generated below the saturated vapor pressure are collapsed rapidly at higher pressure zone. The shape optimization of the 3-way reversing valve to minimize the cavitation effect is necessary. In this study, the cavitation index according to the international standard ISA was introduced to estimate macroscopically the occurrence of the cavitation effect. Computational fluid dynamic analysis was carried out, and the cavitation effect was quantified by means of the percent of cavitation converted from calculated results of vapor volume fraction. In addition, the shape optimization of the 3-way reversing valve was performed by taking into account of the percent of cavitation.Keywords: 3-Way reversing valve, cavitation, shape optimization, vapor volume fraction
Procedia PDF Downloads 372826 Analog Input Output Buffer Information Specification Modelling Techniques for Single Ended Inter-Integrated Circuit and Differential Low Voltage Differential Signaling I/O Interfaces
Authors: Monika Rawat, Rahul Kumar
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Input output Buffer Information Specification (IBIS) models are used for describing the analog behavior of the Input Output (I/O) buffers of a digital device. They are widely used to perform signal integrity analysis. Advantages of using IBIS models include simple structure, IP protection and fast simulation time with reasonable accuracy. As design complexity of driver and receiver increases, capturing exact behavior from transistor level model into IBIS model becomes an essential task to achieve better accuracy. In this paper, an improvement in existing methodology of generating IBIS model for complex I/O interfaces such as Inter-Integrated Circuit (I2C) and Low Voltage Differential Signaling (LVDS) is proposed. Furthermore, the accuracy and computational performance of standard method and proposed approach with respect to SPICE are presented. The investigations will be useful to further improve the accuracy of IBIS models and to enhance their wider acceptance.Keywords: IBIS, signal integrity, open-drain buffer, low voltage differential signaling, behavior modelling, transient simulation
Procedia PDF Downloads 197825 Support Vector Machine Based Retinal Therapeutic for Glaucoma Using Machine Learning Algorithm
Authors: P. S. Jagadeesh Kumar, Mingmin Pan, Yang Yung, Tracy Lin Huan
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Glaucoma is a group of visual maladies represented by the scheduled optic nerve neuropathy; means to the increasing dwindling in vision ground, resulting in loss of sight. In this paper, a novel support vector machine based retinal therapeutic for glaucoma using machine learning algorithm is conservative. The algorithm has fitting pragmatism; subsequently sustained on correlation clustering mode, it visualizes perfect computations in the multi-dimensional space. Support vector clustering turns out to be comparable to the scale-space advance that investigates the cluster organization by means of a kernel density estimation of the likelihood distribution, where cluster midpoints are idiosyncratic by the neighborhood maxima of the concreteness. The predicted planning has 91% attainment rate on data set deterrent on a consolidation of 500 realistic images of resolute and glaucoma retina; therefore, the computational benefit of depending on the cluster overlapping system pedestal on machine learning algorithm has complete performance in glaucoma therapeutic.Keywords: machine learning algorithm, correlation clustering mode, cluster overlapping system, glaucoma, kernel density estimation, retinal therapeutic
Procedia PDF Downloads 255824 Evaluation of a Hybrid Knowledge-Based System Using Fuzzy Approach
Authors: Kamalendu Pal
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This paper describes the main features of a knowledge-based system evaluation method. System evaluation is placed in the context of a hybrid legal decision-support system, Advisory Support for Home Settlement in Divorce (ASHSD). Legal knowledge for ASHSD is represented in two forms, as rules and previously decided cases. Besides distinguishing the two different forms of knowledge representation, the paper outlines the actual use of these forms in a computational framework that is designed to generate a plausible solution for a given case, by using rule-based reasoning (RBR) and case-based reasoning (CBR) in an integrated environment. The nature of suitability assessment of a solution has been considered as a multiple criteria decision making process in ASHAD evaluation. The evaluation was performed by a combination of discussions and questionnaires with different user groups. The answers to questionnaires used in this evaluations method have been measured as a combination of linguistic variables, fuzzy numbers, and by using defuzzification process. The results show that the designed evaluation method creates suitable mechanism in order to improve the performance of the knowledge-based system.Keywords: case-based reasoning, fuzzy number, legal decision-support system, linguistic variable, rule-based reasoning, system evaluation
Procedia PDF Downloads 367823 Spatial Organization of Organelles in Living Cells: Insights from Mathematical Modelling
Authors: Congping Lin
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Intracellular transport in fungi has a number of important roles in, e.g., filamentous fungal growth and cellular metabolism. Two basic mechanisms for intracellular transport are motor-driven trafficking along microtubules (MTs) and diffusion. Mathematical modelling has been actively developed to understand such intracellular transport and provide unique insight into cellular complexity. Based on live-cell imaging data in Ustilago hyphal cells, probabilistic models have been developed to study mechanism underlying spatial organization of molecular motors and organelles. In particular, anther mechanism - stochastic motility of dynein motors along MTs has been found to contribute to half of its accumulation at hyphal tip in order to support early endosome (EE) recycling. The EE trafficking not only facilitates the directed motion of peroxisomes but also enhances their diffusive motion. Considering the importance of spatial organization of early endosomes in supporting peroxisome movement, computational and experimental approaches have been combined to a whole-cell level. Results from this interdisciplinary study promise insights into requirements for other membrane trafficking systems (e.g., in neurons), but also may inform future 'synthetic biology' studies.Keywords: intracellular transport, stochastic process, molecular motors, spatial organization
Procedia PDF Downloads 135822 Exploring the 1,3-Dipolar Cycloaddition Reaction between Nitrilimine and 6-Methyl-4,5-dihydropyridazin-3(2h)-one through MEDT and Molecular Docking Analysis
Authors: Zineb Ouahdi
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Spirocyclic compound derivatives, with their unique heterocyclic motifs, serve as a continual source of inspiration in the pursuit of developing potential therapeutic agents. These compounds are diverse in their chemical structures; some have fully saturated skeletons, while others are partially unsaturated. Nevertheless, these compounds share a characteristic feature with natural products - the presence of at least one heteroatom in one of their rings. The inclusion of a C = O dipolarophile in pyridazinones imparts an exciting aspect for 1,3-dipolar cycloaddition reactions, the focal point of our study. Our research has involved a detailed theoretical investigation of the reaction between ethyl (Z)-2-bromo-2-(2-(p-tolyl)hydrazono)acetate and 6-methyl-4,5-dihydropyridazine-3(2H)-one. This has been accomplished using the DFT/B3LYP/6-31g(d,p) method, intending to illuminate the chemical pathway of this reaction. The chemical reactivity theories we used for this purpose included FMO, TS, and local and global indices derived from conceptual DFT. The theoretical framework outlined in this study allowed us to propose a reaction mechanism for cycloaddition reactions. It also enabled the identification of the potential activities of the analyzed compounds (P1, P2, P3, P4, P5, and P6) against the major protease of the coronavirus disease (COVID-19). This was achieved using various computational tools, including AutoDock Tools, Autodock Vina, Autodock 4, and PYRX.Keywords: MEDT, pyridazin, cycloaddition, FMO, DFT, docking
Procedia PDF Downloads 103821 HcDD: The Hybrid Combination of Disk Drives in Active Storage Systems
Authors: Shu Yin, Zhiyang Ding, Jianzhong Huang, Xiaojun Ruan, Xiaomin Zhu, Xiao Qin
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Since large-scale and data-intensive applications have been widely deployed, there is a growing demand for high-performance storage systems to support data-intensive applications. Compared with traditional storage systems, next-generation systems will embrace dedicated processor to reduce computational load of host machines and will have hybrid combinations of different storage devices. The advent of flash- memory-based solid state disk has become a critical role in revolutionizing the storage world. However, instead of simply replacing the traditional magnetic hard disk with the solid state disk, it is believed that finding a complementary approach to corporate both of them is more challenging and attractive. This paper explores an idea of active storage, an emerging new storage configuration, in terms of the architecture and design, the parallel processing capability, the cooperation of other machines in cluster computing environment, and a disk configuration, the hybrid combination of different types of disk drives. Experimental results indicate that the proposed HcDD achieves better I/O performance and longer storage system lifespan.Keywords: arallel storage system, hybrid storage system, data inten- sive, solid state disks, reliability
Procedia PDF Downloads 450820 Automatic Tagging and Accuracy in Assamese Text Data
Authors: Chayanika Hazarika Bordoloi
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This paper is an attempt to work on a highly inflectional language called Assamese. This is also one of the national languages of India and very little has been achieved in terms of computational research. Building a language processing tool for a natural language is not very smooth as the standard and language representation change at various levels. This paper presents inflectional suffixes of Assamese verbs and how the statistical tools, along with linguistic features, can improve the tagging accuracy. Conditional random fields (CRF tool) was used to automatically tag and train the text data; however, accuracy was improved after linguistic featured were fed into the training data. Assamese is a highly inflectional language; hence, it is challenging to standardizing its morphology. Inflectional suffixes are used as a feature of the text data. In order to analyze the inflections of Assamese word forms, a list of suffixes is prepared. This list comprises suffixes, comprising of all possible suffixes that various categories can take is prepared. Assamese words can be classified into inflected classes (noun, pronoun, adjective and verb) and un-inflected classes (adverb and particle). The corpus used for this morphological analysis has huge tokens. The corpus is a mixed corpus and it has given satisfactory accuracy. The accuracy rate of the tagger has gradually improved with the modified training data.Keywords: CRF, morphology, tagging, tagset
Procedia PDF Downloads 195819 A Computational Fluid Dynamics Study of Turbulence Flow and Parameterization of an Aerofoil
Authors: Mohamed Z. M. Duwahir, Shian Gao
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The main objective of this project was to introduce and test a new scheme for parameterization of subsonic aerofoil, using a function called Shape Function. Python programming was used to create a user interactive environment for geometry generation of aerofoil using NACA and Shape Function methodologies. Two aerofoils, NACA 0012 and NACA 1412, were generated using this function. Testing the accuracy of the Shape Function scheme was done by Linear Square Fitting using Python and CFD modelling the aerofoil in Fluent. NACA 0012 (symmetrical aerofoil) was better approximated using Shape Function than NACA 1412 (cambered aerofoil). The second part of the project involved comparing two turbulent models, k-ε and Spalart-Allmaras (SA), in Fluent by modelling the aerofoils NACA 0012 and NACA 1412 in conditions of Reynolds number of 3 × 106. It was shown that SA modelling is better for aerodynamic purpose. The experimental coefficient of lift (Cl) and coefficient of drag (Cd) were compared with empirical wind tunnel data for a range of angle of attack (AOA). As a further step, this project involved drawing and meshing 3D wings in Gambit. The 3D wing flow was solved and compared with 2D aerofoil section experimental results and wind tunnel data.Keywords: CFD simulation, shape function, turbulent modelling, aerofoil
Procedia PDF Downloads 358