Search results for: europium dinuclear complex

Authors: Christy Rosaline, Rathankar Roa, Waheeta Hopper

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Persistence of tuberculosis, emergence of multidrug-resistance and extensively drug-resistant forms of the disease, has increased the interest in developing new antitubercular drugs. Developing inhibitors for 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis (MtbDAH7Ps), an enzyme involved in shikimate pathway, gives a selective target for antitubercular agents. MtbDAH7Ps was screened against ZINC database, and shortlisted compounds were subjected to induce fit docking. Prime/Molecular Mechanics Generalized Born Surface Area calculation was used to validate the binding energy of ligand-protein complex. Molecular Dynamics analysis for of the lead compounds–MtbDAH7Ps complexes showed that the backbone of MtbDAH7Ps in their complexes were stable. These results suggest that the shortlisted lead compounds ZINC04097114, ZINC15163225, ZINC16857013, ZINC06275603, and ZINC05331260 could be developed into novel drug leads to inhibit DAH7Ps in Mycobacterium tuberculosis.

Keywords: MtbDAH7Ps, Mycobacterium tuberculosis, HTVS, molecular dynamics

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Authors: Chen Zheng, Lin Zhou, Bao Xie, Xiao Du, Nianbin Shao

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Power generated by large-scale photovoltaic plants (LSPVPs) is usually transmitted to the grid through several transformers and long distance overhead lines. Impedance of transformers and transmission lines results in complex interactions between the plant and the grid and among different inverters. In accordance with the topological structure of LSPV in reality, an equivalent model containing different inverters was built and then interactions between the plant and the grid and among different inverters were studied. Based on the vector composition principle of voltage at the point of common coupling (PCC), the mathematic function of PCC voltage in regard to the total power and grid impedance was deduced, from which the uttermost total power to guarantee the system stable is obtained. Taking the influence of different inverters numbers and the length of transmission lines to the system stability into account, the stability criterion of LSPV containing different inverters was derived. The result of simulation validated the theory analysis in the paper.

Keywords: LSPVPs, stability analysis, grid impedance, different types of inverter, PCC voltage

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Authors: Y. S. Oh, P. Abhishesh, B. S. Ryuh

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This paper presents the method of trajectory planning by the robot end-effector which accounts for more accurate and smooth differential geometry of the ruled surface generated by tool line fixed with end-effector based on the methods of curvature theory of ruled surface and the dual curvature theory, and focuses on the underlying relation to unite them for enhancing the efficiency for trajectory planning. Robot motion can be represented as motion properties of the ruled surface generated by trajectory of the Tool Center Point (TCP). The linear and angular properties of the six degree-of-freedom motion of end-effector are computed using the explicit formulas and functions from curvature theory and dual curvature theory. This paper explains the complete dualization of ruled surface and shows that the linear and angular motion applied using the method of dual curvature theory is more accurate and less complex.

Keywords: dual curvature theory, robot end effector, ruled surface, TCP (Tool Center Point)

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Authors: Vladimir Simovic, Matija Varga, Robert Svetlacic

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Scientific work analytically explores and demonstrates techniques that can animate objects and geometric characters using CSS3 language by applying proper formatting and positioning of elements. This paper presents examples of optimum application of the CSS3 descriptive language when generating general web animations (e.g., billiards and movement of geometric characters, etc.). The paper presents analytically, the optimal development and animation design with the frames within which the animated objects are. The originally developed content is based on the upgrading of existing CSS3 descriptive language animations with more complex syntax and project-oriented work. The purpose of the developed animations is to provide an overview of the interactive features of CSS3 descriptive language design for computer games and the animation of important analytical data based on the web view. It has been analytically demonstrated that CSS3 as a descriptive language allows inserting of various multimedia elements into websites for public and internal sites.

Keywords: web animation recording, KML GML HTML5 forms, Cascading Style Sheets 3, Google Earth Professional

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Authors: Zidane Abderrezzaq

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In contrast to recent successful developments in macro monetary policies, the modelling, measurement and management of systemic financial stability has remained problematical. Indeed, the focus of most effort has been on improving individual, rather than systemic, bank risk management; the Basel II objective has been to bring regulatory bank capital into line with the (sophisticated) banks’ assessment of their own economic capital. Even at the individual bank level there are concerns over appropriate diversification allowances, differing objectives of banks and regulators, the need for a buffer over regulatory minima, and the distinction between expected and unexpected losses (EL and UL). At the systemic level the quite complex and prescriptive content of Basel II raises dangers of ‘endogenous risk’ and procyclicality. Simulations suggest that this latter could be a serious problem. In an extension to the main analysis we study how liquidity effects interact with banking structure to produce a greater chance of systemic breakdown. We finally consider how the risk of contagion might depend on the degree of asymmetry (tiering) inherent in the structure of the banking system. A number of our results have important implications for public policy, which this paper also draws out.

Keywords: systemic stability, financial regulation, credit risk, systemic risk

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Authors: Chapman Eze Nnadozie

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Relational databases constitute a very vital tool for the effective management and administration of both personal and organizational data. Data access ranges from a single user database management software to a more complex distributed server system. This paper intends to appraise the use a programming language extension like structured query language (SQL) to establish links to a relational database (Microsoft Access 2013) using Visual C++ 9 programming language environment. The methodology used involves the creation of tables to form a database using Microsoft Access 2013, which is Object Linking and Embedding (OLE) database compliant. The SQL command is used to query the tables in the database for easy extraction of expected records inside the visual C++ environment. The findings of this paper reveal that records can easily be accessed and manipulated to filter exactly what the user wants, such as retrieval of records with specified criteria, updating of records, and deletion of part or the whole records in a table.

Keywords: data access, database, database management system, OLE, programming language, records, relational database, software, SQL, table

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Authors: Sandesh Achar

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Artificial intelligence is being increasingly incorporated into many applications across various sectors such as health, education, security, and agriculture. Recently, there has been rapid development in cloud computing technology, resulting in AI’s implementation into cloud computing to enhance and optimize the technology service rendered. The deployment of AI in cloud-based applications has brought about autonomous computing, whereby systems achieve stated results without human intervention. Despite the amount of research into autonomous computing, work incorporating AI/ML into cloud computing to enhance its performance and resource allocation remain a fundamental challenge. This paper highlights different manifestations, roles, trends, and challenges related to AI-based cloud computing models. This work reviews and highlights excellent investigations and progress in the domain. Future directions are suggested for leveraging AI/ML in next-generation computing for emerging computing paradigms such as cloud environments. Adopting AI-based algorithms and techniques to increase operational efficiency, cost savings, automation, reducing energy consumption and solving complex cloud computing issues are the major findings outlined in this paper.

Keywords: artificial intelligence, cloud computing, deep learning, machine learning, internet of things

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Authors: Ahmed A. Khamis, Sherif A. Ibrahim, Mahmoud El Khatieb, Mohamed A. Barakat

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Parametric design is an icon of the modern architectural that facilitate taking complex design decisions counting on altering various design parameters. Double skin facades are one of the parametric applications for using parametric designs. This paper opts to enhance different daylight parameters of a selected case study office building in Cairo using parametric double skin facade. First, the design and optimization process executed utilizing Grasshopper parametric design software which is a plugin in rhino. The daylighting performance of the base case building model was compared with the one used the double façade showing an enhancement in daylighting performance indicators like glare and task illuminance in the modified model, execution drawings are made for the optimized design to be executed through Revit, followed by computerized digital fabrication stages of the designed model with various scales to reach the final design decisions using Simplify 3D for mock-up digital fabrication

Keywords: parametric design, double skin facades, digital fabrication, grasshopper, simplify 3D

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Authors: Anek Apipatkul, Paphakorn Pitayachaval

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Preventive maintenance is a standardized procedure to control and prevent risky problems affecting production in order to increase work efficiency. Machine monitoring also routinely works to collect data for a scheduling maintenance period. This paper is to present the application of machine monitoring by using the internet of things (IOTs) and a lean technique in order to manage with complex maintenance tasks of an automated plastic granule packing machine. To organize the preventive maintenance, there are several processes that the machine monitoring was applied, starting with defining a clear scope of the machine, establishing standards in maintenance work, applying a just-in-time (JIT) technique for timely delivery in the maintenance work, solving problems on the floor, and also improving the inspection process. The result has shown that wasted time was reduced, and machines have been operated as scheduled. Furthermore, the efficiency of the scheduled maintenance period was increased by 95%.

Keywords: internet of things, preventive maintenance, machine monitoring, lean technique

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Authors: Asma Moomal, Zukarnain Zakaria

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In this uncertain, highly competitive and hasty moving era, most of the organizations are surviving under the pressure of complex dynamics, fierce competition and many challenges in terms of global talent management within the global market. One key result of these challenges is that the organizations have to be organized and good at handling human capital if they want to gain sustainable and steady success in near future. By keeping in mind the importance of global competition, many human resource (HR) professionals are diagnosing the complexities in managing talent of human capital at global level, especially those of multinational enterprises (MNEs). As, there has been little research in the country regarding identification of the GTM in MNEs, this paper reviewed the relevant literature in order to examine the role of GTM strategies in enhancing the organizational development in the MNEs of Malaysia. The data collection technique used in this study was done through the secondary data resources (i.e. the existing literature analysis). This study contributes to extend our understanding of the impact of GTM on organizational development of MNEs within the country.

Keywords: Global Talent Management (GTM), multinational enterprises (MNEs), organizational development, talent

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Authors: Pavle Dakić, Dimitrije Kotur, Zoran Stojanović

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This paper presents the results of the study in which the excitation system fault of synchronous generator is simulated. In a case of excitation system fault (loss of field), distance relay is used to prevent further damage. Loss-of-field relay calculates complex impedance using measured voltage and current at the generator terminals. In order to obtain phasors from sampled measured values, discrete Fourier transform is used. All simulations are conducted using Matlab and Simulink software package. The analysis is conducted on the two machine system which supplies equivalent load. While simulating loss of excitation on one generator in different conditions (at idle operation, weakly loaded, and fully loaded), diagrams of active power, reactive power, and measured impedance are analyzed and monitored. Moreover, in the simulations, the effect of generator load on relay tripping time is investigated. In conclusion, the performed tests confirm that the fault in the excitation system can be detected by measuring the impedance.

Keywords: loss-of-excitation, synchronous generator, distance protection, Fourier transformation

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Authors: N. Fusun Oyman Serteller

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In this paper, the techniques to solve time dependent electromagnetic wave propagation equations based on the Finite Difference Method (FDM) are proposed by comparing the results with Finite Element Method (FEM) in 2D while discussing some special simulation examples.  Here, 2D dynamical wave equations for lossy media, even with a constant source, are discussed for establishing symbolic manipulation of wave propagation problems. The main objective of this contribution is to introduce a comparative study of two suitable numerical methods and to show that both methods can be applied effectively and efficiently to all types of wave propagation problems, both linear and nonlinear cases, by using symbolic computation. However, the results show that the FDM is more appropriate for solving the nonlinear cases in the symbolic solution. Furthermore, some specific complex domain examples of the comparison of electromagnetic waves equations are considered. Calculations are performed through Mathematica software by making some useful contribution to the programme and leveraging symbolic evaluations of FEM and FDM.

Keywords: finite difference method, finite element method, linear-nonlinear PDEs, symbolic computation, wave propagation equations

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Authors: F. Portet-Koltalo, Y. Tian, I. Berger, C. Boulanger-Lecomte, A. Benamar, N. Machour

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Sediments are complex environments which can accumulate a great variety of persistent toxic contaminants such as polychlorobiphenyles (PCBs), polycyclic aromatic hydrocarbons (PAHs) and some of their more toxic degradation metabolites such as hydroxylated PAHs (OH-PAHs). Owing to their composition, fine clayey sediments can be more difficult to extract than soils using conventional solvent extraction processes. So this study aimed to compare the potential of MSPD (matrix solid phase dispersive extraction) to extract PCBs, PAHs and OH-PAHs, in comparison with microwave assisted extraction (MAE). Methodologies: MAE extraction with various solvent mixtures was used to extract PCBs, PAHs and OH-PAHs from sediments in two runs, followed by two GC-MS analyses. MSPD consisted in crushing the dried sediment with dispersive agents, introducing the mixture in cartridges and eluting the target compounds with an appropriate volume of selected solvents. So MSPD combined with cartridges containing MIPs (molecularly imprinted polymers) designed for OH-PAHs was used to extract the three families of target compounds in only one run, followed by parallel analyses in GC-MS for PAHs/PCBs and HPLC-FLD for OH-PAHs. Results: MAE extraction was optimized to extract from clayey sediments, in two runs, PAHs/PCBs in one hand and OH-PAHs in the other hand. Indeed, the best conditions of extractions (mixtures of extracting solvents, temperature) were different if we consider the polarity and the thermodegradability of the different families of target contaminants: PAHs/PCBs were better extracted using an acetone/toluene 50/50 mixture at 130°C whereas OH-PAHs were better extracted using an acetonitrile/toluene 90/10 mixture at 100°C. Moreover, the two consecutive GC-MS analyses contributed to double the total analysis time. A matrix solid phase dispersive (MSPD) extraction procedure was also optimized, with the first objective of increasing the extraction recovery yields of PAHs and PCBs from fine-grained sediment. The crushing time (2-10 min), the nature of the dispersing agents added for purifying and increasing the extraction yields (Florisil, octadecylsilane, 3-chloropropyle, 4-benzylchloride), the nature and the volume of eluting solvents (methylene chloride, hexane, hexane/acetone…) were studied. It appeared that in the best conditions, MSPD was a better extraction method than MAE for PAHs and PCBs, with respectively, mean increases of 8.2% and 71%. This method was also faster, easier and less expensive. But the other advantage of MSPD was that it allowed to introduce easily, just after the first elution process of PAHs/PCBs, a step permitting the selective recovery of OH-PAHs. A cartridge containing MIPs designed for phenols was coupled to the cartridge containing the dispersed sediment, and various eluting solvents, different from those used for PAHs and PCBs, were tested to selectively concentrate and extract OH-PAHs. Thereafter OH-PAHs could be analyzed at the same time than PAHs and PCBs: the OH-PAH extract could be analyzed with HPLC-FLD, whereas the PAHs/PCBs extract was analyzed with GC-MS, adding only few minutes more to the total duration of the analytical process. Conclusion: MSPD associated to MIPs appeared to be an easy, fast and low expensive method, able to extract in one run a complex mixture of toxic apolar and more polar contaminants present in clayey fine-grained sediments, an environmental matrix which is generally difficult to analyze.

Keywords: contaminated fine-grained sediments, matrix solid phase dispersive extraction, microwave assisted extraction, molecularly imprinted polymers, multi-pollutant analysis

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Authors: Marina Sartor Hoffer

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The multicultural composition of today's societies poses new challenges to educational contexts. Schools are therefore called first to develop dialogic aptitudes and communicative skills adapted to the complex reality of post-modern societies. It is indispensable for educators and for young people to learn theoretical and practical tools during their scholastic path, in order to allow the knowledge of themselves and of the others with the aim of recognizing the value of the others regardless of their culture. Dialogic Skills help to understand and manage individual differences by allowing the solution of problems and preventing conflicts. The Educational Sector of Eric Berne’s Transactional Analysis offers a range of methods and techniques for this purpose. Educational Transactional Analysis is firmly anchored in the Personalist Philosophy and deserves to be promoted as a theoretical frame suitable to face the challenges of contemporary education. The goal of this paper is therefore to outline some conceptual and methodological signposts for the education to dialogue by drawing concepts and methodologies from educational transactional analysis.

Keywords: dialogic process, education to dialogue, educational transactional analysis, personalism, the good of the relationship

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Authors: Bonchan Koo, Junhee Han, Dohyung Lee

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The research attempts to evaluate the accuracy and efficiency of a design optimization procedure which combines wavelets-based solution algorithm and proper orthogonal decomposition (POD) database management technique. Aerodynamic design procedure calls for high fidelity computational fluid dynamic (CFD) simulations and the consideration of large number of flow conditions and design constraints. Even with significant computing power advancement, current level of integrated design process requires substantial computing time and resources. POD reduces the degree of freedom of full system through conducting singular value decomposition for various field simulations. For additional efficiency improvement of the procedure, adaptive wavelet technique is also being employed during POD training period. The proposed design procedure was applied to the optimization of wing aerodynamic performance. Throughout the research, it was confirmed that the POD/wavelets design procedure could significantly reduce the total design turnaround time and is also able to capture all detailed complex flow features as in full order analysis.

Keywords: POD (Proper Orthogonal Decomposition), wavelets, CFD, design optimization, ROM (Reduced Order Model)

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Authors: Cesar Eduardo Hernández Curiel, Victor Hugo Benítez Baltazar, Jesús Horacio Pacheco Ramírez

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This paper is devoted to present the advances in the design of a prototype that is able to supervise the complex behavior of water quality parameters such as pH and temperature, via a real-time monitoring system. The current water quality tests that are performed in government water quality institutions in Mexico are carried out in problematic locations and they require taking manual samples. The water samples are then taken to the institution laboratory for examination. In order to automate this process, a water quality monitoring system based on wireless sensor networks is proposed. The system consists of a sensor node which contains one pH sensor, one temperature sensor, a microcontroller, and a ZigBee radio, and a base station composed by a ZigBee radio and a PC. The progress in this investigation shows the development of a water quality monitoring system. Due to recent events that affected water quality in Mexico, the main motivation of this study is to address water quality monitoring systems, so in the near future, a more robust, affordable, and reliable system can be deployed.

Keywords: pH measurement, water quality monitoring, wireless sensor networks, ZigBee

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Authors: Dingding Chen, Kazuo Arakawa, Masakazu Uchino, Changheng Xu

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Vacuum assisted resin transfer moulding (VARTM) is a promising manufacture process for making large and complex fiber reinforced composite structures. However, the complexity of the flow of the resin in the infusion stage usually leads to nonuniform property distribution of the produced composite part. In order to control the flow of the resin, the situation of flow should be mastered. For the safety of the usage of the produced composite in practice, the understanding of the property distribution is essential. In this paper, we did some trials on monitoring the resin infusion stage and evaluation for the fiber volume fraction distribution of the VARTM produced composite using the digital image correlation methods. The results show that 3D-DIC is valid on monitoring the resin infusion stage and it is possible to use 2D-DIC to estimate the distribution of the fiber volume fraction on a FRP plate.

Keywords: digital image correlation, VARTM, FRP, fiber volume fraction

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Authors: Hyunseo Choi, Jaewan Hong, Seil Lee, Yang Mo Koo

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Non-oriented (NO) electrical steel is one of the most important soft magnetic materials for rotating machines. Si has usually been added to electrical steels to reduce eddy current loss by increasing the electrical resistivity. Si content more than 3.5 wt% causes cracks during cold rolling due to increase of brittleness. Al also increases the electrical resistivity of the materials as much as Si. In addition, cold workability of Fe-Al is better than Fe-Si, so that Al can be added up to 6.0 wt%. However, the effect of Al contents on magnetic properties of electrical steels has not been studied in detail. Magnetic domains of {100} grains in electrical steels, ranging from 1.85 to 6.54 wt% Al, were observed by magneto-optic Kerr microscopy. Furthermore, the correlation of magnetic domains with magnetic properties was investigated. As Al contents increased, the magnetic domain size of {100} grains decreased due to lowered domain wall energy. Reorganization of magnetic domain structure became more complex as domain size decreased. Therefore, the addition of Al to electrical steel caused hysteresis loss to increase. Anomalous loss decreased and saturated after 4.68% Al.

Keywords: electrical steel, magnetic domain structure, Al addition, core loss, rearrangement of domains

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Authors: Mohammad Mozammel Haque

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A clause is a sentence or a part of a sentence having a subject and a principal verb; it may or may not express a complete thought. But, a sentence is a group of words arranged orderly, and it has a complete thought. Clause and sentence are interrelated with each other. It is really quite impossible to decide whether a sentence is simple, complex or compound without having an idea about clauses. Correspondingly, knowing whether a clause is main or subordinate without having an idea about sentence is equally not easy. It is even a task somewhat difficult task for a teacher to teach sentences and clauses in a classroom, unconnectedly or independently. When discussing types of sentences, the teacher must talk about clauses. Likewise, he/she must confer sentences when he teaches clauses in a classroom. This paper aims at discussing types of clauses and sentences in detail, and showing their interrelationship. It also shows that it is requisite to discuss clauses when teaching sentences in the same class, and that the students also have trouble understanding the one without having, at least, a little idea about the other. Ardent and practical paradigms from the books selected for various skill courses in the English Department of Jazan University have also been discussed in this paper.

Keywords: clause, correlation, dependent, independent, interrelationship, sentence

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Authors: Hossein Keshtkar, Ali Nasiri Toosi

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With the growing concerns about gasoline environmental pollution and also the need for a more widely available fuel source, natural gas is finding its way to the automotive engines. But before this could happen industrially, simulations of natural gas direct injection need to take place to maximize and optimize power output. KIVA is one of the most powerful tools when it comes to engine simulation. Widely accepted by both researchers and the industry, KIVA an open-source code, offers great in-depth simulation and analyzation. KIVA can compute complex phenomena’s which can occur inside the chamber before, whilst and after ignition. One downside to KIVA, is its in-capability of simulating gaseous injections, making it useful for only liquidized fuel. In this study, we developed a numerical code, to enable the simulation of gaseous injection within the KIVA code. By introducing our code as a subroutine, we modified the original KIVA program. To ensure the correct application of gaseous fuel injection using our modified KIVA code, we simulated two different cases and compared them with their experimental data. We concluded our modified version of KIVA’s simulation results came in very close to those measured experimentally.

Keywords: gaseous injections, KIVA, natural gas direct injection, numerical code, simulation

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Authors: Greeshma Sharma, Sushil Chandra, Vijander Singh, Alok Prakash Mittal

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Navigational ability requires spatial representation, planning, and memory. It covers three interdependent domains, i.e. cognitive and perceptual factors, neural information processing, and variability in brain microstructure. Many attempts have been made to see the role of spatial representation in the navigational ability, and the individual differences have been identified in the neural substrate. But, there is also a need to address the influence of planning, memory on navigational ability. The present study aims to evaluate relations of aforementioned factors in the navigational ability. Total 30 participants volunteered in the study of a virtual shopping complex and subsequently were classified into good and bad navigators based on their performances. The result showed that planning ability was the most correlated factor for the navigational ability and also the discriminating factor between the good and bad navigators. There was also found the correlations between spatial memory recall and navigational ability. However, non-verbal episodic memory and spatial memory recall were also found to be correlated with the learning variable. This study attempts to identify differences between people with more and less navigational ability on the basis of planning and memory.

Keywords: memory, planning navigational ability, virtual reality

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Authors: Faribaebrahimi, Mehdi Ghorbani, Mohsen Mohsenisaravi

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Ecosystem management is complex because of natural and human issues. To cope with this complexity water governance is recommended since it involves all stakeholders including people, governmental and non-governmental organization who related to environmental systems. Water governance emphasizes on water co-management through consideration of all the stakeholders in the form of social and organizational network. In this research, to illustrate indicators of water governance in Dorood watershed, in Shemiranat region of Iran, social network analysis had been applied. The results revealed that social cohesion among pastoralists in Dorood is medium because of trust links, while link sustainability is weak to medium. According to the results, some pastoralists have high social power and therefore are key actors in the utilization network, regarding to centrality index and trust links. The results also demonstrated that Agricultural Development Office and (Shemshak-Darbandsar Islamic) Council are key actors in rangeland co-management, based on centrality index in rangeland institutional network at regional scale in Shemiranat district.

Keywords: social network analysis, water governance, organizational network, water co-management

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Authors: Bawa Inalegwu, Jacob A. Jato, Ovye Akyengo, John Akighir

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All humans will experience some type of wound in every lifetime. Most wounds heal quickly with little or no attention but, many people suffer from wounds that are complex and/or persistent therefore posing a burden. This study was designed to assess the efficacy of Mitrcarpus villous ointment against honey in diabetic rats. To achieve this, percentage wound closure and collagen assessments were used to express treatment efficacy. Results show that on day 21, rats treated with M. villosus ointment had the highest percentage closure (94.5%) while honey treated and non-treated recorded 90.0% and 83.3% respectively. Similarly, a significant difference (p < 0.05) was observed on day 21 in the total collagen deposited in wounds of diabetic rats (10.57 ± 0.7) and M. villous ointment treated wounds (11.77 ± 0.4) as compared with the non-treated diabetic rats. M. villosus ointment was efficacious in healing wounds in diabetic rats and heals wound faster than honey and may hold potential for wound healing in diabetes mellitus sufferers. However, the wound healing mechanism of this ointment

Keywords: collagen, diabetic rats, honey, Mitracarpus villosus, ointment, wound healing

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Authors: Guillaume Bélanger, Jean-Philippe Fontaine, Clémence Hauduc

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There is an undeniable thirst from organic chemists and from the pharmaceutical industry to access complex alkaloids with short syntheses. While medicinal chemists are interested in the fascinating wide range of biological properties of alkaloids, synthetic chemists are rather interested in finding new routes to access these challenging natural products of often low availability from nature. To synthesize complex polycyclic cores of natural products, reaction cascades or sequences performed one-pot offer a neat advantage over classical methods for their rapid increase in molecular complexity in a single operation. In counterpart, reaction cascades need to be run on substrates bearing all the required functional groups necessary for the key cyclizations. Chemoselectivity is thus a major issue associated with such a strategy, in addition to diastereocontrol and regiocontrol for the overall transformation. In the pursuit of synthetic efficiency, our research group developed an innovative one-pot transformation of linear substrates into bi- and tricyclic adducts applied to the construction of Aspidospermatan-type alkaloids. The latter is a rich class of indole alkaloids bearing a unique bridged azatricyclic core. Despite many efforts toward the synthesis of members of this family, efficient and versatile synthetic routes are still coveted. Indeed, very short, non-racemic approaches are rather scarce: for example, in the cases of aspidospermidine and aspidospermine, syntheses are all fifteen steps and over. We envisaged a unified approach to access several members of the Aspidospermatan alkaloids family. The key sequence features a highly chemoselective formamide activation that triggers a Vilsmeier-Haack cyclization, followed by an azomethine ylide generation and intramolecular cycloaddition. Despite the high density and variety of functional groups on the substrates (electron-rich and electron-poor alkenes, nitrile, amide, ester, enol ether), the sequence generated three new carbon-carbon bonds and three rings in a single operation with good yield and high chemoselectivity. A detailed study of amide, nucleophile, and dipolarophile variations to finally get to the successful combination required for the key transformation will be presented. To complete the indoline fragment of the natural products, we developed an original approach. Indeed, all reported routes to Aspidospermatan alkaloids introduce the indoline or indole early in the synthesis. In our work, the indoline needs to be installed on the azatricyclic core after the key cyclization sequence. As a result, typical Fischer indolization is not suited since this reaction is known to fail on such substrates. We thus envisaged a unique photocatalyzed decarboxylative radical cyclization. The development of this reaction as well as the scope and limitations of the methodology, will also be presented. The original Vilsmeier-Haack and azomethine ylide cyclization sequence as well as the new photocatalyzed decarboxylative radical cyclization will undoubtedly open access to new routes toward polycyclic indole alkaloids and derivatives of pharmaceutical interest in general.

Keywords: Aspidospermatan alkaloids, azomethine ylide cycloaddition, decarboxylative radical cyclization, indole and indoline synthesis, one-pot sequential cyclizations, photocatalysis, Vilsmeier-Haack Cyclization

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Authors: Sina Saadati

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Multiprocessors Systems-On-Chips (MPSOCs) are used widely on modern computers to execute sophisticated software and applications. These systems include different processors for distinct aims. Most of the proposed task schedulers attempt to improve energy consumption. In some schedulers, the processor's temperature is considered to increase the system's reliability and performance. In this research, we have proposed a new method for thermal-aware task scheduling which is based on an artificial neural network (ANN). This method enables us to consider a variety of factors in the scheduling process. Some factors like ambient temperature, season (which is important for some embedded systems), speed of the processor, computing type of tasks and have a complex relationship with the final temperature of the system. This Issue can be solved using a machine learning algorithm. Another point is that our solution makes the system intelligent So that It can be adaptive. We have also shown that the computational complexity of the proposed method is cheap. As a consequence, It is also suitable for battery-powered systems.

Keywords: task scheduling, MOSOC, artificial neural network, machine learning, architecture of computers, artificial intelligence

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Authors: Xin Jie Li

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Due to population agglomeration, huge scale, and complex activities, megacities have become risk centers. To resist the risks brought by development uncertainty, the construction of resilient cities has become a common strategic choice for megacities. As a key link in promoting the modernization of the national governance system and governance capacity, optimizing the layout of national land space that focuses on ecology, production, and life and improving the rationality of spatial resource allocation are conducive to fundamentally promoting the resilience construction of megacities. Therefore, based on the perspective of territorial space governance, this article explores the potential risks faced by the territorial space of megacities and proposes possible paths for the resilience construction of megacities from four aspects: promoting the construction of a resilience system throughout the entire life cycle, constructing a disaster prevention and control system with ecological resilience, creating an industrial spatial pattern with production resilience, and enhancing community resilience to anchor the front line of risk response in megacities.

Keywords: mega cities, potential risks, resilient city construction, territorial and spatial governance

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Authors: Redouane Tlemsani, Redouane, Belkacem Kouninef, Abdelkader Benyettou

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In this paper, our system is a Markovien system which we can see it like a Dynamic Bayesian Networks. One of the major interests of these systems resides in the complete training of the models (topology and parameters) starting from training data. The Bayesian Networks are representing models of dubious knowledge on complex phenomena. They are a union between the theory of probability and the graph theory in order to give effective tools to represent a joined probability distribution on a set of random variables. The representation of knowledge bases on description, by graphs, relations of causality existing between the variables defining the field of study. The theory of Dynamic Bayesian Networks is a generalization of the Bayesians networks to the dynamic processes. Our objective amounts finding the better structure which represents the relationships (dependencies) between the variables of a dynamic bayesian network. In applications in pattern recognition, one will carry out the fixing of the structure which obliges us to admit some strong assumptions (for example independence between some variables).

Keywords: Arabic on line character recognition, dynamic Bayesian network, pattern recognition, networks

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Authors: Thilina Ranaweera, Enes Makalic, John L. Hopper, Adrian Bickerstaffe

Abstract:

Data are the primary asset of biomedical researchers, and the engine for both discovery and research translation. As the volume and complexity of research datasets increase, especially with new technologies such as large single nucleotide polymorphism (SNP) chips, so too does the requirement for software to manage, process and analyze the data. Researchers often need to execute complicated queries and conduct complex analyzes of large-scale datasets. Existing tools to analyze such data, and other types of high-dimensional data, unfortunately suffer from one or more major problems. They typically require a high level of computing expertise, are too simplistic (i.e., do not fit realistic models that allow for complex interactions), are limited by computing power, do not exploit the computing power of large-scale parallel architectures (e.g. supercomputers, GPU clusters etc.), or are limited in the types of analysis available, compounded by the fact that integrating new analysis methods is not straightforward. Solutions to these problems, such as those developed and implemented on parallel architectures, are currently available to only a relatively small portion of medical researchers with access and know-how. The past decade has seen a rapid expansion of data management systems for the medical domain. Much attention has been given to systems that manage phenotype datasets generated by medical studies. The introduction of heterogeneous genomic data for research subjects that reside in these systems has highlighted the need for substantial improvements in software architecture. To address this problem, we have developed SPARK, an enabling and translational system for medical research, leveraging existing high performance computing resources, and analysis techniques currently available or being developed. It builds these into The Ark, an open-source web-based system designed to manage medical data. SPARK provides a next-generation biomedical data management solution that is based upon a novel Micro-Service architecture and Big Data technologies. The system serves to demonstrate the applicability of Micro-Service architectures for the development of high performance computing applications. When applied to high-dimensional medical datasets such as genomic data, relational data management approaches with normalized data structures suffer from unfeasibly high execution times for basic operations such as insert (i.e. importing a GWAS dataset) and the queries that are typical of the genomics research domain. SPARK resolves these problems by incorporating non-relational NoSQL databases that have been driven by the emergence of Big Data. SPARK provides researchers across the world with user-friendly access to state-of-the-art data management and analysis tools while eliminating the need for high-level informatics and programming skills. The system will benefit health and medical research by eliminating the burden of large-scale data management, querying, cleaning, and analysis. SPARK represents a major advancement in genome research technologies, vastly reducing the burden of working with genomic datasets, and enabling cutting edge analysis approaches that have previously been out of reach for many medical researchers.

Keywords: biomedical research, genomics, information systems, software

Procedia PDF Downloads 269

Authors: Anitha Kandasamy, Thirumurugan Ramaiah

Abstract:

Interestingly, organic materials exhibit large optical nonlinearity with quick responses and having the flexibility of molecular tailoring using computational modelling and favourable synthetic methodologies. Pyridine based organic compounds and carboxylic acid contained aromatic compounds play a crucial role in crystal engineering of NCS complexes that displays admirable optical nonlinearity with fast response and favourable physicochemical properties such as low dielectric constant, wide optical transparency and large laser damage threshold value requires for optoelectronics device applications. Based on these facts, it was projected to form an acentric molecule of π-conjugated system interaction with appropriately replaced electron donor and acceptor groups for achieving higher SHG activity in which quinoline-2-carboyxlic acid is chosen as an electron acceptor and capable of acting as an acid as well as a base molecule, while 2-amino-4-methylpyridine is used as an electron donor and previously employed in numerous proton transfer complexes for synthesis of NLO materials for optoelectronic applications. 2-amino-4-mehtylpyridinium quinoline-2-carboxylate molecular complex (2AQ) is having π-donor-acceptor groups in which 2-amino-4-methylpyridine donates one of its electron to quinoline -2-carboxylic acid thereby forming a protonated 2-amino-4-methyl pyridinium moiety and mono ionized quinoline-2-carboxylate moiety which are connected via N-H…O intermolecular interactions with non-centrosymmetric crystal packing arrangement at microscopic scale is accountable to the enhancement of macroscopic second order NLO activity. The 2AQ crystal was successfully grown by a slow evaporation solution growth technique and its structure was determined in orthorhombic crystal system with acentric, P212121, space group. Hirshfeld surface analysis reveals that O…H intermolecular interactions primarily contributed with 31.0 % to the structural stabilization of 2AQ. The molecular structure of title compound has been confirmed by 1H and 13C NMR spectral studies. The vibrational modes of functional groups present in 2AQ have been assigned by using FTIR and FT-Raman spectroscopy. The grown 2AQ crystal exhibits high optical transparency with lower cut-off wavelength (275 nm) within the region of 275-1500 nm. The laser study confirmed that 2AQ exhibits high SHG efficiency of 12.6 times greater than that of KDP. TGA-DTA analysis revealed that 2AQ crystal had a thermal stability of 223 °C. The low dielectric constant and low dielectric loss at higher frequencies confirmed good crystalline nature with fewer defects of grown 2AQ crystal. The grown crystal exhibits soft material and positive photoconduction behaviour. Mulliken atomic distribution and FMOs analysis suggested that the strong intermolecular hydrogen bonding which lead to the enhancement of NLO activity. These properties suggest that 2AQ crystal is a suitable material for optoelectronic and laser frequency conversion applications.

Keywords: crystal growth, NLO activity, proton transfer complex, quantum chemical investigation

Procedia PDF Downloads 121

Authors: Elitsa Kolentsova, Dimitar Dimitrov, Krasimir Ivanov

Abstract:

The catalytic oxidation of methanol to formaldehyde is an important industrial process in which the waste gas in addition to CO contains methanol and dimethyl ether (DME). Evaluation of the possibility of removing the harmful components from the exhaust gasses needs a more complex investigation. Our previous work indicates that supported Cu-Mn oxide catalysts are promising for effective deep oxidation of these compounds. This work relates to the catalyst, comprising copper-manganese spinel, coated on carrier γ-Al₂O₃. The effect of preparation conditions on the active component composition and activity behavior of the catalysts is discussed. Different organometallic compounds on the base of four natural amino acids (Glycine, Alanine, Valine, Leucine) as precursors were used for the preparation of catalysts with Cu/Mn molar ratio 1:5. X-Ray and TEM analysis were performed on the catalyst’s bulk, and surface composition and the specific surface area was determined by BET method. The results obtained show that the activity of the catalysts increase up to 40% although there are some specific features, depending on the nature of the amino acid and the oxidized compound.

Keywords: Cu-Mn/γ-Al₂O₃, CO and VOCs oxidation, heterogeneous catalysis, amino acids

Procedia PDF Downloads 239