Search results for: Integrated biology and chemistry

Authors: H. Bouhamed, A. Rebai, T. Lecroq, M. Jaoua

Abstract:

The objective of our work is to develop a new approach for discovering knowledge from a large mass of data, the result of applying this approach will be an expert system that will serve as diagnostic tools of a phenomenon related to a huge information system. We first recall the general problem of learning Bayesian network structure from data and suggest a solution for optimizing the complexity by using organizational and optimization methods of data. Afterward we proposed a new heuristic of learning a Multi-Entities Bayesian Networks structures. We have applied our approach to biological facts concerning hereditary complex illnesses where the literatures in biology identify the responsible variables for those diseases. Finally we conclude on the limits arched by this work.

Keywords: Data-organization, data-optimization, automatic knowledge discovery, Multi-Entities Bayesian networks, score merging.

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Authors: Qiying Zhang, Panpan Xu, Hui Qian

Abstract:

Groundwater is an important water resource in the world, especially in arid and semi-arid regions. In the present study, 141 groundwater samples were collected and analyzed for various physicochemical parameters to assess the irrigation water quality using six indicators (sodium percentage (Na%), sodium adsorption ratio (SAR), magnesium hazard (MH), residual sodium carbonate (RSC), permeability index (PI), and potential salinity (PS)). The results show that the patterns for the average cation and anion concentrations were in decreasing orders of Na^＋ > Mg^2＋ > Ca^2＋ > K^＋and SO₄^2－ > HCO₃^－ > Cl^－ > NO₃^－ > CO₃^2－ > F^－, respectively. The values of Na%, MH, and PS show that most of the groundwater samples are not suitable for irrigation. The same conclusion is drawn from the USSL and Wilcox diagrams. PS values indicate that Cl^－and SO₄^2－have a great influence on irrigation water in Jiaokou Irrigation District. RSC and PI values indicate that more than half of groundwater samples are suitable for irrigation. The finding is beneficial for the policymakers for future water management schemes to achieve a sustainable development goal.

Keywords: Irrigation water quality evaluation, groundwater chemistry, Jiaokou Irrigation District, Guanzhong Basin.

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Authors: Kelaiaia Mounia Samira, Labar Hocine, Bounaya Kamel, Kelaiaia Samia

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The development of the power electronics has allowed increasing the precision and reliability of the electrical trainings, thanks to the adjustable inverters, as the Pulse Wide Modulation (PWM) five level inverters, which is the object of study in this article.The authors treat the relation between the law order adopted for a given system and the oscillations of the electrical and mechanical parameters of which the tolerance depends on the process with which they are integrated (paper factory, lifting of the heavy loads, etc.).Thus the best choice of the regulation indexes allows us to achieve stability and safety training without investment (management of existing equipment).

Keywords: multi level inverter, PWM, Harmonics, oscillation, control

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Authors: A. Benarous, D. Karmed, R. Haoui, A. Liazid

Abstract:

The process for predicting the ballistic properties of a liquid rocket engine is based on the quantitative estimation of idealized performance deviations. In this aim, an equilibrium chemistry procedure is firstly developed and implemented in a Fortran routine. The thermodynamic formulation allows for the calculation of the theoretical performances of a rocket thrust chamber. In a second step, a computational fluid dynamic analysis of the turbulent reactive flow within the chamber is performed using a finite volume approach. The obtained values for the “quasi-real" performances account for both turbulent mixing and chemistryturbulence coupling. In the present work, emphasis is made on the combustion efficiency performance for which deviation is mainly due to radial gradients of static temperature and mixture ratio. Numerical values of the characteristic velocity are successfully compared with results from an industry-used code. The results are also confronted with the experimental data of a laboratory-scale rocket engine.

Keywords: JANAF methodology, Liquid rocket engine, Mascotte test-rig, Theoretical performances.

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Authors: Fei Wang, Kaimin Shih

Abstract:

The persistent nature of perfluorochemicals (PFCs) has attracted global concern in recent years. Perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA) are the most commonly found PFC compounds, and thus their fate and transport play key roles in PFC distribution in the natural environment. The kinetic behavior of PFOS or PFOA on boehmite consists of a fast adsorption process followed by a slow adsorption process which may be attributed to the slow transport of PFOS or PFOA into the boehmite pore surface. The adsorption isotherms estimated the maximum adsorption capacities of PFOS and PFOA on boehmite as 0.877 μg/m2 and 0.633 μg/m2, with the difference primarily due to their different functional groups. The increase of solution pH led to a moderate decrease of PFOS and PFOA adsorption, owing to the increase of ligand exchange reactions and the decrease of electrostatic interactions. The presence of NaCl in solution demonstrated negative effects for PFOS and PFOA adsorption on boehmite surfaces, with potential mechanisms being electrical double layer compression, competitive adsorption of chloride.

Keywords: PFOS, PFOA, adsorption, electrostatic interaction, ligand exchange

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Authors: Susana G. Azevedo, Helena Carvalho, V. Cruz –Machado

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The supply chains (SCs) have to appeal to new management paradigms to improve their ability to respond rapidly and cost effectively to unpredictable changes in markets and increasing levels of environmental turbulence, both in terms of volume and variety. In this highly demanded context, the Agile paradigm provides the capabilities to SC quickly adapt to changes in the market requirements. The purpose of this paper is to suggest an Agile Index to assess the agility of the automotive companies and corresponding SCs. The proposed integrated assessment model incorporates Agile practices weighted according to their importance to the automotive SC competitiveness and obtained from the Delphi technique.

Keywords: Agile, Supply chain management, Index, Delphitechnique.

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Authors: Anita D. Adamu, Winston M. W. Shakantu

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Maintenance management is no longer a stand-alone activity. It has now assumed a strategic position in many organisations that have recognised its importance in achieving primary goals and a key aspect of effective management of facilities. This paper aims at providing an understanding of the role and function of strategic management in creating and sustaining an effective maintenance management system in an organisation. The background provides an articulated concept and principles of strategic management. The theoretical concepts paved way for a conceptual framework for which strategic management can be integrated into the maintenance management system of an organisation to improve effectiveness in the maintenance of facilities.

Keywords: Facilities, maintenance management, organisations, strategic management.

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Authors: Aso Rahimzadegan, Seyyed Poorya Hosseini, Kamran Qaderi

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In this paper, we have proposed two novel plasmonic demultiplexing structures based on metal-insulator-metal surfaces which, beside their compact size, have a very good transmission spectrum. The impact of the key internal parameters on the transmission spectrum is numerically analyzed by using the twodimensional (2D) finite difference time domain (FDTD) method. The proposed structures could be used to develop ultra-compact photonic wavelength demultiplexing devices for large-scale photonic integration.

Keywords: Photonic integrated devices, Plasmonics, Metalinsulator- metal (MIM) waveguide, Demultiplexers.

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Authors: Asterios Leonidis, George Margetis, Margherita Antona, Constantine Stephanidis

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Ambient Intelligence (AmI) environments bring significant potential to exploit sophisticated computer technology in everyday life. In particular, the educational domain could be significantly enhanced through AmI, as personalized and adapted learning could be transformed from paper concepts and prototypes to real-life scenarios. In this paper, an integrated framework is presented, named ClassMATE, supporting ubiquitous computing and communication in a school classroom. The main objective of ClassMATE is to enable pervasive interaction and context aware education in the technologically augmented classroom of the future.

Keywords: Ambient intelligence, smart classroom, pervasivecomputing, education.

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Authors: Fabrizio Logiurato

Abstract:

Light Polarization has many technological applications, and its discovery was crucial to reveal the transverse nature of the electromagnetic waves. However, despite its fundamental and practical importance, in high school, this property of light is often neglected. This is a pity not only for its conceptual relevance, but also because polarization gives the possibility to perform many brilliant experiments with low cost materials. Moreover, the treatment of this matter lends very well to an interdisciplinary approach between art, biology and technology, which usually makes things more interesting to students. For these reasons, we have developed, and in this work, we introduce a laboratory on light polarization for high school and undergraduate students. They can see beautiful pictures when birefringent materials are set between two crossed polarizing filters. Pupils are very fascinated and drawn into by what they observe. The colourful images remind them of those ones of abstract painting or alien landscapes. With this multidisciplinary teaching method, students are more engaged and participative, and also, the learning process of the respective physics concepts is more effective.

Keywords: Light polarization, optical activity, multidisciplinary education, science and art.

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Authors: Hojat Heidari-Bafroui, Amer Charbaji, Constantine Anagnostopoulos, Mohammad Faghri

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Phosphorus is an essential nutrient for plant life which is most frequently found as phosphate in water. Once phosphate is found in abundance in surface water, a series of adverse effects on an ecosystem can be initiated. Therefore, a portable and reliable method is needed to monitor the phosphate concentrations in the field. In this paper, an inexpensive dip strip device with the ascorbic acid/antimony reagent dried on blotting paper along with wet chemistry is developed for the detection of low concentrations of phosphate in water. Ammonium molybdate and sulfuric acid are separately stored in liquid form so as to improve significantly the lifetime of the device and enhance the reproducibility of the device’s performance. The limit of detection and quantification for the optimized device are 0.134 ppm and 0.472 ppm for phosphate in water, respectively. The device’s shelf life, storage conditions, and limit of detection are superior to what has been previously reported for the paper-based phosphate detection devices.

Keywords: Phosphate detection, paper-based device, molybdenum blue method, colorimetric assay.

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Authors: D. Pérez, M. M. E. Alemany

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In this work, a framework to model the Supply Chain (SC) Collaborative Planning (CP) process is proposed. The main contributions of this framework concern 1) the presentation of the decision view, the most important one due to the characteristics of the process, jointly within the physical, organisation and information views, and 2) the simultaneous consideration of the spatial and temporal integration among the different supply chain decision centres. This framework provides the basis for a realistic and integrated perspective of the supply chain collaborative planning process and also the analytical modeling of each of its decisional activities.

Keywords: Collaborative Planning, Decision View, Distributed Decision-Making, Framework.

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Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

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Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular / nanoscale models is demonstrated.

Keywords: Cement composite, Mechanical Properties, Molecular Dynamics, Plasticizer additives.

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Authors: Mary L. G. S. Senna, Veruska C. Dutra, Afonso R. Aquino

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The study is in application and analysis of two tourism management tools that can contribute to making public managers decision: the Barometer of Tourism Sustainability (BTS) and the Ecological Footprint (EF). The results have shown that BTS allows you to have an integrated view of the tourism system, awakening to the need for planning of appropriate actions so that it can achieve the positive scale proposed (potentially sustainable). Already the methodology of ecological tourism footprint is an important tool to measure potential impacts generated by tourism to tourist reality.

Keywords: Barometer of tourism sustainability, ecological footprint of tourism, Jalapão/Brazil, sustainable tourism.

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Authors: David G. Maxínez, A. Ferreyra Ramírez, Ismael Echenique Álvarez, Francisco Javier Sánchez Rangel, Guillermo Castillo Tapia, Petra Baldivia Noyola, María Antonieta García Galván

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The project describes the modeling of various architectures mechatronics specifically morphologies of robots in an educational environment. Each structure developed by students of pre-school, primary and secondary was created using the concept of reverse engineering in a constructivist environment, to later be integrated in educational software that promotes the teaching of educational Robotics in a virtual and economic environment.

Keywords: Modeling, constructivist, engineering, reverse, robotics education, virtual, morphology.

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Authors: P. Pinyaphong, P. Sriburi, S. Phutrakul

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This paper studied the synthesis of monoacylglycerol (monolaurin) by glycerolysis of coconut oil and crude glycerol, catalyzed by Carica papaya lipase. Coconut oil obtained from cold pressed extraction method and crude glycerol obtained from the biodiesel plant in Department of Chemistry, Uttaradit Rajabhat University, Thailand which used oils were used as raw materials for biodiesel production through transesterification process catalyzed by sodium hydroxide. The influences of the following variables were studied: (i) type of organic solvent, (ii) molar ratio of substrate, (iii) reaction temperature, (iv) reaction time, (v) lipase dosage, and (vi) initial water activity of enzyme. High yields in monoacylglycerol (58.35%) were obtained with molar ratio of glycerol to oil at 8:1 in ethanol, temperature was controlled at 45oC for 36 hours, the amount of enzyme used was 20 wt% of oil and initial water activity of enzyme at 0.53.

Keywords: Monoacylglycerol, crude glycerol, coconut oil, Carica papaya lipase.

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Authors: Debabrata Mazumder

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Constructed and natural wetlands are being used extensively to treat different types of wastewater including the domestic one. Considerable removal efficiency has been achieved for a variety of pollutants like BOD, nitrogen and phosphorous in the wetlands. Wetland treatment appears to be the best choice for treatment or pre-treatment of wastewater because of the low maintenance cost and simplicity of operation. Wetlands are the natural exporters of organic carbon on account of decomposition of organic matter. The emergent plants like reeds, bulrushes and cattails are commonly used in constructed wetland for the treatment process providing surface for bacterial growth, filtration of solids, nutrient uptake and oxygenation to promote nitrification as well as denitrification. The present paper explored different scopes of organic matter (BOD), nitrogen and phosphorous removal from wastewater through wetlands. Emphasis is given to look into the soil chemistry for tracing the behavior of carbon, nitrogen and phosphorus in the wetland. Due consideration is also made to see the viability for upgrading the BOD, nitrogen and phosphorus removal efficiency through different classical modifications of wetland.

Keywords: BOD removal, modification, nitrogen removal, phosphorous removal, wetland.

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Authors: M. Eickermann, M. K. Class, J. Junk

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Winter oilseed rape, Brassica napus L., is characterized by a high number of herbicide applications. Therefore, its cultivation can lead to massive contamination of ground water and soil by herbicide and their metabolites. A multi-side long-term field experiment (EFFO, Efficient crop rotation) was set-up in Luxembourg to quantify these effects. Based on soil sampling and laboratory analysis, preliminary results showed reduced dehydrogenase activities of several soil organisms due to herbicide treatments. This effect is highly depending on the soil type. Relation between the dehydrogenase activity and the amount of microbial carbon showed higher variability on the test side with loamy Brown Earth, based on Bunter than on those with sandy-loamy Brown Earth, based on calciferous Sandstone.

Keywords: Cropping system, dehydrogenase activity, herbicides, mechanical weed control, oilseed rape.

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Authors: Nguyen Thi Kim Dzung, Pham Ngoc Khai, Rainer Ludwig

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The quantitative determination of several trace elements (Cr, As, Se, Cd, Hg, Pb) existing as inorganic impurities in some oriental herb-products such as Lingzhi Mushroom capsules, Philamin powder, etc using ICP-MS has been studied. Various instrumental parameters such as power, gas flow rate, sample depth, as well as the concentration of nitric acid and thick background due to high concentration of possible interferences on the determination of these above-mentioned elements was investigated and the optimum working conditions of the sample measurement on ICP-MS (Agilent-7500a) were reported. Appropriate isotope internal standards were also used to improve the accuracy of mercury determination. Optimal parameters for sampling digestion were also investigated. The recovery of analytical procedure was examined by using a Certified Reference Material (IAEA-CRM 359). The recommended procedure was then applied for the quantitative determination of Cr, As, Se, Cd, Hg, Pb in Lingzhi Mushroom capsule, and Philamine powder samples. The reproducibility of sample measurement (average value between 94 and 102%) and the uncertainty of analytical data (less than 20%) are acceptable.

Keywords: Oriental herbal product, trace elements, ICP-MS, biochemistry, medical chemistry.

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Authors: Ping Yuan, Mu-Sheng Chiang, Syu-Fang Liu, Shih-Bin Wang, Ming-Jun Kuo

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This study investigates the electrical performance of a planar solid oxide fuel cell unit with cross-flow configuration when the fuel utilization gets higher and the fuel inlet flow are non-uniform. A software package in this study solves two-dimensional, simultaneous, partial differential equations of mass, energy, and electro-chemistry, without considering stack direction variation. The results show that the fuel utilization increases with a decrease in the molar flow rate, and the average current density decreases when the molar flow rate drops. In addition, non-uniform Pattern A will induce more severe happening of non-reaction area in the corner of the fuel exit and the air inlet. This non-reaction area deteriorates the average current density and then deteriorates the electrical performance to –7%.

Keywords: Performance, Solid oxide fuel cell, non-uniform, fuelutilization

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Authors: Bassem Fahs, Philippe Barré, Patrick Ozenne, Eric Chartier, Guillaume Hérault, Sébastien Jacquet, Sébastien Clamagirand

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We present a dual-band (Cellular & PCS) dual-path zero-IF receiver for CDMA2000 diversity, monitoring and simultaneous-GPS. The secondary path is a SAW-less diversity CDMA receiver which can be also used for advanced features like monitoring when supported with an additional external VCO. A GPS receiver is integrated with its dedicated VCO allowing simultaneous positioning during a cellular call. The circuit is implemented in a 0.25μm 40GHz-fT BiCMOS process and uses a HVQFN 56-pin package. It consumes a maximum 300mW from a 2.8V supply in dual-modes. The chip area is 12.8mm2.

Keywords: CDMA, diversity, GPS, zero-IF, SAW-less

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Authors: Achraf El Allali, John R. Rose

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A number of competing methodologies have been developed to identify genes and classify DNA sequences into coding and non-coding sequences. This classification process is fundamental in gene finding and gene annotation tools and is one of the most challenging tasks in bioinformatics and computational biology. An information theory measure based on mutual information has shown good accuracy in classifying DNA sequences into coding and noncoding. In this paper we describe a species independent iterative approach that distinguishes coding from non-coding sequences using the mutual information measure (MIM). A set of sixty prokaryotes is used to extract universal training data. To facilitate comparisons with the published results of other researchers, a test set of 51 bacterial and archaeal genomes was used to evaluate MIM. These results demonstrate that MIM produces superior results while remaining species independent.

Keywords: Coding Non-coding Classification, Entropy, GeneRecognition, Mutual Information.

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Authors: Aspasia Koutsokosta, Stefanos Katsavounis

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This paper reviews the model-based qualitative and quantitative Operations Management research in the context of Construction Supply Chain Management (CSCM). Construction industry has been traditionally blamed for low productivity, cost and time overruns, waste, high fragmentation and adversarial relationships. The construction industry has been slower than other industries to employ the Supply Chain Management (SCM) concept and develop models that support the decision-making and planning. However the last decade there is a distinct shift from a project-based to a supply-based approach of construction management. CSCM comes up as a new promising management tool of construction operations and improves the performance of construction projects in terms of cost, time and quality. Modeling the Construction Supply Chain (CSC) offers the means to reap the benefits of SCM, make informed decisions and gain competitive advantage. Different modeling approaches and methodologies have been applied in the multi-disciplinary and heterogeneous research field of CSCM. The literature review reveals that a considerable percentage of the CSC modeling research accommodates conceptual or process models which present general management frameworks and do not relate to acknowledged soft Operations Research methods. We particularly focus on the model-based quantitative research and categorize the CSCM models depending on their scope, objectives, modeling approach, solution methods and software used. Although over the last few years there has been clearly an increase of research papers on quantitative CSC models, we identify that the relevant literature is very fragmented with limited applications of simulation, mathematical programming and simulation-based optimization. Most applications are project-specific or study only parts of the supply system. Thus, some complex interdependencies within construction are neglected and the implementation of the integrated supply chain management is hindered. We conclude this paper by giving future research directions and emphasizing the need to develop optimization models for integrated CSCM. We stress that CSC modeling needs a multi-dimensional, system-wide and long-term perspective. Finally, prior applications of SCM to other industries have to be taken into account in order to model CSCs, but not without translating the generic concepts to the context of construction industry.

Keywords: Construction supply chain management, modeling, operations research, optimization and simulation.

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Authors: A. Marcengo, A. Rapp, E. Guercio

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This work aims to describe the process of developing services and applications of seamless communication within a Telecom Italia long-term research project, which takes as central aim the design of a wearable communication device. In particular, the objective was to design a wrist phone integrated into everyday life of people in full transparency. The methodology used to design the wristwatch was developed through several subsequent steps also involving the Personas Layering Framework. The data collected in this phases have been very useful for designing an improved version of the first two concepts of wrist phone going to change aspects related to the four critical points expressed by the users.

Keywords: Design, Interaction, User Centred Design, Wristphone.

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Authors: Bo Bae Song, Byung Seok Lee, Hyun Young Kim, Chung Kwang Lee, Yong Seo Koo

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This paper proposed a silicon controller rectifier (SCR) based ESD protection device to protect low voltage ESD for integrated circuit. The proposed ESD protection device has low trigger voltage and high holding voltage compared with conventional SCR-based ESD protection devices. The proposed ESD protection circuit is verified and compared by TCAD simulation. This paper verified effective low voltage ESD characteristics with low trigger voltage of 5.79V and high holding voltage of 3.5V through optimization depending on design variables (D1, D2, D3 and D4).

Keywords: ESD, SCR, Holding voltage, Latch-up.

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Authors: S. Banerjee

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The paper describes design of an ontology in the financial domain for mutual funds. The design of this ontology consists of four steps, namely, specification, knowledge acquisition, implementation and semantic query. Specification includes a description of the taxonomy and different types mutual funds and their scope. Knowledge acquisition involves the information extraction from heterogeneous resources. Implementation describes the conceptualization and encoding of this data. Finally, semantic query permits complex queries to integrated data, mapping of these database entities to ontological concepts.

Keywords: Ontology, Semantic Web, Mutual Funds.

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Authors: A. I. Alateyah, H. N. Dhakal, Z. Y. Zhang

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Contact angle measurement was utilized in order to study the subject of the wettability and surface chemistry of the nanocomposites materials. Water and glycerol droplets were used in this study. The incorporation of layered silicate into the vinyl ester matrix helped to improve the wettability and reduced the θ values of both liquids used. The addition of 2 wt.% clay loading reduced the θ values of water and glycerol by up to 21% and 6% respectively. Likewise, the incorporation of 4 wt.% clay loading reduced the water and glycerol θ values by 49% and 38% respectively. Also this study confirms the findings in the literature regarding the relationship between the intercalation nanocomposites level and the wettability. Wide Angle X-ray Diffraction, Scanning Electron Microscopy and Transmission Electron Microscopy were utilised in order to characterise the interlamellar structure of nanocomposites.

Keywords: Vinyl ester, nanocomposites, layered silicate, characterisations, contact angle measurement, wettability.

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Authors: Guneet Mander, Gurinder Pal Singh

Abstract:

Moisture is an important consideration in many aspects ranging from irrigation, soil chemistry, golf course, corrosion and erosion, road conditions, weather predictions, livestock feed moisture levels, water seepage etc. Vegetation and crops always depend more on the moisture available at the root level than on precipitation occurrence. In this paper, design of an instrument is discussed which tells about the variation in the moisture contents of soil. This is done by measuring the amount of water content in soil by finding the variation in capacitance of soil with the help of a capacitive sensor. The greatest advantage of soil moisture sensor is reduced water consumption. The sensor is also be used to set lower and upper threshold to maintain optimum soil moisture saturation and minimize water wilting, contributes to deeper plant root growth ,reduced soil run off /leaching and less favorable condition for insects and fungal diseases. Capacitance method is preferred because, it provides absolute amount of water content and also measures water content at any depth.

Keywords: Capacitive Sensors, aluminum, Water, Irrigation.

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

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

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

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Authors: Alexander Breitholz, Wolfgang Arlt, Ki-Pung Yoo

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Group contribution based models are widely used in industrial applications for its convenience and flexibility. Although a number of group contribution models have been proposed, there were certain limitations inherent to those models. Models based on group contribution excess Gibbs free energy are limited to low pressures and models based on equation of state (EOS) cannot properly describe highly nonideal mixtures including acids without introducing additional modification such as chemical theory. In the present study new a new approach derived from quantum chemistry have been used to calculate necessary EOS group interaction parameters. The COSMO-RS method, based on quantum mechanics, provides a reliable tool for fluid phase thermodynamics. Benefits of the group contribution EOS are the consistent extension to hydrogen-bonded mixtures and the capability to predict polymer-solvent equilibria up to high pressures. The authors are confident that with a sufficient parameter matrix the performance of the lattice EOS can be improved significantly.

Keywords: COSMO-RS, Equation of State, Group contribution, Lattice Fluid, Phase equilibria.

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