Search results for: Neutral functional differential equation

Authors: Morten Willatzen, Mikhail Vladimirovich Deryabin

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The governing two-dimensional equations of a heterogeneous material composed of a fluid (allowed to flow in the absence of acoustic excitations) and a crystalline piezoelectric cubic solid stacked one-dimensionally (along the z direction) are derived and special emphasis is given to the discussion of acoustic group velocity for the structure as a function of the wavenumber component perpendicular to the stacking direction (being the x axis). Variations in physical parameters with y are neglected assuming infinite material homogeneity along the y direction and the flow velocity is assumed to be directed along the x direction. In the first part of the paper, the governing set of differential equations are derived as well as the imposed boundary conditions. Solutions are provided using Hamilton-s equations for the wavenumber vs. frequency as a function of the number and thickness of solid layers and fluid layers in cases with and without flow (also the case of a position-dependent flow in the fluid layer is considered). In the first part of the paper, emphasis is given to the small-frequency case. Boundary conditions at the bottom and top parts of the full structure are left unspecified in the general solution but examples are provided for the case where these are subject to rigid-wall conditions (Neumann boundary conditions in the acoustic pressure). In the second part of the paper, emphasis is given to the general case of larger frequencies and wavenumber-frequency bandstructure formation. A wavenumber condition for an arbitrary set of consecutive solid and fluid layers, involving four propagating waves in each solid region, is obtained again using the monodromy matrix method. Case examples are finally discussed.

Keywords: Flow, acoustics, solid-fluid structures, periodicity.

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Authors: K. Maria Agnes, J. Joshua Bapu

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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: Prima Luna, Afroditi Chatzifragkou, Dimitris Charalampopoulos

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Sorghum byproducts, namely bran, stalk, and panicle are examples of lignocellulosic biomass. These raw materials contain large amounts of polysaccharides, in particular hemicelluloses, celluloses, and lignins, which if efficiently extracted, can be utilised for the development of a range of added value products with potential applications in agriculture and food packaging sectors. The aim of this study was to characterise fractions extracted from sorghum bran and stalk with regards to their physicochemical properties that could determine their applicability as food-packaging materials. A sequential alkaline extraction was applied for the isolation of cellulosic, hemicellulosic and lignin fractions from sorghum stalk and bran. Lignin content, phenolic content and antioxidant capacity were also investigated in the case of the lignin fraction. Thermal analysis using differential scanning calorimetry (DSC) and X-Ray Diffraction (XRD) revealed that the glass transition temperature (T_g) of cellulose fraction of the stalk was ~78.33 ^oC at amorphous state (~65%) and water content of ~5%. In terms of hemicellulose, the T_g value of stalk was slightly lower compared to bran at amorphous state (~54%) and had less water content (~2%). It is evident that hemicelluloses generally showed a lower thermal stability compared to cellulose, probably due to their lack of crystallinity. Additionally, bran had higher arabinose-to-xylose ratio (0.82) than the stalk, a fact that indicated its low crystallinity. Furthermore, lignin fraction had T_g value of ~93 ^oC at amorphous state (~11%). Stalk-derived lignin fraction contained more phenolic compounds (mainly consisting of p-coumaric and ferulic acid) and had higher lignin content and antioxidant capacity compared to bran-derived lignin fraction.

Keywords: Alkaline extraction, bran, cellulose, hemicellulose, lignin, sorghum, stalk.

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Authors: A. Naamane, M. Hasnaoui

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Numerical modeling of fluid flows, whether compressible or incompressible, laminar or turbulent presents a considerable contribution in the scientific and industrial fields. However, the development of an approximate model of a supersonic flow requires the introduction of specific and more precise techniques and methods. For this purpose, the object of this paper is modeling a supersonic flow of inviscid fluid around a dihedral airfoil. Based on the thin airfoils theory and the non-dimensional stationary Steichen equation of a two-dimensional supersonic flow in isentropic evolution, we obtained a solution for the downstream velocity potential of the oblique shock at the second order of relative thickness that characterizes a perturbation parameter. This result has been dealt with by the asymptotic analysis and characteristics method. In order to validate our model, the results are discussed in comparison with theoretical and experimental results. Indeed, firstly, the comparison of the results of our model has shown that they are quantitatively acceptable compared to the existing theoretical results. Finally, an experimental study was conducted using the AF300 supersonic wind tunnel. In this experiment, we have considered the incident upstream Mach number over a symmetrical dihedral airfoil wing. The comparison of the different Mach number downstream results of our model with those of the existing theoretical data (relative margin between 0.07% and 4%) and with experimental results (concordance for a deflection angle between 1° and 11°) support the validation of our model with accuracy.

Keywords: Asymptotic modelling, dihedral airfoil, supersonic flow, supersonic wind tunnel.

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Authors: Venkataraman Sankaranarayanan, Sougata Ray

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While extant research has examined many aspects of differential corporate environmental outcomes and behavior, a holistic and integrated view of heterogeneity in corporate environment sustainability (CES) practices remains a puzzle to be fully unraveled – its extent and nature, its relationship to macro or micro level influences, or strategic orientations. Such a perspective would be meaningful for the field given notable strides in CES practices and the corporate social responsibility agenda over the last two decades, in the backdrop of altered global socio-political sensitivities and technological advances. To partly address this gap, this exploratory research adopted a content analysis approach to code patterns in the sustainability disclosures of the 160 largest global firms spread over 8 years. The sample of firms spanned seven industries, nine countries and three continents thereby presenting data rich and diverse enough in several dimensions to be representative of global heterogeneity in CES practices. Through a factor analysis of the coded data, four strategic CES orientations were extracted through the analysis, that effectively straddles most of the variation observed in current CES practices – one that seeks to reduce environmental damage on account of the firm’s operations, another that prioritizes minimalism, a third that focuses on broader ecological status quo, and a final one that champions the ‘business of green’, extending the CES agenda beyond the firm’s boundaries. These environment sustainability strategy orientations are further examined to elicit prominent patterns and explore plausible antecedents.

Keywords: Corporate sustainability, corporate social responsibility, corporate environmental management, environmental strategy.

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Authors: L. Al Ahmad, C. Latrille, D. Hainos, D. Blanc, M. Clausse

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A two-dimensional finite volume axisymmetric model is developed to predict the simultaneous heat and mass transfers during the drying of industrial sludge. The simulations were run using COMSOL-Multiphysics 3.5a. The input parameters of the numerical model were acquired from a preliminary experimental work. Results permit to establish correlations describing the evolution of the various parameters as a function of the drying temperature and the sludge water content. The selection and coupling of the equation are validated based on the drying kinetics acquired experimentally at a temperature range of 45-65 °C and absolute pressure range of 200-1000 mbar. The model, incorporating the heat and mass transfer mechanisms at different operating conditions, shows simulated values of temperature and water content. Simulated results are found concordant with the experimental values, only at the first and last drying stages where sludge shrinkage is insignificant. Simulated and experimental results show that sludge drying is favored at high temperatures and low pressure. As experimentally observed, the drying time is reduced by 68% for drying at 65 °C compared to 45 °C under 1 atm. At 65 °C, a 200-mbar absolute pressure vacuum leads to an additional reduction in drying time estimated by 61%. However, the drying rate is underestimated in the intermediate stage. This rate underestimation could be improved in the model by considering the shrinkage phenomena that occurs during sludge drying.

Keywords: Industrial sludge drying, heat transfer, mass transfer, mathematical modelling.

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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: R .Lassoued, M. Guenfoud

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An accurate procedure to determine free vibrations of beams and plates is presented. The natural frequencies are exact solutions of governing vibration equations witch load to a nonlinear homogeny system. The bilinear and linear structures considered simulate a bridge. The dynamic behavior of this one is analyzed by using the theory of the orthotropic plate simply supported on two sides and free on the two others. The plate can be excited by a convoy of constant or harmonic loads. The determination of the dynamic response of the structures considered requires knowledge of the free frequencies and the shape modes of vibrations. Our work is in this context. Indeed, we are interested to develop a self-consistent calculation of the Eigen frequencies. The formulation is based on the determination of the solution of the differential equations of vibrations. The boundary conditions corresponding to the shape modes permit to lead to a homogeneous system. Determination of the noncommonplace solutions of this system led to a nonlinear problem in Eigen frequencies. We thus, develop a computer code for the determination of the eigenvalues. It is based on a method of bisection with interpolation whose precision reaches 10 -12. Moreover, to determine the corresponding modes, the calculation algorithm that we develop uses the method of Gauss with a partial optimization of the "pivots" combined with an inverse power procedure. The Eigen frequencies of a plate simply supported along two opposite sides while considering the two other free sides are thus analyzed. The results could be generalized with the case of a beam by regarding it as a plate with low width. We give, in this paper, some examples of treated cases. The comparison with results presented in the literature is completely satisfactory.

Keywords: Free frequencies, beams, rectangular plates.

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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: Cecilia Perri, Vincenzo Corvello

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The aim of the present study is to investigate consumers' determinants of intention toward the adoption of Smart Grid solutions and technologies. Ajzen's Theory of Planned Behaviour (TPB) model is applied and tested to explain the formation of such adoption intention. An exogenous variable, taking into account the resistance to change of individuals, was added to the basic model. The elicitation study allowed obtaining salient modal beliefs, which were used, with the support of literature, to design the questionnaire. After the screening phase, data collected from the main survey were analysed for evaluating measurement model's reliability and validity. Consistent with the theory, the results of structural equation analysis revealed that attitude, subjective norm, and perceived behavioural control positively, which affected the adoption intention. Specifically, the variable with the highest estimate loading factor was found to be the perceived behavioural control, and, the most important belief related to each construct was determined (e.g., energy saving was observed to be the most significant belief linked with attitude). Further investigation indicated that the added exogenous variable has a negative influence on intention; this finding confirmed partially the hypothesis, since this influence was indirect: such relationship was mediated by attitude. Implications and suggestions for future research are discussed.

Keywords: Adoption of innovation, consumers behaviour, energy management, smart grid, theory of planned behaviour.

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Authors: Maksudur Rahman Khan, Kar Min Chan, Huei Ruey Ong, Chin Kui Cheng, Wasikur Rahman

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Microbial fuel cells (MFCs) represent a promising technology for simultaneous bioelectricity generation and wastewater treatment. Catalysts are significant portions of the cost of microbial fuel cell cathodes. Many materials have been tested as aqueous cathodes, but air-cathodes are needed to avoid energy demands for water aeration. The sluggish oxygen reduction reaction (ORR) rate at air cathode necessitates efficient electrocatalyst such as carbon supported platinum catalyst (Pt/C) which is very costly. Manganese oxide (MnO2) was a representative metal oxide which has been studied as a promising alternative electrocatalyst for ORR and has been tested in air-cathode MFCs. However the single MnO2 has poor electric conductivity and low stability. In the present work, the MnO2 catalyst has been modified by doping Pt nanoparticle. The goal of the work was to improve the performance of the MFC with minimum Pt loading. MnO2 and Pt nanoparticles were prepared by hydrothermal and sol gel methods, respectively. Wet impregnation method was used to synthesize Pt/MnO2 catalyst. The catalysts were further used as cathode catalysts in air-cathode cubic MFCs, in which anaerobic sludge was inoculated as biocatalysts and palm oil mill effluent (POME) was used as the substrate in the anode chamber. The asprepared Pt/MnO2 was characterized comprehensively through field emission scanning electron microscope (FESEM), X-Ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry (CV) where its surface morphology, crystallinity, oxidation state and electrochemical activity were examined, respectively. XPS revealed Mn (IV) oxidation state and Pt (0) nanoparticle metal, indicating the presence of MnO2 and Pt. Morphology of Pt/MnO2 observed from FESEM shows that the doping of Pt did not cause change in needle-like shape of MnO2 which provides large contacting surface area. The electrochemical active area of the Pt/MnO2 catalysts has been increased from 276 to 617 m2/g with the increase in Pt loading from 0.2 to 0.8 wt%. The CV results in O2 saturated neutral Na2SO4 solution showed that MnO2 and Pt/MnO2 catalysts could catalyze ORR with different catalytic activities. MFC with Pt/MnO2 (0.4 wt% Pt) as air cathode catalyst generates a maximum power density of 165 mW/m3, which is higher than that of MFC with MnO2 catalyst (95 mW/m3). The open circuit voltage (OCV) of the MFC operated with MnO2 cathode gradually decreased during 14 days of operation, whereas the MFC with Pt/MnO2 cathode remained almost constant throughout the operation suggesting the higher stability of the Pt/MnO2 catalyst. Therefore, Pt/MnO2 with 0.4 wt% Pt successfully demonstrated as an efficient and low cost electrocatalyst for ORR in air cathode MFC with higher electrochemical activity, stability and hence enhanced performance.

Keywords: Microbial fuel cell, oxygen reduction reaction, Pt/MnO2, palm oil mill effluent, polarization curve.

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Authors: Sabri Mrayed, David Maccioni, Greg Leslie

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Seawater desalination has been accepted as one of the most effective solutions to the growing problem of a diminishing clean drinking water supply. Currently two desalination technologies dominate the market – the thermally driven multi-stage flash distillation (MSF) and the membrane based reverse osmosis (RO). However, in recent years membrane distillation (MD) has emerged as a potential alternative to the established means of desalination. This research project intended to determine the viability of MD as an alternative process to MSF and RO for seawater desalination. Specifically the project involves conducting thermodynamic analysis of the process based on the second law of thermodynamics to determine the efficiency of the MD. Data was obtained from experiments carried out on a laboratory rig. To determine exergy values required for the exergy analysis, two separate models were built in Engineering Equation Solver – the ’Minimum Separation Work Model’ and the ‘Stream Exergy Model’. The efficiency of MD process was found to be 17.3 % and the energy consumption was determined to be 4.5 kWh to produce one cubic meter of fresh water. The results indicate MD has potential as a technique for seawater desalination compared to RO and MSF. However it was shown that this was only the case if an alternate energy source such as green or waste energy was available to provide the thermal energy input to the process. If the process was required to power itself, it was shown to be highly inefficient and in no way thermodynamically viable as a commercial desalination process.

Keywords: Desalination, Exergy, Membrane distillation, Second law efficiency.

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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

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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: Werner Sandmann, Verena Wolf

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Stochastic models of biological networks are well established in systems biology, where the computational treatment of such models is often focused on the solution of the so-called chemical master equation via stochastic simulation algorithms. In contrast to this, the development of storage-efficient model representations that are directly suitable for computer implementation has received significantly less attention. Instead, a model is usually described in terms of a stochastic process or a "higher-level paradigm" with graphical representation such as e.g. a stochastic Petri net. A serious problem then arises due to the exponential growth of the model-s state space which is in fact a main reason for the popularity of stochastic simulation since simulation suffers less from the state space explosion than non-simulative numerical solution techniques. In this paper we present transition class models for the representation of biological network models, a compact mathematical formalism that circumvents state space explosion. Transition class models can also serve as an interface between different higher level modeling paradigms, stochastic processes and the implementation coded in a programming language. Besides, the compact model representation provides the opportunity to apply non-simulative solution techniques thereby preserving the possible use of stochastic simulation. Illustrative examples of transition class representations are given for an enzyme-catalyzed substrate conversion and a part of the bacteriophage λ lysis/lysogeny pathway.

Keywords: Computational Modeling, Biological Networks, Stochastic Models, Markov Chains, Transition Class Models.

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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: Arash Esmaeili, Zhibang Liu, Yang Xiang, Jimmy Yun, Lei Shao

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High pressure carbon dioxide (CO2) absorption from a specific off-gas in a conventional column has been evaluated for the environmental concerns by the Aspen HYSYS simulator using a wide range of single absorbents and piperazine (PZ) blended solutions to estimate the outlet CO2 concentration, CO2 loading, reboiler power supply and regeneration heat duty to choose the most efficient solution in terms of CO2 removal and required heat duty. The property package, which is compatible with all applied solutions for the simulation in this study, estimates the properties based on electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for vapor phase and liquid hydrocarbon phase properties. The results of the simulation indicate that PZ in addition to the mixture of PZ and monoethanolamine (MEA) demand the highest regeneration heat duty compared with other studied single and blended amine solutions respectively. The blended amine solutions with the lowest PZ concentrations (5wt% and 10wt%) were considered and compared to reduce the cost of process, among which the blended solution of 10wt%PZ+35wt%MDEA (methyldiethanolamine) was found as the most appropriate solution in terms of CO2 content in the outlet gas, rich-CO2 loading and regeneration heat duty.

Keywords: Absorption, amine solutions, Aspen HYSYS, CO2 loading, piperazine, regeneration heat duty.

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Authors: T. Malmir, U. Eicker

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Landfilling of organic waste is still the predominant waste management method in the USA and Canada. Strategic plans for waste diversion from landfills are needed to increase material recovery and energy generation from waste. In this paper, we carried out a statistical survey on waste flow in the two cities New York and Montréal and estimated the energy recovery potential for each case. Data collection and analysis of the organic waste (food waste, yard waste, etc.), paper and cardboard, metal, glass, plastic, carton, textile, electronic products and other materials were done based on the reports published by the Department of Sanitation in New York and Service de l'Environnement in Montréal. In order to calculate the gas generation potential of organic waste, Buswell equation was used in which the molar mass of the elements was calculated based on their atomic weight and the amount of organic waste in New York and Montréal. Also, the higher and lower calorific value of the organic waste (solid base) and biogas (gas base) were calculated. According to the results, only 19% (598 kt) and 45% (415 kt) of New York and Montréal waste were diverted from landfills in 2017, respectively. The biogas generation potential of the generated food waste and yard waste amounted to 631 million m³ in New York and 173 million m³ in Montréal. The higher and lower calorific value of food waste were 3482 and 2792 GWh in New York and 441 and 354 GWh in Montréal, respectively. In case of yard waste, they were 816 and 681 GWh in New York and 636 and 531 GWh in Montréal, respectively. Considering the higher calorific value, this amount would mean a contribution of around 2.5% energy in these cities.

Keywords: Energy recovery, organic waste, urban energy modelling with INSEL, waste flow.

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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: Chih Chin Yang, Yen Chun Lin, Hsiao Hsuan Cheng

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Three similar negative differential resistance (NDR) profiles with both high peak to valley current density ratio (PVCDR) value and high peak current density (PCD) value in unity resonant tunneling electronic circuit (RTEC) element is developed in this paper. The PCD values and valley current density (VCD) values of the three NDR curves are all about 3.5 A and 0.8 A, respectively. All PV values of NDR curves are 0.40 V, 0.82 V, and 1.35 V, respectively. The VV values are 0.61 V, 1.07 V, and 1.69 V, respectively. All PVCDR values reach about 4.4 in three NDR curves. The PCD value of 3.5 A in triple PVCDR RTEC element is better than other resonant tunneling devices (RTD) elements. The high PVCDR value is concluded the lower VCD value about 0.8 A. The low VCD value is achieved by suitable selection of resistors in triple PVCDR RTEC element. The low PV value less than 1.35 V possesses low power dispersion in triple PVCDR RTEC element. The designed multiple value logical level (MVLL) system using triple PVCDR RTEC element provides equidistant logical level. The logical levels of MVLL system are about 0.2 V, 0.8 V, 1.5 V, and 2.2 V from low voltage to high voltage and then 2.2 V, 1.3 V, 0.8 V, and 0.2 V from high voltage back to low voltage in half cycle of sinusoid wave. The output level of four levels MVLL system is represented in 0.3 V, 1.1 V, 1.7 V, and 2.6 V, which satisfies the NMP condition of traditional two-bit system. The remarkable logical characteristic of improved MVLL system with paralleled capacitor are with four significant stable logical levels about 220 mV, 223 mV, 228 mV, and 230 mV. The stability and articulation of logical levels of improved MVLL system are outstanding. The average holding time of improved MVLL system is approximately 0.14 μs. The holding time of improved MVLL system is fourfold than of basic MVLL system. The function of additional capacitor in the improved MVLL system is successfully discovered.

Keywords: Capacitance, Logical level, Constant current source

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Authors: Trevor E. Davis, Isaac Cassar, Yi-Kai Lo, Wentai Liu

Abstract:

This study models the use of transcutaneous electrical nerve stimulation on skin with a disk electrode in order to simulate tissue damage. The current density distribution above a disk electrode is known to be a dynamic and non-uniform quantity that is intensified at the edges of the disk. The non-uniformity is subject to change through using various electrode geometries or stimulation methods. One of these methods known as edge-retarded stimulation has shown to reduce this edge enhancement. Though progress has been made in modeling the behavior of a disk electrode, little has been done to test the validity of these models in simulating the actual heat transfer from the electrode. This simulation uses finite element software to couple the injection of current from a disk electrode to heat transfer described by the Pennesbioheat transfer equation. An example application of this model is studying an experimental form of stimulation, known as edge-retarded stimulation. The edge-retarded stimulation method will reduce the current density at the edges of the electrode. It is hypothesized that reducing the current density edge enhancement effect will, in turn, reduce temperature change and tissue damage at the edges of these electrodes. This study tests this hypothesis as a demonstration of the capabilities of this model. The edge-retarded stimulation proved to be safer after this simulation. It is shown that temperature change and the fraction of tissue necrosis is much greater in the square wave stimulation. These results bring implications for changes of procedures in transcutaneous electrical nerve stimulation and transcutaneous spinal cord stimulation as well.

Keywords: Bioheat transfer, Electrode, Neuroprosthetics, TENS, Transcutaneous stimulation.

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Authors: M. Analoui, M. Fadavi Amiri

Abstract:

The design of a pattern classifier includes an attempt to select, among a set of possible features, a minimum subset of weakly correlated features that better discriminate the pattern classes. This is usually a difficult task in practice, normally requiring the application of heuristic knowledge about the specific problem domain. The selection and quality of the features representing each pattern have a considerable bearing on the success of subsequent pattern classification. Feature extraction is the process of deriving new features from the original features in order to reduce the cost of feature measurement, increase classifier efficiency, and allow higher classification accuracy. Many current feature extraction techniques involve linear transformations of the original pattern vectors to new vectors of lower dimensionality. While this is useful for data visualization and increasing classification efficiency, it does not necessarily reduce the number of features that must be measured since each new feature may be a linear combination of all of the features in the original pattern vector. In this paper a new approach is presented to feature extraction in which feature selection, feature extraction, and classifier training are performed simultaneously using a genetic algorithm. In this approach each feature value is first normalized by a linear equation, then scaled by the associated weight prior to training, testing, and classification. A knn classifier is used to evaluate each set of feature weights. The genetic algorithm optimizes a vector of feature weights, which are used to scale the individual features in the original pattern vectors in either a linear or a nonlinear fashion. By this approach, the number of features used in classifying can be finely reduced.

Keywords: Feature reduction, genetic algorithm, pattern classification, nearest neighbor rule classifiers (k-NNR).

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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: 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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Authors: Morné Roman, Robert van Zyl, Nishanth Parus, Nishal Mahatho

Abstract:

Leakage current monitoring for high voltage transmission line insulators is of interest as a performance indicator. Presently, to the best of our knowledge, there is no commercially available, clamp-on type, non-intrusive device for measuring leakage current on energised high voltage direct current (HVDC) transmission line insulators. The South African power utility, Eskom, is investigating the development of such a hand-held sensor for two important applications; first, for continuous real-time condition monitoring of HVDC line insulators and, second, for use by live line workers to determine if it is safe to work on energised insulators. In this paper, a DC leakage current sensor based on magnetic field sensing techniques is developed. The magnetic field sensor used in the prototype can also detect alternating current up to 5 MHz. The DC leakage current prototype detects the magnetic field associated with the current flowing on the surface of the insulator. Preliminary HVDC leakage current measurements are performed on glass insulators. The results show that the prototype can accurately measure leakage current in the specified current range of 1-200 mA. The influence of external fields from the HVDC line itself on the leakage current measurements is mitigated through a differential magnetometer sensing technique. Thus, the developed sensor can perform measurements on in-service HVDC insulators. The research contributes to the body of knowledge by providing a sensor to measure leakage current on energised HVDC insulators non-intrusively. This sensor can also be used by live line workers to inform them whether or not it is safe to perform maintenance on energized insulators.

Keywords: Direct current, insulator, leakage current, live line, magnetic field, sensor, transmission lines.

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