Search results for: Lyapunov functional

Authors: Hema C. R., Paulraj M. P., S. Yaacob, A. H. Adom, R. Nagarajan

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Motor imagery classification provides an important basis for designing Brain Machine Interfaces [BMI]. A BMI captures and decodes brain EEG signals and transforms human thought into actions. The ability of an individual to control his EEG through imaginary mental tasks enables him to control devices through the BMI. This paper presents a method to design a four state BMI using EEG signals recorded from the C3 and C4 locations. Principle features extracted through principle component analysis of the segmented EEG are analyzed using two novel classification algorithms using Elman recurrent neural network and functional link neural network. Performance of both classifiers is evaluated using a particle swarm optimization training algorithm; results are also compared with the conventional back propagation training algorithm. EEG motor imagery recorded from two subjects is used in the offline analysis. From overall classification performance it is observed that the BP algorithm has higher average classification of 93.5%, while the PSO algorithm has better training time and maximum classification. The proposed methods promises to provide a useful alternative general procedure for motor imagery classification

Keywords: Motor Imagery, Brain Machine Interfaces, Neural Networks, Particle Swarm Optimization, EEG signal processing.

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Authors: L. Major, J. M. Lackner, M. Dyner, B. Major

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Development of new generation bio-tribological, multilayer coatings opens an avenue for fabrication of future hightech functional surfaces. In the presented work, nano-composite, Cr/CrN+[Cr/ a-C:H implanted by metallic nanocrystals] multilayer coatings have been developed for surface protection of medical tools. Thin films were fabricated by a hybrid Pulsed Laser Deposition technique. Complex microstructure analysis of nanomultilayer coatings, subjected to mechanical and biological tests, were performed by means of transmission electron microscopy (TEM). Microstructure characterization revealed the layered arrangement of Cr23C6 nanoparticles in multilayer structure. Influence of deposition conditions on bio-tribological properties of the coatings was studied. The bio-tests were used as a screening tool for the analyzed nanomultilayer coatings before they could be deposited on medical tools. Bio-medical tests were done using fibroblasts. The mechanical properties of the coatings were investigated by means of a ball-ondisc mechanical test. The micro hardness was done using Berkovich indenter. The scratch adhesion test was done using Rockwell indenter. From the bio-tribological point of view, the optimal properties had the C106_1 material.

Keywords: Bio-tribological coatings, cell-material interaction, hybrid PLD, tribology.

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Authors: H. A. Lopez-Aguilar, E. A. Huerta-Reynoso, J. A. Gomez, J. A. Duarte-Moller, A. Perez-Hernandez

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Environmental performance of artisanal brick manufacture was studied by Lifecycle Assessment (LCA) methodology and Computational Fluid Dynamics (CFD) analysis in Mexico. The main objective of this paper is to evaluate the environmental impact during artisanal brick manufacture. LCA cradle-to-gate approach was complemented with CFD analysis to carry out an Environmental Impact Assessment (EIA). The lifecycle includes the stages of extraction, baking and transportation to the gate. The functional unit of this study was the production of a single brick in Chihuahua, Mexico and the impact categories studied were carcinogens, respiratory organics and inorganics, climate change radiation, ozone layer depletion, ecotoxicity, acidification/ eutrophication, land use, mineral use and fossil fuels. Laboratory techniques for fuel characterization, gas measurements in situ, and AP42 emission factors were employed in order to calculate gas emissions for inventory data. The results revealed that the categories with greater impacts are ecotoxicity and carcinogens. The CFD analysis is helpful in predicting the thermal diffusion and contaminants from a defined source. LCA-CFD synergy complemented the EIA and allowed us to identify the problem of thermal efficiency within the system.

Keywords: LCA, CFD, brick, artisanal.

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Authors: Radovan Holubek, Daynier Rolando Delgado Sobrino, Roman Ruzarovsky

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Current trends in manufacturing are characterized by production broadening, innovation cycle shortening, and the products having a new shape, material and functions. The production strategy focused on time needed change from the traditional functional production structure to flexible manufacturing cells and lines. Production by automated manufacturing system (AMS) is one of the most important manufacturing philosophies in the last years. The main goals of the project we are involved in lies on building a laboratory in which will be located a flexible manufacturing system consisting of at least two production machines with NC control (milling machines, lathe). These machines will be linked to a transport system and they will be served by industrial robots. Within this flexible manufacturing system a station for the quality control consisting of a camera system and rack warehouse will be also located. The design, analysis and improvement of this manufacturing system, specially with a special focus on the communication among devices constitute the main aims of this paper. The key determining factors for the manufacturing system design are: the product, the production volume, the used machines, the disposable manpower, the disposable infrastructure and the legislative frame for the specific cases.

Keywords: Paperless manufacturing, flexible manufacturing, robotized manufacturing, material flow, iCIM.

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Authors: Anders Thorsèn, Behrooz Sangchoolie, Peter Folkesson, Ted Strandberg

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As more parts of the power grid become connected to the internet, the risk of cyberattacks increases. To identify the cybersecurity threats and subsequently reduce vulnerabilities, the common practice is to carry out a cybersecurity risk assessment. For safety classified systems and products, there is also a need for safety risk assessments in addition to the cybersecurity risk assessment to identify and reduce safety risks. These two risk assessments are usually done separately, but since cybersecurity and functional safety are often related, a more comprehensive method covering both aspects is needed. Some work addressing this has been done for specific domains like the automotive domain, but more general methods suitable for, e.g., Intelligent Distributed Grids, are still missing. One such method from the automotive domain is the Security-Aware Hazard Analysis and Risk Assessment (SAHARA) method that combines safety and cybersecurity risk assessments. This paper presents an approach where the SAHARA method has been modified to be more suitable for larger distributed systems. The adapted SAHARA method has a more general risk assessment approach than the original SAHARA. The proposed method has been successfully applied on two use cases of an intelligent distributed grid.

Keywords: Intelligent distribution grids, threat analysis, risk assessment, safety, cybersecurity.

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Authors: N. Mahendran, R. Madhuranthi

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Wireless sensor networks (WSNs), are constantly in demand to process information more rapidly with less energy and area cost. Presently, processor based solutions have difficult to achieve high processing speed with low-power consumption. This paper presents a simple and accurate data processing scheme for low power wireless sensor node, based on reduced number of processing element (PE). The presented model provides a simple recursive structure (SRS) to process the sampled data in the wireless sensor environment and to reduce the power consumption in wireless sensor node. Based on this model, to process the incoming samples and produce a smaller amount of data sufficient to reconstruct the original signal. The ModelSim simulator used to simulate SRS structure. Functional simulation is carried out for the validation of the presented architecture. Xilinx Power Estimator (XPE) tool is used to measure the power consumption. The experimental results show the average power consumption of 91 mW; this is 42% improvement compared to the folded tree architecture.

Keywords: Power consumption, energy efficiency, low power WSN node, recursive structure, sleep/wake scheduling.

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Authors: Pratap Sriram Sundar, Chandan Chowdhury, Sagar Kamarthi

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Nature has perfected her designs over 3.5 billion years of evolution. Research fields such as biomimicry, biomimetics, bionics, bio-inspired computing, and nature-inspired designs have explored nature-made artifacts and systems to understand nature’s mechanisms and intelligence. Learning from nature, the researchers have generated sustainable designs and innovation in a variety of fields such as energy, architecture, agriculture, transportation, communication, and medicine. Axiomatic design offers a method to judge if a design is good. This paper analyzes design aspects of one of the nature’s amazing object: chicken egg. The functional requirements (FRs) of components of the object are tabulated and mapped on to nature-chosen design parameters (DPs). The ‘independence axiom’ of the axiomatic design methodology is applied to analyze couplings and to evaluate if eggs’ design is good (i.e., uncoupled design) or bad (i.e., coupled design). The analysis revealed that eggs design is a good design, i.e., uncoupled design. This approach can be applied to any nature’s artifacts to judge whether their design is a good or a bad. This methodology is valuable for biomimicry studies. This approach can also be a very useful teaching design consideration of biology and bio-inspired innovation.

Keywords: Uncoupled design, axiomatic design, nature design, design evaluation.

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Authors: Dennys Robson Girardi, Hugo Bulegon, Claudia Maria Moro Barra

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Leprosy is an infectious disease caused by Mycobacterium Leprae, this disease, generally, compromises the neural fibers, leading to the development of disability. Disabilities are changes that limit daily activities or social life of a normal individual. When comes to leprosy, the study of disability considered the functional limitation (physical disabilities), the limitation of activity and social participation, which are measured respectively by the scales: EHF, SALSA and PARTICIPATION SCALE. The objective of this work is to propose an on-line monitoring of leprosy patients, which is based on information scales EHF, SALSA and PARTICIPATION SCALE. It is expected that the proposed system is applied in monitoring the patient during treatment and after healing therapy of the disease. The correlations that the system is between the scales create a variety of information, presented the state of the patient and full of changes or reductions in disability. The system provides reports with information from each of the scales and the relationships that exist between them. This way, health professionals, with access to patient information, can intervene with techniques for the Prevention of Disability. Through the automated scale, the system shows the level of the patient and allows the patient, or the responsible, to take a preventive measure. With an online system, it is possible take the assessments and monitor patients from anywhere.

Keywords: Leprosy, Medical Informatics, Decision SupportSystem, Disability.

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Authors: Ali Salehipour

Abstract:

Studying literature theme in the fields of tourism and sustainable development and its importance in today world and their criteria in architecture, here in this article we will also study the area where the selected site is located; beside the Aab-Ask Village located in Larijan region in Mazandaran province on the way to Haraz – one of the tourism routes of Iran. After these studies by analyzing the site, its strong potentials – such as mineral water springs (hot springs), geothermal, landscapes and ideal climate - as a tourist attraction spot in the region, and considering sustainable development criteria – with regard to limits and available facilities – a plan was offered that could change the region to provide the needs of local people and in addition change it to a place where tourism services is offered to the visitors and make it an acceptable sample of stable building in Iran. Finally the reason to make design for this complex is recovery of natural and historical values of Aab-Ask area regarding development and sustainable architecture criteria in the form of a functional sample which can be a suitable place to fulfill this goal for having lots of strong points in attracting cultural and sustainable tourist.

Keywords: Sustainable Architecture, Tourist Complex, Development, Landscape Preservation, Culture

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Authors: Khryslyn Araño, Dela Cruz, Michael Leo, Dela Pena, Eden May, Leslie Joy Diaz

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Montmorillonite (MMT) is a very abundant clay mineral and is versatile such that it can be chemically or physically altered by changing the ions between the sheets of its layered structure. This clay mineral can be prepared into functional nanoparticles that can be used as fillers in other nanomaterials such as nanofibers to achieve special properties. In this study, two types of iron-modified MMT, Iron-MMT (FeMMT) and Zero Valent Iron-MMT (ZVIMMT) were synthesized via ion exchange technique. The modified clay was incorporated in polymer nanofibers which were produced using a process called electrospinning. ICP analysis confirmed that clay modification was successful where there is an observed decrease in the concentration of Na and an increase in the concentration of Fe after ion exchange. XRD analysis also confirmed that modification took place because of the changes in the d-spacing of Na-MMT from 11.5 Å to 13.6 Å and 12.6 Å after synthesis of FeMMT and ZVIMMT, respectively. SEM images of the electrospun nanofibers revealed that the ZVIMMT-filled fibers have a smaller average diameter than the FeMMT-filled fibers because of the lower resistance of the suspensions of the former to the elongation force from the applied electric field. The resistance to the electric field was measured by getting the bulk voltage of the suspensions.

Keywords: Electrospinning, nanofibers, montmorillonite.

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Authors: Suma. V., T. R. Gopalakrishnan Nair

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Defect prevention is the most vital but habitually neglected facet of software quality assurance in any project. If functional at all stages of software development, it can condense the time, overheads and wherewithal entailed to engineer a high quality product. The key challenge of an IT industry is to engineer a software product with minimum post deployment defects. This effort is an analysis based on data obtained for five selected projects from leading software companies of varying software production competence. The main aim of this paper is to provide information on various methods and practices supporting defect detection and prevention leading to thriving software generation. The defect prevention technique unearths 99% of defects. Inspection is found to be an essential technique in generating ideal software generation in factories through enhanced methodologies of abetted and unaided inspection schedules. On an average 13 % to 15% of inspection and 25% - 30% of testing out of whole project effort time is required for 99% - 99.75% of defect elimination. A comparison of the end results for the five selected projects between the companies is also brought about throwing light on the possibility of a particular company to position itself with an appropriate complementary ratio of inspection testing.

Keywords: Defect Detection and Prevention, Inspections, Software Engineering, Software Process, Testing.

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Authors: Benjamin Gorry, Zezhi Chen, Kevin Hammond, Andy Wallace, Greg Michaelson

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This paper describes new computer vision algorithms that have been developed to track moving objects as part of a long-term study into the design of (semi-)autonomous vehicles. We present the results of a study to exploit variable kernels for tracking in video sequences. The basis of our work is the mean shift object-tracking algorithm; for a moving target, it is usual to define a rectangular target window in an initial frame, and then process the data within that window to separate the tracked object from the background by the mean shift segmentation algorithm. Rather than use the standard, Epanechnikov kernel, we have used a kernel weighted by the Chamfer distance transform to improve the accuracy of target representation and localization, minimising the distance between the two distributions in RGB color space using the Bhattacharyya coefficient. Experimental results show the improved tracking capability and versatility of the algorithm in comparison with results using the standard kernel. These algorithms are incorporated as part of a robot test-bed architecture which has been used to demonstrate their effectiveness.

Keywords: Hume, functional programming, autonomous vehicle, pioneer robot, vision.

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Authors: Roman Ružarovský, Radovan Holubek, Peter Košťál

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The current trend of increasing quality and demands of the final product is affected by time analysis of the entire manufacturing process. The primary requirement of manufacturing is to produce as many products as soon as possible, at the lowest possible cost, but of course with the highest quality. Such requirements may be satisfied only if all the elements entering and affecting the production cycle are in a fully functional condition. These elements consist of sensory equipment and intelligent control elements that are essential for building intelligent manufacturing systems. The intelligent manufacturing paradigm includes a new approach to production system structure design. Intelligent behaviors are based on the monitoring of important parameters of system and its environment. The flexible reaction to changes. The realization and utilization of this design paradigm as an "intelligent manufacturing system" enables the flexible system reaction to production requirement as soon as environmental changes too. Results of these flexible reactions are a smaller layout space, be decreasing of production and investment costs and be increasing of productivity. Intelligent manufacturing system itself should be a system that can flexibly respond to changes in entering and exiting the process in interaction with the surroundings.

Keywords: Sensory equipment, intelligent manufacturing systems, manufacturing process, control system, smart automation.

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Authors: Marwa H. Mahmoud, Ferial M. Abu-Salem

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Soy protein is a common ingredient added to processed meats to enhance its functional characteristics. In our study, soybean products (fermented soy Natto and protein hydrolysate) containing hydrolyzed peptides and amino acids, with or without ascorbic acid were added to burger in order to improve its quality characteristics. Results showed that soy additives significantly increased moisture and protein content and reduced (P < 0.05) fat values. Ash content did not affect with Natto additive. Color tools, lightness and yellowness were higher (P<0.05) for the samples with added soybean products (with or without ascorbic acid), while redness decreased. Both of protein hydrolysate and ascorbic acid increased the softiness while, Natto additive increased the hardness of samples. Natto & protein hydrolysate additives increased the total volatile basic nitrogen while, samples with ascorbic acid decreased TVBN values at significant levels. Also, soy additives were improved both of cooking quality and sensory evaluation of the burger in order to prove that soy products actually affect the quality characteristics of meat products.

Keywords: Burger, protein hydrolysate, fermented soy Natto, quality characterization.

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Authors: Shibly Abdullah

Abstract:

This paper provides an overview of fundamental philosophical and functional differences in conventional and Islamic accounting. The aim of this research is to undertake a detailed analysis focus on specific illustrations drawn from both these systems and highlight how these differences implicate in recording financial transactions and preparation of financial reports for a range of stakeholders. Accounting as being universally considered as a platform for providing a ‘true and fair’ view of corporate entities can be challenged in the current world view, as the business environment has evolved and transformed significantly. Growth of the non-traditional corporate entity such as Islamic financial institutions, fundamentally questions the applicability of conventional accounting standards in preparation of Shariah-compliant financial reporting. Coupled with this, there are significant concerns about the wider applicability of Islamic accounting standards and framework in order to achieve reporting practices satisfying the information needs generally. Against the backdrop of such a context, this paper raises fundamental question as to how potential convergence could be achieved between these two systems in order to provide users’ a transparent and comparable state of financial information resulting in an alternative framework of financial reporting.

Keywords: Accounting, Islamic accounting, conventional accounting, corporate reporting.

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Authors: K. Maria Agnes, J. Joshua Bapu

Abstract:

This paper impart the design and testing of Nanotechnology based sequential circuits using multiplexer conservative QCA (MX-CQCA) logic gates, which is easily testable using only two vectors. This method has great prospective in the design of sequential circuits based on reversible conservative logic gates and also smashes the sequential circuits implemented in traditional gates in terms of testability. Reversible circuits are similar to usual logic circuits except that they are built from reversible gates. Designs of multiplexer conservative QCA logic based two vectors testable double edge triggered (DET) sequential circuits in VHDL language are also accessible here; it will also diminish intricacy in testing side. Also other types of sequential circuits such as D, SR, JK latches are designed using this MX-CQCA logic gate. The objective behind the proposed design methodologies is to amalgamate arithmetic and logic functional units optimizing key metrics such as garbage outputs, delay, area and power. The projected MX-CQCA gate outshines other reversible gates in terms of the intricacy, delay.

Keywords: Conservative logic, Double edge triggered (DET) flip flop, majority voters, MX-CQCA gate, reversible logic, Quantum dot Cellular automata.

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Authors: S.P.Gautam, P.S.Bundela, R.K. Jain, V. N. Tripathi

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The manufacturing transmission line tower parts has being generated hazardous waste which is required proper disposal of waste for protection of land pollution. Manufacturing Process in the manufacturing of steel angle, plates, pipes, channels are passes through conventional, semi automatic and CNC machines for cutting, marking, punching, drilling, notching, bending operations. All fabricated material Coated with thin layer of Zinc in Galvanizing plant where molten zinc is used for coating. Prior to Galvanizing, chemical like 33% concentrated HCl Acid, ammonium chloride and d-oil being used for pretreatment of iron. The bath of water with sodium dichromate is used for cooling and protection of the galvanized steel. For the heating purpose the furnace oil burners are used. These above process the Zinc dross, Zinc ash, ETP sludge and waste pickled acid generated as hazardous waste. The RPG has made captive secured land fill site, since 1997 since then it was using for disposal of hazardous waste after completion of SLF (Secured land fill) site. The RPG has raised height from ground level then now it is being used for disposal of waste as he designed the SLF after in creasing height of from GL it is functional without leach ate or adverse impacts in the environment.

Keywords: Disposal, Drilling, Fabricated. Hazardous waste, Punching.

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Authors: G. Aloisio, L. T. De Paolis, A. De Mauro, A. Mongelli

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One of the essential requirements of a realistic surgical simulator is to reproduce haptic sensations due to the interactions in the virtual environment. However, the interaction need to be performed in real-time, since a delay between the user action and the system reaction reduces the immersion sensation. In this paper, a prototype of a coronary stent implant simulator is present; this system allows real-time interactions with an artery by means of a specific haptic device. To improve the realism of the simulation, the building of the virtual environment is based on real patients- images and a Web Portal is used to search in the geographically remote medical centres a virtual environment with specific features in terms of pathology or anatomy. The functional architecture of the system defines several Medical Centres in which virtual environments built from the real patients- images and related metadata with specific features in terms of pathology or anatomy are stored. The searched data are downloaded from the Medical Centre to the Training Centre provided with a specific haptic device and with the software necessary both to manage the interaction in the virtual environment. After the integration of the virtual environment in the simulation system it is possible to perform training on the specific surgical procedure.

Keywords: Medical Simulation, Web Portal, Virtual Reality.

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Authors: Riham A. Ragheb, Ingy M. Naguib

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Conservation and urban investment are a prerequisite to improve the quality of life. Since the historic street is a part of the economic system, it should be able to play an important role in the city development by upgrading all services, public open spaces and reuse of historical buildings and sites. Furthermore, historical conservation enriches the political, economic, social, cultural and functional aspects of the site. Rosetta has been selected as an area of study because it has a unique character due to its possession of a variety of monuments and historical buildings. The aim of this research is to analyze the existing situation of an historic street named El Sheikh Kandil, to be able to identify the potentials and problems. The paper gives a proposal for the redesign and reinvestment of the street and the reuse for the historical buildings to serve the community, users and visitors. Then, it concludes with recommendations to improve quality of life through the rehabilitation of the historical buildings and strengthening of the cultural and historical identity of the street. Rosetta city can benefit from these development proposals by preserving and revitalizing its unique character which leads to tourism development and benefits from the new investments.

Keywords: Adaptive reuse, heritage street, historic investment, restoration, urban design.

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Authors: Sabina Baraković, Dragan Jevtić, Jasmina Baraković Husić

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Wireless mobile communications have experienced the phenomenal growth through last decades. The advances in wireless mobile technologies have brought about a demand for high quality multimedia applications and services. For such applications and services to work, signaling protocol is required for establishing, maintaining and tearing down multimedia sessions. The Session Initiation Protocol (SIP) is an application layer signaling protocols, based on request/response transaction model. This paper considers SIP INVITE transaction over an unreliable medium, since it has been recently modified in Request for Comments (RFC) 6026. In order to help in assuring that the functional correctness of this modification is achieved, the SIP INVITE transaction is modeled and analyzed using Colored Petri Nets (CPNs). Based on the model analysis, it is concluded that the SIP INVITE transaction is free of livelocks and dead codes, and in the same time it has both desirable and undesirable deadlocks. Therefore, SIP INVITE transaction should be subjected for additional updates in order to eliminate undesirable deadlocks. In order to reduce the cost of implementation and maintenance of SIP, additional remodeling of the SIP INVITE transaction is recommended.

Keywords: Colored Petri Nets, SIP INVITE, state space, dead marking

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Authors: Manjeet Bansal, Diwan Singh, V.K.Garg, Pawan Rose

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The potential of economically cheaper cellulose containing natural materials like rice husk was assessed for nickel adsorption from aqueous solutions. The effects of pH, contact time, sorbent dose, initial metal ion concentration and temperature on the uptake of nickel were studied in batch process. The removal of nickel was dependent on the physico-chemical characteristics of the adsorbent, adsorbate concentration and other studied process parameters. The sorption data has been correlated with Langmuir, Freundlich and Dubinin-Radush kevich (D-R) adsorption models. It was found that Freundlich and Langmuir isotherms fitted well to the data. Maximum nickel removal was observed at pH 6.0. The efficiency of rice husk for nickel removal was 51.8% for dilute solutions at 20 g L-1 adsorbent dose. FTIR, SEM and EDAX were recorded before and after adsorption to explore the number and position of the functional groups available for nickel binding on to the studied adsorbent and changes in surface morphology and elemental constitution of the adsorbent. Pseudo-second order model explains the nickel kinetics more effectively. Reusability of the adsorbent was examined by desorption in which HCl eluted 78.93% nickel. The results revealed that nickel is considerably adsorbed on rice husk and it could be and economic method for the removal of nickel from aqueous solutions.

Keywords: Adsorption, nickel, SEM, EDAX.

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Authors: Zheng Zhang, Xin Chen, Guoqing Ding

Abstract:

Electronic apex locators (EAL) has been widely used clinically for measuring root canal working length with high accuracy, which is crucial for successful endodontic treatment. In order to maintain high accuracy in different measurement environments, this study presented a system for root canal length measurement based on multifrequency impedance method. This measuring system can generate a sweep current with frequencies from 100 Hz to 1 MHz through a direct digital synthesizer. Multiple impedance ratios with different combinations of frequencies were obtained and transmitted by an analog-to-digital converter and several of them with representatives will be selected after data process. The system analyzed the functional relationship between these impedance ratios and the distance between the file and the apex with statistics by measuring plenty of teeth. The position of the apical foramen can be determined by the statistical model using these impedance ratios. The experimental results revealed that the accuracy of the system based on multifrequency impedance ratios method to determine the position of the apical foramen was higher than the dual-frequency impedance ratio method. Besides that, for more complex measurement environments, the performance of the system was more stable.

Keywords: Root canal length, apex locator, multifrequency impedance, sweep frequency.

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Authors: Aditi Shukla, Ambarish S. Vidyarthi, Subir Samanta

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The worldwide prevalence of H3N2 influenza virus and its increasing resistance to the existing drugs necessitates for the development of an improved/better targeting anti-influenza drug. H3N2 influenza neuraminidase is one of the two membrane-bound proteins belonging to group-2 neuraminidases. It acts as key player involved in viral pathogenicity and hence, is an important target of anti-influenza drugs. Oseltamivir is one of the potent drugs targeting this neuraminidase. In the present work, we have taken subtype N2 neuraminidase as the receptor and probable analogs of oseltamivir as drug molecules to study the protein-drug interaction in anticipation of finding efficient modified candidate compound. Oseltamivir analogs were made by modifying the functional groups using Marvin Sketch software and were docked using Schrodinger-s Glide. Oseltamivir analog 10 was detected to have significant energy value (16% less compared to Oseltamivir) and could be the probable lead molecule. It infers that some of the modified compounds can interact in a novel manner with increased hydrogen bonding at the active site of neuraminidase and it might be better than the original drug. Further work can be carried out such as enzymatic inhibition studies; synthesis and crystallizing the drug-target complex to analyze the interactions biologically.

Keywords: H3N2 Influenza, Neuraminidase, Oseltamiviranalogs, structure based drug designing

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Authors: Yi-Zhong Weng, Chien-Kang Huang, Yu-Feng Huang, Chi-Yuan Yu, Darby Tien-Hao Chang

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Search for a tertiary substructure that geometrically matches the 3D pattern of the binding site of a well-studied protein provides a solution to predict protein functions. In our previous work, a web server has been built to predict protein-ligand binding sites based on automatically extracted templates. However, a drawback of such templates is that the web server was prone to resulting in many false positive matches. In this study, we present a sequence-order constraint to reduce the false positive matches of using automatically extracted templates to predict protein-ligand binding sites. The binding site predictor comprises i) an automatically constructed template library and ii) a local structure alignment algorithm for querying the library. The sequence-order constraint is employed to identify the inconsistency between the local regions of the query protein and the templates. Experimental results reveal that the sequence-order constraint can largely reduce the false positive matches and is effective for template-based binding site prediction.

Keywords: Protein structure, binding site, functional prediction

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Authors: Georgios Linardatos, Miltiadis Zamparas, Vlasoula Bekiari, Georgios Bokias, Georgios Hotos

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Hydrogels are three-dimensional, hydrophilic, polymeric networks composed of homopolymers or copolymers and are insoluble in water due to the presence of chemical or physical cross-links. When hydrogels come in contact with aqueous solutions, they can effectively sorb and retain the dissolved substances, depending on the nature of the monomeric units comprising the hydrogel. For this reason, hydrogels have been proposed in several studies as water purification agents. At the present work anionic hydrogels bearing negatively charged –COO- groups were prepared and investigated. These gels are based on sodium acrylate (ANa), either homopolymerized (poly(sodiumacrylate), PANa) or copolymerized (P(DMAM-co-ANa)) with N,N Dimethylacrylamide (DMAM). The hydrogels were used to extract some model organic dyes from water. It is found that cationic dyes are strongly sorbed and retained by the hydrogels, while sorption of anionic dyes was negligible. In all cases it was found that both maximum sorption capacity and equilibrium binding constant varied from one dye to the other depending on the chemical structure of the dye, the presence of functional chemical groups and the hydrophobic-hydrophilic balance. Finally, the nonionic hydrogel of the homopolymer poly(N,Ndimethylacrylamide), PDMAM, was also used for reasons of comparison.

Keywords: Anionic organic hydrogels, sorption, organic dyes, water purification agents.

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Authors: Tariq Aljuneidi, Akif Asil Bulgak

Abstract:

An efficient remanufacturing network lead to an efficient design of sustainable manufacturing enterprise. In remanufacturing network, products are collected from the customer zone, disassembled and remanufactured at a suitable remanufacturing facility. In this respect, another issue to consider is how the returned product to be remanufactured, in other words, what is the best layout for such facility. In order to achieve a sustainable manufacturing system, Cellular Manufacturing System (CMS) designs are highly recommended, CMSs combine high throughput rates of line layouts with the flexibility offered by functional layouts (job shop). Introducing the CMS while designing a remanufacturing network will benefit the utilization of such a network. This paper presents and analyzes a comprehensive mathematical model for the design of Dynamic Cellular Remanufacturing Systems (DCRSs). In this paper, the proposed model is the first one to date that considers CMS and remanufacturing system simultaneously. The proposed DCRS model considers several manufacturing attributes such as multi period production planning, dynamic system reconfiguration, duplicate machines, machine capacity, available time for workers, worker assignments, and machine procurement, where the demand is totally satisfied from a returned product. A numerical example is presented to illustrate the proposed model.

Keywords: Cellular Manufacturing System, Remanufacturing, Mathematical Programming, Sustainability.

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Authors: Grace Sahaya Sheba, P. Omegala Priyakumari, M. Gunasekaran

Abstract:

L-asparagine admixture Paranitrophenol (LAPNP) single crystals were grown successfully by solution method with slow evaporation technique at room temperature. Crystals of size 12mm×5 mm×3mm have been obtained in 15 days. The grown crystals were Brown color and transparent. The solubility of the grown samples has been found out at various temperatures. The lattice parameters of the grown crystals were determined by X-ray diffraction technique. The reflection planes of the sample were confirmed by the powder X-ray diffraction study and diffraction peaks were indexed. Fourier transform infrared (FTIR) studies were used to confirm the presence of various functional groups in the crystals. UV–visible absorption spectrum was recorded to study the optical transparency of grown crystal. The nonlinear optical (NLO) property of the grown crystal was confirmed by Kurtz–Perry powder technique and a study of its second harmonic generation efficiency in comparison with potassium dihydrogen phosphate (KDP) has been made. The mechanical strength of the crystal was estimated by Vickers hardness test. The grown crystals were subjected to thermo gravimetric and differential thermal analysis (TG/DTA). The dielectric behavior of the sample was also studied

Keywords: Characterization, Microhardnes, Non-linear optical materials, Solution growth, Spectroscopy, XRD.

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Authors: Abada Ahmed, Hiadsi Said, Ouahrani Tarik, Amrani Bouhalouane, Amara Kadda

Abstract:

Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of full Heusler alloys Co2ZrGe and Co2NbB. These compounds are predicted to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000
B per formula unit, well consistent with the Slater-Pauling rule. Calculations show that both the alloys have an indirect band gaps, in the minority-spin channel of density of states (DOS), with values of 0.58 eV and 0.47 eV for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half-metallicity is found to be relatively robust against volume changes. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronic field.

Keywords: Electronic properties, full Heusler alloys, halfmetallic ferromagnets, magnetic properties.

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Authors: Jinliang Yuan, Jong-Sung Yu, Bengt Sundén

Abstract:

A computational fluid dynamics (CFD) model is developed for rechargeable non-aqueous electrolyte lithium-air batteries with a partial opening for oxygen supply to the cathode. Multi-phase transport phenomena occurred in the battery are considered, including dissolved lithium ions and oxygen gas in the liquid electrolyte, solid-phase electron transfer in the porous functional materials and liquid-phase charge transport in the electrolyte. These transport processes are coupled with the electrochemical reactions at the active surfaces, and effects of discharge reaction-generated solid Li2O2 on the transport properties and the electrochemical reaction rate are evaluated and implemented in the model. The predicted results are discussed and analyzed in terms of the spatial and transient distribution of various parameters, such as local oxygen concentration, reaction rate, variable solid Li2O2 volume fraction and porosity, as well as the effective diffusion coefficients. It is found that the effect of the solid Li2O2 product deposited at the solid active surfaces is significant on the transport phenomena and the overall battery performance.

Keywords: Computational Fluid Dynamics (CFD), Modeling, Multi-phase, Transport Phenomena, Lithium-air battery.

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Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

Abstract:

The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

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