Search results for: computational linguistics
2024 Bio-Guided of Active New Alkaloids from Alstonia Brassi Toxicity Antitumour Activity in Silico and Molecular Modeling
Authors: Mesbah Khaled, Bouraoui Ouissal, Benkiniouar Rachid, Belkhiri Lotfi
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Alstonia, which are tropical plants with a wide geographical distribution, have been divided into different sections by different authors based on previous studies of several species within the genus. Monachino divides Alstonia into 5 sections, while Pichon divides it into 3 sections. Several plants belonging to this genus, such as Alstonia brassii, have been used in traditional folk medicine to treat ailments such as fever, malaria and dysentery]. Previous studies focusing on the chemical composition of these plants have successfully identified indol alkaloids with cytotoxic, anti-diabetic and anti-inflammatory properties. The newly discovered monomers are structurally similar to the backbones of picralin, affinisin and macrolin. On the other hand, all recently isolated dimeric compounds have a macrolin moiety. In this study, a computational analysis was performed on a series of novel molecules, including both monomeric and dimeric compounds with different structural frameworks. This investigation represents the first computational study of these molecules using an in silico approach incorporating 2D-QSAR data. The analysis involved various computational techniques, including 2D-QSAR modelling, molecular docking studies and subsequent validation by molecular dynamics simulation and assessment of ADMET properties. The chemical composition was identified by 1D and 2D NMR. Eight new alkaloids were isolated, 5 monomers and 3 dimers. In this section, we focus on the biological activity of 4 new alkaloids belonging to two different skeletons, the affinisine skeleton.Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids
Procedia PDF Downloads 3522023 Assessment of Fluid Flow Hydrodynamics for Cylindrical and Conical Fluidized Bed Reactor
Authors: N. G. Thangan, A. B. Deoghare, P. M. Padole
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Computational Fluid Dynamics (CFD) aids in modeling the prototype of a real world processes. CFD approach is useful in predicting the fluid flow, heat transfer mass transfer and other flow related phenomenon. In present study, hydrodynamic characteristics of gas-solid cylindrical fluidized bed is compared with conical fluidized beds. A 2D fluidized bed consists of different configurations of particle size of iron oxide, bed height and superficial velocities of nitrogen. Simulations are performed to capture the complex physics associated with it. The Eulerian multiphase model is prepared in ANSYS FLUENT v.14 which is used to simulate fluidization process. It is analyzed with nitrogen as primary phase and iron oxide as secondary phase. The bed hydrodynamics is assessed prominently to examine effect on fluidization time, pressure drop, minimum fluidization velocity, and gas holdup in the system.Keywords: fluidized bed, bed hydrodynamics, Eulerian multiphase approach, computational fluid dynamics
Procedia PDF Downloads 4522022 Utilizing Grid Computing to Enhance Power Systems Performance
Authors: Rafid A. Al-Khannak, Fawzi M. Al-Naima
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Power load is one of the most important controlling keys which decide power demands and illustrate power usage to shape power market. Hence, power load forecasting is the parameter which facilitates understanding and analyzing all these aspects. In this paper, power load forecasting is solved under MATLAB environment by constructing a neural network for the power load to find an accurate simulated solution with the minimum error. A developed algorithm to achieve load forecasting application with faster technique is the aim for this paper. The algorithm is used to enable MATLAB power application to be implemented by multi machines in the Grid computing system, and to accomplish it within much less time, cost and with high accuracy and quality. Grid Computing, the modern computational distributing technology, has been used to enhance the performance of power applications by utilizing idle and desired Grid contributor(s) by sharing computational power resources.Keywords: DeskGrid, Grid Server, idle contributor(s), grid computing, load forecasting
Procedia PDF Downloads 4752021 Computational Investigation of V599 Mutations of BRAF Protein and Its Control over the Therapeutic Outcome under the Malignant Condition
Authors: Mayank, Navneet Kaur, Narinder Singh
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The V599 mutations in the BRAF protein are extremely oncogenic, responsible for countless of malignant conditions. Along with wild type, V599E, V599D, and V599R are the important mutated variants of the BRAF proteins. The BRAF inhibitory anticancer agents are continuously developing, and sorafenib is a BRAF inhibitor that is under clinical use. The crystal structure of sorafenib bounded to wild type, and V599 is known, showing a similar interaction pattern in both the case. The mutated 599th residue, in both the case, is also found not interacting directly with the co-crystallized sorafenib molecule. However, the IC50 value of sorafenib was found extremely different in both the case, i.e., 22 nmol/L for wild and 38 nmol/L for V599E protein. Molecular docking study and MMGBSA binding energy results also revealed a significant difference in the binding pattern of sorafenib in both the case. Therefore, to explore the role of distinctively situated 599th residue, we have further conducted comprehensive computational studies. The molecular dynamics simulation, residue interaction network (RIN) analysis, and residue correlation study results revealed the importance of the 599th residue on the therapeutic outcome and overall dynamic of the BRAF protein. Therefore, although the position of 599th residue is very much distinctive from the ligand-binding cavity of BRAF, still it has exceptional control over the overall functional outcome of the protein. The insight obtained here may seem extremely important and guide us while designing ideal BRAF inhibitory anticancer molecules.Keywords: BRAF, oncogenic, sorafenib, computational studies
Procedia PDF Downloads 1152020 Computational Fluid Dynamics Modeling of Liquefaction of Wood and It's Model Components Using a Modified Multistage Shrinking-Core Model
Authors: K. G. R. M. Jayathilake, S. Rudra
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Wood degradation in hot compressed water is modeled with a Computational Fluid Dynamics (CFD) code using cellulose, xylan, and lignin as model compounds. Model compounds are reacted under catalyst-free conditions in a temperature range from 250 to 370 °C. Using a simplified reaction scheme where water soluble products, methanol soluble products, char like compounds and gas are generated through intermediates with each model compound. A modified multistage shrinking core model is developed to simulate particle degradation. In the modified shrinking core model, each model compound is hydrolyzed in separate stages. Cellulose is decomposed to glucose/oligomers before producing degradation products. Xylan is decomposed through xylose and then to degradation products where lignin is decomposed into soluble products before producing the total guaiacol, organic carbon (TOC) and then char and gas. Hydrolysis of each model compound is used as the main reaction of the process. Diffusion of water monomers to the particle surface to initiate hydrolysis and dissolution of the products in water is given importance during the modeling process. In the developed model the temperature variation depends on the Arrhenius relationship. Kinetic parameters from the literature are used for the mathematical model. Meanwhile, limited initial fast reaction kinetic data limit the development of more accurate CFD models. Liquefaction results of the CFD model are analyzed and validated using the experimental data available in the literature where it shows reasonable agreement.Keywords: computational fluid dynamics, liquefaction, shrinking-core, wood
Procedia PDF Downloads 1252019 Optimizing Quantum Machine Learning with Amplitude and Phase Encoding Techniques
Authors: Om Viroje
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Quantum machine learning represents a frontier in computational technology, promising significant advancements in data processing capabilities. This study explores the significance of data encoding techniques, specifically amplitude and phase encoding, in this emerging field. By employing a comparative analysis methodology, the research evaluates how these encoding techniques affect the accuracy, efficiency, and noise resilience of quantum algorithms. Our findings reveal that amplitude encoding enhances algorithmic accuracy and noise tolerance, whereas phase encoding significantly boosts computational efficiency. These insights are crucial for developing robust quantum frameworks that can be effectively applied in real-world scenarios. In conclusion, optimizing encoding strategies is essential for advancing quantum machine learning, potentially transforming various industries through improved data processing and analysis.Keywords: quantum machine learning, data encoding, amplitude encoding, phase encoding, noise resilience
Procedia PDF Downloads 132018 Aerodynamic Analysis by Computational Fluids Dynamics in Building: Case Study
Authors: Javier Navarro Garcia, Narciso Vazquez Carretero
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Eurocode 1, part 1-4, wind actions, includes in its article 1.5 the possibility of using numerical calculation methods to obtain information on the loads acting on a building. On the other hand, the analysis using computational fluids dynamics (CFD) in aerospace, aeronautical, and industrial applications is already in widespread use. The application of techniques based on CFD analysis on the building to study its aerodynamic behavior now opens a whole alternative field of possibilities for civil engineering and architecture; optimization of the results with respect to those obtained by applying the regulations, the possibility of obtaining information on pressures, speeds at any point of the model for each moment, the analysis of turbulence and the possibility of modeling any geometry or configuration. The present work compares the results obtained on a building, with respect to its aerodynamic behavior, from a mathematical model based on the analysis by CFD with the results obtained by applying Eurocode1, part1-4, wind actions. It is verified that the results obtained by CFD techniques suppose an optimization of the wind action that acts on the building with respect to the wind action obtained by applying the Eurocode1, part 1-4, wind actions. In order to carry out this verification, a 45m high square base truncated pyramid building has been taken. The mathematical model on CFD, based on finite volumes, has been calculated using the FLUENT commercial computer application using a scale-resolving simulation (SRS) type large eddy simulation (LES) turbulence model for an atmospheric boundary layer wind with turbulent component in the direction of the flow.Keywords: aerodynamic, CFD, computacional fluids dynamics, computational mechanics
Procedia PDF Downloads 1372017 Computational, Human, and Material Modalities: An Augmented Reality Workflow for Building form Found Textile Structures
Authors: James Forren
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This research paper details a recent demonstrator project in which digital form found textile structures were built by human craftspersons wearing augmented reality (AR) head-worn displays (HWDs). The project utilized a wet-state natural fiber / cementitious matrix composite to generate minimal bending shapes in tension which, when cured and rotated, performed as minimal-bending compression members. The significance of the project is that it synthesizes computational structural simulations with visually guided handcraft production. Computational and physical form-finding methods with textiles are well characterized in the development of architectural form. One difficulty, however, is physically building computer simulations: often requiring complicated digital fabrication workflows. However, AR HWDs have been used to build a complex digital form from bricks, wood, plastic, and steel without digital fabrication devices. These projects utilize, instead, the tacit knowledge motor schema of the human craftsperson. Computational simulations offer unprecedented speed and performance in solving complex structural problems. Human craftspersons possess highly efficient complex spatial reasoning motor schemas. And textiles offer efficient form-generating possibilities for individual structural members and overall structural forms. This project proposes that the synthesis of these three modalities of structural problem-solving – computational, human, and material - may not only develop efficient structural form but offer further creative potentialities when the respective intelligence of each modality is productively leveraged. The project methodology pertains to its three modalities of production: 1) computational, 2) human, and 3) material. A proprietary three-dimensional graphic statics simulator generated a three-legged arch as a wireframe model. This wireframe was discretized into nine modules, three modules per leg. Each module was modeled as a woven matrix of one-inch diameter chords. And each woven matrix was transmitted to a holographic engine running on HWDs. Craftspersons wearing the HWDs then wove wet cementitious chords within a simple falsework frame to match the minimal bending form displayed in front of them. Once the woven components cured, they were demounted from the frame. The components were then assembled into a full structure using the holographically displayed computational model as a guide. The assembled structure was approximately eighteen feet in diameter and ten feet in height and matched the holographic model to under an inch of tolerance. The construction validated the computational simulation of the minimal bending form as it was dimensionally stable for a ten-day period, after which it was disassembled. The demonstrator illustrated the facility with which computationally derived, a structurally stable form could be achieved by the holographically guided, complex three-dimensional motor schema of the human craftsperson. However, the workflow traveled unidirectionally from computer to human to material: failing to fully leverage the intelligence of each modality. Subsequent research – a workshop testing human interaction with a physics engine simulation of string networks; and research on the use of HWDs to capture hand gestures in weaving seeks to develop further interactivity with rope and chord towards a bi-directional workflow within full-scale building environments.Keywords: augmented reality, cementitious composites, computational form finding, textile structures
Procedia PDF Downloads 1752016 Countercurrent Flow Simulation of Gas-Solid System in a Purge Column Using Computational Fluid Dynamics Techniques
Authors: T. J. Jamaleddine
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Purge columns or degasser vessels are widely used in the polyolefin process for removing trapped hydrocarbons and in-excess catalyst residues from the polymer particles. A uniform distribution of purged gases coupled with a plug-flow characteristic inside the column system is desirable to obtain optimum desorption characteristics of trapped hydrocarbon and catalyst residues. Computational Fluid Dynamics (CFD) approach is a promising tool for design optimization of these vessels. The success of this approach is profoundly dependent on the solution strategy and the choice of geometrical layout at the vessel outlet. Filling the column with solids and initially solving for the solids flow minimized numerical diffusion substantially. Adopting a cylindrical configuration at the vessel outlet resulted in less numerical instability and resembled the hydrodynamics flow of solids in the hopper segment reasonably well.Keywords: CFD, degasser vessel, gas-solids flow, gas purging, purge column, species transport
Procedia PDF Downloads 1292015 Expressivity of Word-Formation in English and Russian Advertising Lexicon
Authors: Voronina Ekaterina Borisovna
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The problem of expressivity of advertising lexicon is studied in the article. The comparison of English and Russian advertising lexicons is done. The objects of the analysis were English and Russian advertising texts, both printed advertising texts and texts extracted from the commercials. Some conclusions concerning the expressivity of advertising lexicon were made. Expressivity can be included in the semantic structure of words or created by word-formation means. Expressivity caused by morphological derivatives includes such facilities as derivational affixes, models and types of word formation.Keywords: advertising lexicon, expressivity, word-formation means, linguistics
Procedia PDF Downloads 3512014 Optimization of Urea Water Solution Injector for NH3 Uniformity Improvement in Urea-SCR System
Authors: Kyoungwoo Park, Gil Dong Kim, Seong Joon Moon, Ho Kil Lee
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The Urea-SCR is one of the most efficient technologies to reduce NOx emissions in diesel engines. In the present work, the computational prediction of internal flow and spray characteristics in the Urea-SCR system was carried out by using 3D-CFD simulation to evaluate NH3 uniformity index (NH3 UI) and its activation time according to the official New European Driving Cycle (NEDC). The number of nozzle and its diameter, two types of injection directions, and penetration length were chosen as the design variables. The optimal solutions were obtained by coupling the CFD analysis with Taguchi method. The L16 orthogonal array and small-the-better characteristics of the Taguchi method were used, and the optimal values were confirmed to be valid with 95% confidence and 5% significance level through analysis of variance (ANOVA). The results show that the optimal solutions for the NH3 UI and activation time (NH3 UI 0.22) are obtained by 0.41 and 0,125 second, respectively, and their values are improved by 85.0% and 10.7%, respectively, compared with those of the base model.Keywords: computational fluid dynamics, NH3 uniformity index, optimization, Taguchi method, Urea-SCR system, UWS injector
Procedia PDF Downloads 2672013 Digital Homeostasis: Tangible Computing as a Multi-Sensory Installation
Authors: Andrea Macruz
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This paper explores computation as a process for design by examining how computers can become more than an operative strategy in a designer's toolkit. It documents this, building upon concepts of neuroscience and Antonio Damasio's Homeostasis Theory, which is the control of bodily states through feedback intended to keep conditions favorable for life. To do this, it follows a methodology through algorithmic drawing and discusses the outcomes of three multi-sensory design installations, which culminated from a course in an academic setting. It explains both the studio process that took place to create the installations and the computational process that was developed, related to the fields of algorithmic design and tangible computing. It discusses how designers can use computational range to achieve homeostasis related to sensory data in a multi-sensory installation. The outcomes show clearly how people and computers interact with different sensory modalities and affordances. They propose using computers as meta-physical stabilizers rather than tools.Keywords: algorithmic drawing, Antonio Damasio, emotion, homeostasis, multi-sensory installation, neuroscience
Procedia PDF Downloads 1072012 Influence of Geometrical Parameters of a Wind Turbine on the Optimal Tip-Speed Ratio
Authors: Zdzislaw Piotr Kaminski, Miroslaw Wendeker, Zbigniew Czyz
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The paper describes the geometric model, calculation algorithm and results of the CFD simulation of the airflow around a rotor in the vertical axis wind turbine (VAWT) with the ANSYS Fluent computational solver. The CFD method enables creating aerodynamic characteristics of forces acting on rotor working surfaces and determining parameters such as torque or power generated by the rotor assembly. The object of the research was a rotor whose construction is based on patent no.PL219985. The conducted tests enabled a mathematical model with a description of the generation of aerodynamic forces acting on each rotor blade. Additionally, this model was compared to the results of the wind tunnel tests. The analysis also focused on the influence of the blade angle on turbine power and the TSR. The research has shown that the turbine blade angle has a significant impact on the optimal value of the TSR.Keywords: computational fluid dynamics, numerical analysis, renewable energy, wind turbine
Procedia PDF Downloads 1532011 Numerical Investigation of Fluid Flow and Temperature Distribution on Power Transformer Windings Using Open Foam
Authors: Saeed Khandan Siar, Stefan Tenbohlen, Christian Breuer, Raphael Lebreton
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The goal of this article is to investigate the detailed temperature distribution and the fluid flow of an oil cooled winding of a power transformer by means of computational fluid dynamics (CFD). The experimental setup consists of three passes of a zig-zag cooled disc type winding, in which losses are modeled by heating cartridges in each winding segment. A precise temperature sensor measures the temperature of each turn. The laboratory setup allows the exact control of the boundary conditions, e.g. the oil flow rate and the inlet temperature. Furthermore, a simulation model is solved using the open source computational fluid dynamics solver OpenFOAM and validated with the experimental results. The model utilizes the laminar and turbulent flow for the different mass flow rate of the oil. The good agreement of the simulation results with experimental measurements validates the model.Keywords: CFD, conjugated heat transfer, power transformers, temperature distribution
Procedia PDF Downloads 4222010 A Density Functional Theory Computational Study on the Inhibiting Action of Some Derivatives of 1,8-Bis(Benzylideneamino)Naphthalene against Aluminum Corrosion
Authors: Taher S. Ababneh, Taghreed M. A. Jazzazi, Tareq M. A. Alshboul
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The inhibiting action against aluminum corrosion by three derivatives of 1,8-bis (benzylideneamino) naphthalene (BN) Schiff base has been investigated by means of DFT quantum chemical calculations at the B3LYP/6-31G(d) level of theory. The derivatives (CBN, NBN and MBN) were prepared from the condensation reaction of 1,8-diaminonaphthalene with substituted benzaldehyde (4-CN, 3-NO₂ and 3,4-(OMe)₂, respectively). Calculations were conducted to study the adsorption of each Schiff base on aluminum surface to evaluate its potential as a corrosion inhibitor. The computational structural features and electronic properties of each derivative such as relative energies and energies of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) have been reported. Thermodynamic functions and quantum chemical parameters such as the hardness of the inhibitor, the softness and the electrophilicity index were calculated to determine the derivative of the highest inhibition efficiency.Keywords: corrosion, aluminum, DFT calculation, 1, 8-diaminonaphthalene, benzaldehyde
Procedia PDF Downloads 3472009 Two Stage Assembly Flowshop Scheduling Problem Minimizing Total Tardiness
Authors: Ali Allahverdi, Harun Aydilek, Asiye Aydilek
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The two stage assembly flowshop scheduling problem has lots of application in real life. To the best of our knowledge, the two stage assembly flowshop scheduling problem with total tardiness performance measure and separate setup times has not been addressed so far, and hence, it is addressed in this paper. Different dominance relations are developed and several algorithms are proposed. Extensive computational experiments are conducted to evaluate the proposed algorithms. The computational experiments have shown that one of the algorithms performs much better than the others. Moreover, the experiments have shown that the best performing algorithm performs much better than the best existing algorithm for the case of zero setup times in the literature. Therefore, the proposed best performing algorithm not only can be used for problems with separate setup times but also for the case of zero setup times.Keywords: scheduling, assembly flowshop, total tardiness, algorithm
Procedia PDF Downloads 3442008 Men Act, Women Are Acted Upon: Morphosyntactic Framing of the Sexual Intercourse in Online Pornography Titles
Authors: Aleksandra Tomic
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According to reliable sources, 4% of all websites is devoted to pornographic material, yet these estimates are often reported to be much higher. The largest internet pornography streaming website reports 21.2 billion visits in 2015 only. Considering the ubiquity of online pornography and the frequency of use, it is necessary to examine its potential influence on the construal of the sexual act and the roles of participants. Apart from the verbal and physical interactions in the pornographic movies themselves, the language in the titles of movies has the power to frame the sexual intercourse. In this study, Critical Discourse Analysis and corpus linguistics approaches will be used to examine the way the sexual intercourse and the roles of the participants are ideologically construed and perpetuated in the Internet pornography discourse. To this end, the study will explore the association between the specific morphosyntactic aspects of the references to performers of both genders, the person and the thematic role, and the gender of referred performer in the corpus of online pornographic movie titles. Distinctive collexeme analysis will be conducted to uncover possible associations between for gender of the performer denoted by the linguistic expression, and the person and thematic role assigned to it in the titles of online pornography movies. Initial results of the chi-square procedure performed on a sample of 295 online pornography movie titles on the largest pornography streaming website ‘Pornhub’ yielded significant results. The use of the three person categories was not equally distributed between genders, X2 (2, N = 106) = 32.52, p < 0.001, with female performers being referred to in the third person in 71.7% of the instances, and speaking in the first person 20.8% of the time, whereas male performers spoke in the first person 68% of the time, and were referred to in the third person in 17% of the instances. Moreover, there was a gender disparity in the assignment of thematic roles, with linguistic expressions for women being assigned the Patient role and men the Agent role in 58.8% of the cases, whereas the roles were reversed in 41.2% of the instances, X2 (1, N = 262) = 8.07633, p < 0.005. The results are discussed in terms of the ideologies surrounding female and male sexuality in the pornography discourse. Potential patterns of power imbalance, objectification, and discrimination are highlighted. Finally, the evidence from psycholinguistic studies on the influence of the language structure on event construal is related to the results of the study.Keywords: corpus linguistics, gender studies, pornography, thematic roles
Procedia PDF Downloads 1902007 Concepts of Creation and Destruction as Cognitive Instruments in World View Study
Authors: Perizat Balkhimbekova
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Evolutionary changes in cognitive world view taking place in the last decades are followed by changes in perception of the key concepts which are related to the certain lingua-cultural sphere. Also, such concepts reflect the person’s attitude to essential processes in the sphere of concepts, e.g. the opposite operations like creation and destruction. These changes in people’s life and thinking are displayed in a language world view. In order to open the maintenance of mental structures and concepts we should use language means as observable results of people’s cognitive activity. Semantics of words, free phrases and idioms should be considered as an authoritative source of information concerning concepts. The regularized set of concepts in people consciousness forms the sphere of concepts. Cognitive linguistics widely discusses the sphere of concepts as its crucial category defining it as the field of knowledge which is made of concepts. It is considered that a sphere of concepts comprises the various types of association and forms conceptual fields. As a material for the given research, the data from Russian National Corpus and British National Corpus were used. In is necessary to point out that data provided by computational studies, are intrinsic and verifiable; so that we have used them in order to get the reliable results. The procedure of study was based on such techniques as extracting of the context containing concepts of creation|destruction from the Russian National Corpus (RNC), and British National Corpus (BNC); analyzing and interpreting of those context on the basis of cognitive approach; finding of correspondence between the given concepts in the Russian and English world view. The key problem of our study is to find the correspondence between the elements of world view represented by opposite concepts such as creation and destruction. Findings: The concept of "destruction" indicates a process which leads to full or partial destruction of an object. In other words, it is a loss of the object primary essence: structures, properties, distinctive signs and its initial integrity. The concept of "creation", on the contrary, comprises positive characteristics, represents the activity aimed at improvement of the certain object, at the creation of ideal models of the world. On the other hand, destruction is represented much more widely in RNC than creation (1254 cases of the first concept by comparison to 192 cases for the second one). Our hypothesis consists in the antinomy represented by the aforementioned concepts. Being opposite both in respect of semantics and pragmatics, and from the point of view of axiology, they are at the same time complementary and interrelated concepts.Keywords: creation, destruction, concept, world view
Procedia PDF Downloads 3452006 Elitist Self-Adaptive Step-Size Search in Optimum Sizing of Steel Structures
Authors: Oğuzhan Hasançebi, Saeid Kazemzadeh Azad
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Keywords: structural design optimization, optimal sizing, metaheuristics, self-adaptive step-size search, steel trusses, steel frames
Procedia PDF Downloads 3752005 Application of Computational Chemistry for Searching Anticancer Derivatives of 2-Phenazinamines as Bcr-Abl Tyrosine Kinase Inhibitors
Authors: Gajanan M. Sonwane
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The computational studies on 2-phenazinamines with their protein targets have been carried out to design compounds with potential anticancer activity. This strategy of designing compounds possessing selectivity over specific tyrosine kinase has been achieved through G-QSAR and molecular docking studies. The objective of this research has been to design newer 2-phenazinamine derivatives as Bcr-Abl tyrosine kinase inhibitors by G-QSAR, molecular docking studies followed by wet-lab studies along with evaluation of their anticancer potential. Computational chemistry was done by using VLife MDS 4.3 and Autodock 4.2 followed by wet-lab experiments for synthesizing 2-phenazinamine derivatives. The chemical structures of ligands in 2D were drawn by employing Chemdraw 2D Ultra 8.0 and were converted into 3D. These were optimized by using a semi-empirical method called MOPAC. The protein structure was retrieved from RCSC protein data bank as a PDB file. The binding interactions of protein and ligands were done by using PYMOL. The molecular properties of the designed compounds were predicted in silico by using Osiris property explorer. The parent compound 2-phenazinamine was synthesized by reduction of 2, 4-dinitro-N-phenyl-benzenamine in the presence of tin chloride followed by cyclization in the presence of nitrobenzene and magnesium sulfate. The derivatization at the amino function of 2-phenazinamine was performed by treating parent compound with various aldehydes in the presence of dicyclohexylcarbodiimide (DCC) and urea to afford 2-(2-chlorophenyl)-3-(phenazine-2-yl) thiazolidine-4-one. Synthesized 39 novel derivatives of 2-phenazinamine and performed antioxidant activity, anti antiproliferative on the bulb of onion and anticancer activity on cell line showing significant competition with marked blockbuster drug imatinib.Keywords: computer-aided drug design, tyrosin kinases, anticancer, docking
Procedia PDF Downloads 1402004 Hardware Implementation and Real-time Experimental Validation of a Direction of Arrival Estimation Algorithm
Authors: Nizar Tayem, AbuMuhammad Moinuddeen, Ahmed A. Hussain, Redha M. Radaydeh
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This research paper introduces an approach for estimating the direction of arrival (DOA) of multiple RF noncoherent sources in a uniform linear array (ULA). The proposed method utilizes a Capon-like estimation algorithm and incorporates LU decomposition to enhance the accuracy of DOA estimation while significantly reducing computational complexity compared to existing methods like the Capon method. Notably, the proposed method does not require prior knowledge of the number of sources. To validate its effectiveness, the proposed method undergoes validation through both software simulations and practical experimentation on a prototype testbed constructed using a software-defined radio (SDR) platform and GNU Radio software. The results obtained from MATLAB simulations and real-time experiments provide compelling evidence of the proposed method's efficacy.Keywords: DOA estimation, real-time validation, software defined radio, computational complexity, Capon's method, GNU radio
Procedia PDF Downloads 752003 Using Corpora in Semantic Studies of English Adjectives
Authors: Oxana Lukoshus
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The methods of corpus linguistics, a well-established field of research, are being increasingly applied in cognitive linguistics. Corpora data are especially useful for different quantitative studies of grammatical and other aspects of language. The main objective of this paper is to demonstrate how present-day corpora can be applied in semantic studies in general and in semantic studies of adjectives in particular. Polysemantic adjectives have been the subject of numerous studies. But most of them have been carried out on dictionaries. Undoubtedly, dictionaries are viewed as one of the basic data sources, but only at the initial steps of a research. The author usually starts with the analysis of the lexicographic data after which s/he comes up with a hypothesis. In the research conducted three polysemantic synonyms true, loyal, faithful have been analyzed in terms of differences and similarities in their semantic structure. A corpus-based approach in the study of the above-mentioned adjectives involves the following. After the analysis of the dictionary data there was the reference to the following corpora to study the distributional patterns of the words under study – the British National Corpus (BNC) and the Corpus of Contemporary American English (COCA). These corpora are continually updated and contain thousands of examples of the words under research which make them a useful and convenient data source. For the purpose of this study there were no special needs regarding genre, mode or time of the texts included in the corpora. Out of the range of possibilities offered by corpus-analysis software (e.g. word lists, statistics of word frequencies, etc.), the most useful tool for the semantic analysis was the extracting a list of co-occurrence for the given search words. Searching by lemmas, e.g. true, true to, and grouping the results by lemmas have proved to be the most efficient corpora feature for the adjectives under the study. Following the search process, the corpora provided a list of co-occurrences, which were then to be analyzed and classified. Not every co-occurrence was relevant for the analysis. For example, the phrases like An enormous sense of responsibility to protect the minds and hearts of the faithful from incursions by the state was perceived to be the basic duty of the church leaders or ‘True,’ said Phoebe, ‘but I'd probably get to be a Union Official immediately were left out as in the first example the faithful is a substantivized adjective and in the second example true is used alone with no other parts of speech. The subsequent analysis of the corpora data gave the grounds for the distribution groups of the adjectives under the study which were then investigated with the help of a semantic experiment. To sum it up, the corpora-based approach has proved to be a powerful, reliable and convenient tool to get the data for the further semantic study.Keywords: corpora, corpus-based approach, polysemantic adjectives, semantic studies
Procedia PDF Downloads 3142002 A Review of Attractor Neural Networks and Their Use in Cognitive Science
Authors: Makenzy Lee Gilbert
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This literature review explores the role of attractor neural networks (ANNs) in modeling psychological processes in artificial and biological systems. By synthesizing research from dynamical systems theory, psychology, and computational neuroscience, the review provides an overview of the current understanding of ANN function in memory formation, reinforcement, retrieval, and forgetting. Key mathematical foundations, including dynamical systems theory and energy functions, are discussed to explain the behavior and stability of these networks. The review also examines empirical applications of ANNs in cognitive processes such as semantic memory and episodic recall, as well as highlighting the hippocampus's role in pattern separation and completion. The review addresses challenges like catastrophic forgetting and noise effects on memory retrieval. By identifying gaps between theoretical models and empirical findings, it highlights the interdisciplinary nature of ANN research and suggests future exploration areas.Keywords: attractor neural networks, connectionism, computational modeling, cognitive neuroscience
Procedia PDF Downloads 282001 Variation in Italian Specialized Economic Texts
Authors: Abdelmagid Basyouny Sakr
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Terminological variation is a reality and it is now recognized by terminologists. This paper investigates the terminological variation in the context of specialized economic texts in Italian. It aims to find whether certain patterns or tendencies can be derived from the analysis of these texts. Term variants pose two different kinds of difficulties. The first one is being able to recognize linguistic expressions that denote the same concept in running text. Another one lies in knowing which variant should be considered and for what purpose. This would help to differentiate between variants that could be candidates for inclusion in terminological resources and the ones which are synonyms or contextual variants. New insights about terminological variation in specialized texts could contribute to improve specialized dictionaries which will better account for the different ways in which a given thought is expressed.Keywords: corpus linguistics, specialized communication, terms and concepts, terminological variation
Procedia PDF Downloads 1592000 A Look at the Quantum Theory of Atoms in Molecules from the Discrete Morse Theory
Authors: Dairo Jose Hernandez Paez
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The quantum theory of atoms in molecules (QTAIM) allows us to obtain topological information on electronic density in quantum mechanical systems. The QTAIM starts by considering the electron density as a continuous mathematical object. On the other hand, the discretization of electron density is also a mathematical object, which, from discrete mathematics, would allow a new approach to its topological study. From this point of view, it is necessary to develop a series of steps that provide the theoretical support that guarantees its application. Some of the steps that we consider most important are mentioned below: (1) obtain good representations of the electron density through computational calculations, (2) design a methodology for the discretization of electron density, and construct the simplicial complex. (3) Make an analysis of the discrete vector field associating the simplicial complex. (4) Finally, in this research, we propose to use the discrete Morse theory as a mathematical tool to carry out studies of electron density topology.Keywords: discrete mathematics, Discrete Morse theory, electronic density, computational calculations
Procedia PDF Downloads 1041999 Parameters Optimization of the Laminated Composite Plate for Sound Transmission Problem
Authors: Yu T. Tsai, Jin H. Huang
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In this paper, the specific sound transmission loss (TL) of the laminated composite plate (LCP) with different material properties in each layer is investigated. The numerical method to obtain the TL of the LCP is proposed by using elastic plate theory. The transfer matrix approach is novelty presented for computational efficiency in solving the numerous layers of dynamic stiffness matrix (D-matrix) of the LCP. Besides the numerical simulations for calculating the TL of the LCP, the material properties inverse method is presented for the design of a laminated composite plate analogous to a metallic plate with a specified TL. As a result, it demonstrates that the proposed computational algorithm exhibits high efficiency with a small number of iterations for achieving the goal. This method can be effectively employed to design and develop tailor-made materials for various applications.Keywords: sound transmission loss, laminated composite plate, transfer matrix approach, inverse problem, elastic plate theory, material properties
Procedia PDF Downloads 3881998 Computational Fluid Dynamics and Experimental Evaluation of Two Batch Type Electrocoagulation Stirred Tank Reactors Used in the Removal of Cr (VI) from Waste Water
Authors: Phanindra Prasad Thummala, Umran Tezcan Un
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In this study, hydrodynamics analysis of two batch type electrocoagulation stirred tank reactors, used for the electrocoagulation treatment of Cr(VI) wastewater, was carried using computational fluid dynamics (CFD). The aim of the study was to evaluate the impact of mixing characteristics on overall performance of electrocoagulation reactor. The CFD simulations were performed using ANSYS FLUENT 14.4 software. The mixing performance of each reactor was evaluated by numerically modelling tracer dispersion in each reactor configuration. The uniformity in tracer dispersion was assumed when 90% of the ratio of the maximum to minimum concentration of the tracer was realized. In parallel, experimental evaluation of both the electrocoagulation reactors for removal of Cr(VI) from wastewater was also carried out. The results of CFD and experimental analysis clearly show that the reactor which can give higher uniformity in lesser time, will perform better as an electrocoagulation reactor for removal of Cr(VI) from wastewater.Keywords: CFD, stirred tank reactors, electrocoagulation, Cr(VI) wastewater
Procedia PDF Downloads 4621997 The Women-In-Mining Discourse: A Study Combining Corpus Linguistics and Discourse Analysis
Authors: Ylva Fältholm, Cathrine Norberg
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One of the major threats identified to successful future mining is that women do not find the industry attractive. Many attempts have been made, for example in Sweden and Australia, to create organizational structures and mining communities attractive to both genders. Despite such initiatives, many mining areas are developing into gender-segregated fly-in/fly out communities dominated by men with both social and economic consequences. One of the challenges facing many mining companies is thus to break traditional gender patterns and structures. To do this increased knowledge about gender in the context of mining is needed. Since language both constitutes and reproduces knowledge, increased knowledge can be gained through an exploration and description of the mining discourse from a gender perspective. The aim of this study is to explore what conceptual ideas are activated in connection to the physical/geographical mining area and to work within the mining industry. We use a combination of critical discourse analysis implying close reading of selected texts, such as policy documents, interview materials, applications and research and innovation agendas, and analyses of linguistic patterns found in large language corpora covering millions of words of contemporary language production. The quantitative corpus data serves as a point of departure for the qualitative analysis of the texts, that is, suggests what patterns to explore further. The study shows that despite technological and organizational development, one of the most persistent discourses about mining is the conception of dangerous and unfriendly areas infused with traditional notions of masculinity ideals and manual hard work. Although some of the texts analyzed highlight gender issues, and describe gender-equalizing initiatives, such as wage-mapping systems, female networks and recruitment efforts for women executives, and thereby render the discourse less straightforward, it is shown that these texts are not unambiguous examples of a counter-discourse. They rather illustrate that discourses are not stable but include opposing discourses, in dialogue with each other. For example, many texts highlight why and how women are important to mining, at the same time as they suggest that gender and diversity are all about women: why mining is a problem for them, how they should be, and what they should do to fit in. Drawing on a constitutive view of discourse, knowledge about such conflicting perceptions of women is a prerequisite for succeeding in attracting women to the mining industry and thereby contributing to the development of future mining.Keywords: discourse, corpus linguistics, gender, mining
Procedia PDF Downloads 2641996 Process Data-Driven Representation of Abnormalities for Efficient Process Control
Authors: Hyun-Woo Cho
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Unexpected operational events or abnormalities of industrial processes have a serious impact on the quality of final product of interest. In terms of statistical process control, fault detection and diagnosis of processes is one of the essential tasks needed to run the process safely. In this work, nonlinear representation of process measurement data is presented and evaluated using a simulation process. The effect of using different representation methods on the diagnosis performance is tested in terms of computational efficiency and data handling. The results have shown that the nonlinear representation technique produced more reliable diagnosis results and outperforms linear methods. The use of data filtering step improved computational speed and diagnosis performance for test data sets. The presented scheme is different from existing ones in that it attempts to extract the fault pattern in the reduced space, not in the original process variable space. Thus this scheme helps to reduce the sensitivity of empirical models to noise.Keywords: fault diagnosis, nonlinear technique, process data, reduced spaces
Procedia PDF Downloads 2471995 An Improved Mesh Deformation Method Based on Radial Basis Function
Authors: Xuan Zhou, Litian Zhang, Shuixiang Li
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Mesh deformation using radial basis function interpolation method has been demonstrated to produce quality meshes with relatively little computational cost using a concise algorithm. However, it still suffers from the limited deformation ability, especially in large deformation. In this paper, a pre-displacement improvement is proposed to improve the problem that illegal meshes always appear near the moving inner boundaries owing to the large relative displacement of the nodes near inner boundaries. In this improvement, nodes near the inner boundaries are first associated to the near boundary nodes, and a pre-displacement based on the displacements of associated boundary nodes is added to the nodes near boundaries in order to make the displacement closer to the boundary deformation and improve the deformation capability. Several 2D and 3D numerical simulation cases have shown that the pre-displacement improvement for radial basis function (RBF) method significantly improves the mesh quality near inner boundaries and deformation capability, with little computational burden increasement.Keywords: mesh deformation, mesh quality, background mesh, radial basis function
Procedia PDF Downloads 366