Search results for: quantum cellular automata (QCA)

Authors: Morteza Fathipour, Atousa Elahidoost, Alireza Mojab, Vala Fathipour

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We have modeled the effect of a graded band gap window on the performance of a single junction AlxGa1-xAs/GaAs solar cell. First, we study the electrical characteristics of a single junction AlxGa1-xAs/GaAs solar cell, by employing an optimized structure for this solar cell, we show that grading the band gap of the window can increase the conversion efficiency of the solar cell by about 1.5%, and can also improve the quantum efficiency of the solar cell especially at shorter wavelengths.

Keywords: Conversion efficiency, Graded band gap window, Quantum efficiency, Single junction AlxGa1-xAs/GaAs solar cell

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Authors: T. Hashimoto, N. Miki, H. Maki

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We report the size dependence of 1D superconductivity in ultrathin (10-130 nm) nanowires produced by coating suspended carbon nanotubes with a superconducting NbN thin film. The resistance-temperature characteristic curves for samples with ≧25 nm wire width show the superconducting transition. On the other hand, for the samples with 10-nm width, the superconducting transition is not exhibited owing to the quantum size effect. The differential resistance vs. current density characteristic curves show some peak, indicating that Josephson junctions are formed in nanowires. The presence of the Josephson junctions is well explained by the measurement of the magnetic field dependence of the critical current. These understanding allow for the further expansion of the potential application of NbN, which is utilized for single photon detectors and so on.

Keywords: NbN nanowire, carbon nanotube, quantum size effect, Josephson junction

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Authors: Christina Tay

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This paper investigates the impact of Information and Communication Technology (ICT) on bilateral trade in goods. Empirical analysis is performed on the United States and 34 partnering countries from 2000 to 2013. Our econometric model fits the data well, explaining 52% of the variation in trade flows for goods trade, 53.2% of the variation in trade flows for goods export and 48% of the variation in trade flows for goods import. For every 10% increase in fixed broadband Internet subscribers per 100 people increases, goods trade by 7.9% and for every 5% increase in fixed broadband Internet subscribers per 100 people, goods export increases by 11%. For every 1% increase in fixed telephone line penetration per 100 people, goods trade increases by 26.3%, goods export increases by 24.4% and goods import increases by 24.8%. For every 1% increase in mobile-cellular telephone subscriptions, goods trade decreases by 29.6% and goods export decreases by 27.1%, whilst for every 0.01% increase in mobile-cellular telephone subscriptions, goods import decreases by 34.3%. For every 1% increase in the percentage of population who used the Internet from any location in the last 12 months Internet, goods trade increases by 32.5%, goods export increases by 38.9%, goods import increases by 33%. All our trade determinants as well as our ICT variables have significances on goods exports for the US. We can also draw from our study that the US relies more rather heavily on ICT for its goods export compared to goods import.

Keywords: Bilateral trade, goods trade, information and communication technologies, Internet.

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Authors: Francisco Bulnes

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Through the Fukaya conjecture and the wrapped Floer cohomology, the correspondences between paths in a loop space and states of a wrapping space of states in a Hamiltonian space (the ramification of field in this case is the connection to the operator that goes from TM to T*M) are demonstrated where these last states are corresponding to bosonic extensions of a spectrum of the space-time or direct image of the functor Spec, on space-time. This establishes a distinguished diffeomorphism defined by the mapping from the corresponding loops space to wrapping category of the Floer cohomology complex which furthermore relates in certain proportion D-branes (certain D-modules) with strings. This also gives to place to certain conjecture that establishes equivalences between moduli spaces that can be consigned in a moduli identity taking as space-time the Hitchin moduli space on G, whose dual can be expressed by a factor of a bosonic moduli spaces.

Keywords: Floer cohomology, Fukaya conjecture, Lagrangian submanifolds, spectrum of ring, topological quantum diffeomorphisms.

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Authors: Renáta Iváncsy, István Vajk

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The various types of frequent pattern discovery problem, namely, the frequent itemset, sequence and graph mining problems are solved in different ways which are, however, in certain aspects similar. The main approach of discovering such patterns can be classified into two main classes, namely, in the class of the levelwise methods and in that of the database projection-based methods. The level-wise algorithms use in general clever indexing structures for discovering the patterns. In this paper a new approach is proposed for discovering frequent sequences and tree-like patterns efficiently that is based on the level-wise issue. Because the level-wise algorithms spend a lot of time for the subpattern testing problem, the new approach introduces the idea of using automaton theory to solve this problem.

Keywords: Frequent pattern discovery, graph mining, pushdownautomaton, sequence mining, state machine, tree mining.

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Authors: Omer K. Jasim, Safia Abbas, El-Sayed M. El-Horbaty, Abdel-Badeeh M. Salem

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Cloud computing technology is very useful in present day to day life, it uses the internet and the central remote servers to provide and maintain data as well as applications. Such applications in turn can be used by the end users via the cloud communications without any installation. Moreover, the end users’ data files can be accessed and manipulated from any other computer using the internet services. Despite the flexibility of data and application accessing and usage that cloud computing environments provide, there are many questions still coming up on how to gain a trusted environment that protect data and applications in clouds from hackers and intruders. This paper surveys the “keys generation and management” mechanism and encryption/decryption algorithms used in cloud computing environments, we proposed new security architecture for cloud computing environment that considers the various security gaps as much as possible. A new cryptographic environment that implements quantum mechanics in order to gain more trusted with less computation cloud communications is given.

Keywords: Cloud Computing, Cloud Encryption Model, Quantum Key Distribution.

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Authors: Arkady Bolotin

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One-way functions are functions that are easy to compute but hard to invert. Their existence is an open conjecture; it would imply the existence of intractable problems (i.e. NP-problems which are not in the P complexity class). If true, the existence of one-way functions would have an impact on the theoretical framework of physics, in particularly, quantum mechanics. Such aspect of one-way functions has never been shown before. In the present work, we put forward the following. We can calculate the microscopic state (say, the particle spin in the z direction) of a macroscopic system (a measuring apparatus registering the particle z-spin) by the system macroscopic state (the apparatus output); let us call this association the function F. The question is: can we compute the function F in the inverse direction? In other words, can we compute the macroscopic state of the system through its microscopic state (the preimage F -1)? In the paper, we assume that the function F is a one-way function. The assumption implies that at the macroscopic level the Schrödinger equation becomes unfeasible to compute. This unfeasibility plays a role of limit of the validity of the linear Schrödinger equation.

Keywords: One-way functions, P versus NP problem, quantummeasurements.

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Authors: Abobaker M. Q. Farhan, Olof M. A. Saif

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The demand for parking spaces in urban areas, particularly in developing countries, has led to a significant issue in the absence of sufficient parking spaces in crowded areas, which results in daily traffic congestion as drivers search for parking. This not only affects the appearance of the city but also has indirect impacts on the economy, society, and environment. In response to these challenges, researchers from various countries have sought technical and intelligent solutions to mitigate the problem through the development of smart parking systems. This paper aims to analyze and design three models of parking lots, with a focus on parking time and security. The study used computer software and Uppaal tools to simulate the models and determine the best among them. The results and suggestions provided in the paper aim to reduce the parking problems and improve the overall efficiency and safety of the parking process. The conclusion of the study highlights the importance of utilizing advanced technology to address the pressing issue of insufficient parking spaces in urban areas.

Keywords: Preliminaries, system requirements, timed automata, uppaal.

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Authors: Constantin Z. Leshan

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Hole Vacuum theory is based on discontinuous spacetime that contains vacuum holes. Vacuum holes can explain gravitation, some laws of quantum mechanics and allow teleportation of matter. All massive bodies emit a flux of holes which curve the spacetime; if we increase the concentration of holes, it leads to length contraction and time dilation because the holes do not have the properties of extension and duration. In the limited case when space consists of holes only, the distance between every two points is equal to zero and time stops - outside of the Universe, the extension and duration properties do not exist. For this reason, the vacuum hole is the only particle in physics capable of describing gravitation using its own properties only. All microscopic particles must 'jump' continually and 'vibrate' due to the appearance of holes (impassable microscopic 'walls' in space), and it is the cause of the quantum behavior. Vacuum holes can explain the entanglement, non-locality, wave properties of matter, tunneling, uncertainty principle and so on. Particles do not have trajectories because spacetime is discontinuous and has impassable microscopic 'walls' due to the simple mechanical motion is impossible at small scale distances; it is impossible to 'trace' a straight line in the discontinuous spacetime because it contains the impassable holes. Spacetime 'boils' continually due to the appearance of the vacuum holes. For teleportation to be possible, we must send a body outside of the Universe by enveloping it with a closed surface consisting of vacuum holes. Since a material body cannot exist outside of the Universe, it reappears instantaneously in a random point of the Universe. Since a body disappears in one volume and reappears in another random volume without traversing the physical space between them, such a transportation method can be called teleportation (or Hole Teleportation). It is shown that Hole Teleportation does not violate causality and special relativity due to its random nature and other properties. Although Hole Teleportation has a random nature, it can be used for colonization of extrasolar planets by the help of the method called 'random jumps': after a large number of random teleportation jumps, there is a probability that the spaceship may appear near a habitable planet. We can create vacuum holes experimentally using the method proposed by Descartes: we must remove a body from the vessel without permitting another body to occupy this volume.

Keywords: Border of the universe, causality violation, perfect isolation, quantum jumps.

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Authors: Madiha Tariq, Hena Rabbani

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Recently, cavity-optomechanics becomes an extensive research field that has manipulated the mechanical effects of light for coupling of the optical field with other physical objects specifically with regards to dynamical localization. We investigate the dynamical localization (both in momentum and position space) for a vibrational mirror in a Fabry-Pérot cavity driven by a single mode optical field and a transverse probe field. The weak probe field phenomenon results in classical chaos in phase space and spatio temporal dynamics in position |ψ(x)²| and momentum space |ψ(p)²| versus time show quantum localization in both momentum and position space. Also, we discuss the parametric dependencies of dynamical localization for a designated set of parameters to be experimentally feasible. Our work opens an avenue to manipulate the other optical phenomena and applicability of proposed work can be prolonged to turn-able laser sources in the future.

Keywords: Dynamical localization, cavity optomechanics, hamiltonian chaos, probe field.

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Authors: Jihad S. Daba, J. P. Dubois

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Fading noise degrades the performance of cellular communication, most notably in femto- and pico-cells in 3G and 4G systems. When the wireless channel consists of a small number of scattering paths, the statistics of fading noise is not analytically tractable and poses a serious challenge to developing closed canonical forms that can be analysed and used in the design of efficient and optimal receivers. In this context, noise is multiplicative and is referred to as stochastically local fading. In many analytical investigation of multiplicative noise, the exponential or Gamma statistics are invoked. More recent advances by the author of this paper utilized a Poisson modulated-weighted generalized Laguerre polynomials with controlling parameters and uncorrelated noise assumptions. In this paper, we investigate the statistics of multidiversity stochastically local area fading channel when the channel consists of randomly distributed Rayleigh and Rician scattering centers with a coherent Nakagami-distributed line of sight component and an underlying doubly stochastic Poisson process driven by a lognormal intensity. These combined statistics form a unifying triply stochastic filtered marked Poisson point process model.

Keywords: Cellular communication, femto- and pico-cells, stochastically local area fading channel, triply stochastic filtered marked Poisson point process.

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Authors: DaeWon Lee, HeonChang Yu

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Next generation wireless/mobile networks will be IP based cellular networks integrating the internet with cellular networks. In this paper, we propose a new architecture for a high speed transport system and a mobile management protocol for mobile internet users in a transport system. Existing mobility management protocols (MIPv6, HMIPv6) do not consider real world fast moving wireless hosts (e.g. passengers in a train). For this reason, we define a virtual organization (VO) and proposed the VO architecture for the transport system. We also classify mobility as VO mobility (intra VO) and macro mobility (inter VO). Handoffs in VO are locally managed and transparent to the CH while macro mobility is managed with Mobile IPv6. And, from the features of the transport system, such as fixed route and steady speed, we deduce the movement route and the handoff disruption time of each handoff. To reduce packet loss during handoff disruption time, we propose pre-registration scheme using pre-registration. Moreover, the proposed protocol can eliminate unnecessary binding updates resulting from sequence movement at high speed. The performance evaluations demonstrate our proposed protocol has a good performance at transport system environment. Our proposed protocol can be applied to the usage of wireless internet on the train, subway, and high speed train.

Keywords: Binding update, HMIPv6, packet loss, transport system, virtual organization.

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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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Authors: V. Zamora, Z. Zhang, A. Meldrum

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The compatibility of optical resonators with microfluidic systems may be relevant for chemical and biological applications. Here, a fluorescent-core microcavity (FCM) is investigated as a refractometric sensor for heavy oils. A high-index film of silicon quantum dots (QDs) was formed inside the capillary, supporting cylindrical fluorescence whispering gallery modes (WGMs). A set of standard refractive index oils was injected into a capillary, causing a shift of the WGM resonances toward longer wavelengths. A maximum sensitivity of 240 nm/RIU (refractive index unit) was found for a nominal oil index of 1.74. As well, a sensitivity of 22 nm/RIU was obtained for a lower index of 1.48, more typical of fuel hydrocarbons. Furthermore, the observed spectra and sensitivities were compared to theoretical predictions and reproduced via FDTD simulations, showing in general an excellent agreement. This work demonstrates the potential use of FCMs for oil sensing applications and the more generally for detecting liquid solutions with a high refractive index or high viscosity.

Keywords: Oils, optical resonators, sensing applications, whispering gallery modes.

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Authors: N. Daneshvar, S. Aber, M. S. Seyed Dorraji, A. R. Khataee, M. H. Rasoulifard

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ZnO nanocrystals with mean diameter size 14 nm have been prepared by precipitation method, and examined as photocatalyst for the UV-induced degradation of insecticide diazinon as deputy of organic pollutant in aqueous solution. The effects of various parameters, such as illumination time, the amount of photocatalyst, initial pH values and initial concentration of insecticide on the photocatalytic degradation diazinon were investigated to find desired conditions. In this case, the desired parameters were also tested for the treatment of real water containing the insecticide. Photodegradation efficiency of diazinon was compared between commercial and prepared ZnO nanocrystals. The results indicated that UV/ZnO process applying prepared nanocrystalline ZnO offered electrical energy efficiency and quantum yield better than commercial ZnO. The present study, on the base of Langmuir-Hinshelwood mechanism, illustrated a pseudo first-order kinetic model with rate constant of surface reaction equal to 0.209 mg l-1 min-1 and adsorption equilibrium constant of 0.124 l mg-1.

Keywords: Zinc oxide nanopowder, Electricity consumption, Quantum yield, Nanoparticles, Photodegradation, Kinetic model, Insecticide.

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Authors: Chih-Wei Chao, Jiashing Yu

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To mimic the natural circumstances of cell growth in an organism, we present three-dimensional (3D) scaffolds fabricated by microfluidics for cultivation. This work investigates the cellular behaviors of rat cardiomyocytes in gelatin 3D scaffolds compared to those on 2D control, such as proliferation, viability and morphology. We found that the scaffolds may induce skeletal differentiation of H9c2 cells.

Keywords: Microfluidic device, H9c2, tissue engineering, 3D scaffolds.

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Authors: Ferhat Erdal, Osman Tunca, Serkan Tas, Serdar Carbas

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Web-expanded steel beams provide an easy and economical solution for the systems having longer structural members. The main goal of manufacturing these beams is to increase the moment of inertia and section modulus, which results in greater strength and rigidity. Until recently, there were two common types of open web-expanded beams: with hexagonal openings, also called castellated beams, and beams with circular openings referred to as cellular beams, until the generation of sinusoidal web-expanded beams. In the present research, the optimum design of a new generation beams, namely sinusoidal web-expanded beams, will be carried out and the design results will be compared with castellated and cellular beam solutions. Thanks to a reduced fabrication process and substantial material savings, the web-expanded beam with sinusoidal holes (Angelina™ Beam) meets the economic requirements of steel design problems while ensuring optimum safety. The objective of this research is to carry out non-linear finite element analysis (FEA) of the web-expanded beam with sinusoidal holes. The FE method has been used to predict their entire response to increasing values of external loading until they lose their load carrying capacity. FE model of each specimen that is utilized in the experimental studies is carried out. These models are used to simulate the experimental work to verify of test results and to investigate the non-linear behavior of failure modes such as web-post buckling, shear buckling and vierendeel bending of beams.

Keywords: Steel structures, web-expanded beams, Angelina™ beam, optimum design, failure modes, finite element analysis.

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Authors: V.K. Mukhomorov

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The solvated electron is self-trapped (polaron) owing to strong interaction with the quantum polarization field. If the electron and quantum field are strongly coupled then the collective localized state of the field and quasi-particle is formed. In such a formation the electron motion is rather intricate. On the one hand the electron oscillated within a rather deep polarization potential well and undergoes the optical transitions, and on the other, it moves together with the center of inertia of the system and participates in the thermal random walk. The problem is to separate these motions correctly, rigorously taking into account the conservation laws. This can be conveniently done using Bogolyubov-Tyablikov method of canonical transformation to the collective coordinates. This transformation removes the translational degeneracy and allows one to develop the successive approximation algorithm for the energy and wave function while simultaneously fulfilling the law of conservation of total momentum of the system. The resulting equations determine the electron transitions and depend explicitly on the translational velocity of the quasi-particle as whole. The frequency of optical transition is calculated for the solvated electron in ammonia, and an estimate is made for the thermal-induced spectral bandwidth.

Keywords: Canonical transformations, solvated electron, width of the optical spectrum.

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Authors: Catalin Gales, Ionel Dumitrel Ghiba

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This paper studies questions of continuous data dependence and uniqueness for solutions of initial boundary value problems in linear micropolar thermoelastic mixtures. Logarithmic convexity arguments are used to establish results with no definiteness assumptions upon the internal energy.

Keywords: Cellular materials, continuous dependence, micro polar mixtures, uniqueness.

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Authors: János Levendovszky, András Oláh

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In this paper, novel statistical sampling based equalization techniques and CNN based detection are proposed to increase the spectral efficiency of multiuser communication systems over fading channels. Multiuser communication combined with selective fading can result in interferences which severely deteriorate the quality of service in wireless data transmission (e.g. CDMA in mobile communication). The paper introduces new equalization methods to combat interferences by minimizing the Bit Error Rate (BER) as a function of the equalizer coefficients. This provides higher performance than the traditional Minimum Mean Square Error equalization. Since the calculation of BER as a function of the equalizer coefficients is of exponential complexity, statistical sampling methods are proposed to approximate the gradient which yields fast equalization and superior performance to the traditional algorithms. Efficient estimation of the gradient is achieved by using stratified sampling and the Li-Silvester bounds. A simple mechanism is derived to identify the dominant samples in real-time, for the sake of efficient estimation. The equalizer weights are adapted recursively by minimizing the estimated BER. The near-optimal performance of the new algorithms is also demonstrated by extensive simulations. The paper has also developed a (Cellular Neural Network) CNN based approach to detection. In this case fast quadratic optimization has been carried out by t, whereas the task of equalizer is to ensure the required template structure (sparseness) for the CNN. The performance of the method has also been analyzed by simulations.

Keywords: Cellular Neural Network, channel equalization, communication over fading channels, multiuser communication, spectral efficiency, statistical sampling.

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Authors: Jalil Boudjadar

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Dynamic Voltage and Frequency Scaling (DVFS) multicore platforms are promising execution platforms that enable high computational performance, less energy consumption and flexibility in scheduling the system processes. However, the resulting interleaving and memory interference together with per-core frequency tuning make real-time guarantees hard to be delivered. Besides, energy consumption represents a strong constraint for the deployment of such systems on energy-limited settings. Identifying the system configurations that would achieve a high performance and consume less energy while guaranteeing the system schedulability is a complex task in the design of modern embedded systems. This work studies the trade-off between energy consumption, cores utilization and memory bottleneck and their impact on the schedulability of DVFS multicore time-critical systems with a hierarchy of shared memories. We build a model-based framework using Parametrized Timed Automata of UPPAAL to analyze the mutual impact of performance, energy consumption and schedulability of DVFS multicore systems, and demonstrate the trade-off on an actual case study.

Keywords: Time-critical systems, multicore systems, schedulability analysis, performance, memory interference, energy consumption.

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Authors: R. Chanajaree, D. Luanwiset, K. Pongpratea

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Dye removal is an environmental concern because the textile industries have been increasing by world population and industrialization. Adsorption is the technique to find adsorbents to remove dyes from wastewater. This method is low-cost and effective for dye removal. This work tries to develop effective adsorbents using the computational approach because it will be able to predict the possibility of the adsorbents for specific dyes in terms of binding free energies. The computational approach is faster and cheaper than the experimental approach in case of finding the best adsorbents. All starting structures of dyes and adsorbents are optimized by quantum calculation. The complexes between dyes and adsorbents are generated by the docking method. The obtained binding free energies from docking are compared to binding free energies from the experimental data. The calculated energies can be ranked as same as the experimental results. In addition, this work also shows the possible orientation of the complexes. This work used two experimental groups of the complexes of the dyes and adsorbents. In the first group, there are chitosan (adsorbent) and two dyes (reactive red (RR) and direct sun yellow (DY)). In the second group, there are poly(1,2-epoxy-3-phenoxy) propane (PEPP), which is the adsorbent, and 2 dyes of bromocresol green (BCG) and alizarin yellow (AY).

Keywords: Dye removal, binding free energies, quantum calculation, docking.

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Authors: Emanuel Teixeira, Anderson Ramos, Marisa Lourenço, Fernando J. Velez, Jon M. Peha

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This article discusses the benefit cost analysis aspects of millimetre wavebands (mmWaves) and Super High Frequency (SHF). The devaluation along the distance of the carrier-to-noise-plus-interference ratio with the coverage distance is assessed by considering two different path loss models, the two-slope urban micro Line-of-Sight (UMiLoS) for the SHF band and the modified Friis propagation model, for frequencies above 24 GHz. The equivalent supported throughput is estimated at the 5.62, 28, 38, 60 and 73 GHz frequency bands and the influence of carrier-to-noise-plus-interference ratio in the radio and network optimization process is explored. Mostly owing to the lessening caused by the behaviour of the two-slope propagation model for SHF band, the supported throughput at this band is higher than at the millimetre wavebands only for the longest cell lengths. The benefit cost analysis of these pico-cellular networks was analysed for regular cellular topologies, by considering the unlicensed spectrum. For shortest distances, we can distinguish an optimal of the revenue in percentage terms for values of the cell length, R ≈ 10 m for the millimeter wavebands and for longest distances an optimal of the revenue can be observed at R ≈ 550 m for the 5.62 GHz. It is possible to observe that, for the 5.62 GHz band, the profit is slightly inferior than for millimetre wavebands, for the shortest Rs, and starts to increase for cell lengths approximately equal to the ratio between the break-point distance and the co-channel reuse factor, achieving a maximum for values of R approximately equal to 550 m.

Keywords: 5G, millimetre wavebands, super high-frequency band, SINR, signal-to-interference-plus-noise ratio, cost benefit analysis.

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Authors: M. Abdeshahian, M. Nabipour, M. Meskarbashee

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To investigate effect of salt stress on Chlorophyll fluorescence four cultivars (fong,star,chamran and kharchia) of wheat (Triticum aestivum) plants subjected to salinity levels ( control,8,12 and 16 dsm-1 ) from one week after emergence to the end of stem elongation under greenhouse condition . results showed that quantum yield of photosystem II from light adopted leaves (ΦPSII), Photochemical quenching (qP) ,quantum yield of dark adopted leaves (fv/fm) and non photochemical quenching (NPq) were affected by salt stress . Salinity levels affected photosynthetic rate. Star and fong cultivars showed minimum and maximum levels of photosynthetic rate in respectively. Minimum photosynthetic rate differences between levels of salinity were shown in Kharchia. Shoot dry matter of all cultivars decreased by increasing salinity levels. Results showed that non photochemical quenching by salinity levels attribute to the decreases in shoot dry matter.

Keywords: salt stress, wheat, chlorophyll fluorescence, photosynthesis , shoot dry matter .

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Authors: Anil Kumar

Abstract:

Supersymmetric Quantum Mechanics is an interesting framework to analyze nonrelativistic quantal problems. Using these techniques, we construct a family of strictly isospectral Hulth´en potentials. Isospectral wave functions are generated and plotted for different values of the deformation parameter.

Keywords: Hulth´en potential, Isospectral Hamiltonian.

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Authors: Elias Akoury

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Nuclear Magnetic Resonance (NMR) spectroscopy is an indispensable technique used in structure determination of small and macromolecules to study their physical properties, elucidation of characteristic interactions, dynamics and thermodynamic processes. Quantum mechanics defines the theoretical description of NMR spectroscopy and treatment of the dynamics of nuclear spin systems. The phenomenon of residual dipolar coupling (RDCs) has become a routine tool for accurate structure determination by providing global orientation information of magnetic dipole-dipole interaction vectors within a common reference frame. This offers accessibility of distance-independent angular information and insights to local relaxation. The measurement of RDCs requires an anisotropic orientation medium for the molecules to partially align along the magnetic field. This can be achieved by introduction of liquid crystals or attaching a paramagnetic center. Although anisotropic paramagnetic tags continue to mark achievements in the biomolecular NMR of large proteins, its application in small organic molecules remains unspread. Here, we propose a strategy for the synthesis of a lanthanide tag and the measurement of RDCs in organic molecules using paramagnetic lanthanide complexes.

Keywords: Lanthanide Tags, NMR spectroscopy, residual dipolar coupling, quantum mechanics of spin dynamics.

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Authors: I. Székács, Á. Fejes, S. Klátyik, E. Takács, D. Patkó, J. Pomóthy, M. Mörtl, R. Horváth, E. Madarász, B. Darvas, A. Székács

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Environmental and toxicological characteristics of formulated pesticides may substantially differ from those of their active ingredients or other components alone. This phenomenon is demonstrated in the case of the herbicide active ingredient glyphosate. Due to its extensive application, this active ingredient was found in surface and ground water samples collected in Békés County, Hungary, in the concentration range of 0.54–0.98 ng/ml. The occurrence of glyphosate appeared to be somewhat higher at areas under intensive agriculture, industrial activities and public road services, but the compound was detected at areas under organic (ecological) farming or natural grasslands, indicating environmental mobility. Increased toxicity of the formulated herbicide product Roundup compared to that of glyphosate was observed on the indicator aquatic organism Daphnia magna Straus. Acute LC₅₀ values of Roundup and its formulating adjuvant polyethoxylated tallowamine (POEA) exceeded 20 and 3.1 mg/ml, respectively, while that of glyphosate (as isopropyl salt) was found to be substantially lower (690-900 mg/ml) showing good agreement with literature data. Cytotoxicity of Roundup, POEA and glyphosate has been determined on the neuroectodermal cell line, NE-4C measured both by cell viability test and holographic microscopy. Acute toxicity (LC₅₀) of Roundup, POEA and glyphosate on NE-4C cells was found to be 0.013±0.002%, 0.017±0.009% and 6.46±2.25%, respectively (in equivalents of diluted Roundup solution), corresponding to 0.022±0.003 and 53.1±18.5 mg/ml for POEA and glyphosate, respectively, indicating no statistical difference between Roundup and POEA and 2.5 orders of magnitude difference between these and glyphosate. The same order of cellular toxicity seen in average cell area has been indicated under quantitative cell visualization. The results indicate that toxicity of the formulated herbicide is caused by the formulating agent, but in some parameters toxicological synergy occurs between POEA and glyphosate.

Keywords: Glyphosate, polyethoxylated tallowamine, Roundup, combined aquatic and cellular toxicity, synergy.

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Authors: Manuel A. Alonso-Tarajano, Roberto Mosca, Patrick Aloy

Abstract:

Protein kinases participate in a myriad of cellular processes of major biomedical interest. The in vivo substrate specificity of these enzymes is a process determined by several factors, and despite several years of research on the topic, is still far from being totally understood. In the present work, we have quantified the contributions to the kinase substrate specificity of i) the phosphorylation sites and their surrounding residues in the sequence and of ii) the association of kinases to adaptor or scaffold proteins. We have used position-specific scoring matrices (PSSMs), to represent the stretches of sequences phosphorylated by 93 families of kinases. We have found negative correlations between the number of sequences from which a PSSM is generated and the statistical significance and the performance of that PSSM. Using a subset of 22 statistically significant PSSMs, we have identified specificity determinant residues (SDRs) for 86% of the corresponding kinase families. Our results suggest that different SDRs can function as positive or negative elements of substrate recognition by the different families of kinases. Additionally, we have found that human proteins with known function as adaptors or scaffolds (kAS) tend to interact with a significantly large fraction of the substrates of the kinases to which they associate. Based on this characteristic we have identified a set of 279 potential adaptors/scaffolds (pAS) for human kinases, which is enriched in Pfam domains and functional terms tightly related to the proposed function. Moreover, our results show that for 74.6% of the kinase–pAS association found, the pAS colocalize with the substrates of the kinases they are associated to. Finally, we have found evidence suggesting that the association of kinases to adaptors and scaffolds, may contribute significantly to diminish the in vivo substrate crossed-specificity of protein kinases. In general, our results indicate the relevance of several SDRs for both the positive and negative selection of phosphorylation sites by kinase families and also suggest that the association of kinases to pAS proteins may be an important factor for the localization of the enzymes with their set of substrates.

Keywords: Kinase, phosphorylation, substrate specificity, adaptors, scaffolds, cellular colocalization.

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Authors: Arun Kumar V.A., Keshav Mohan

Abstract:

Adenylate kinase (AK) catalyse the phosphotransferase reaction plays an important role in cellular energy homeostasis. The inhibitors of bacterial AK are useful in the treatment of several bacterial infections. To the novel inhibitors of AK, docking studies performed by using the 3D structure of Bacillus stearothermophilus adenylate kinase from protein data bank (IZIP). 46 Quinoxaline analogues were docked in 1ZIP and selected the highly interacting compounds based on their binding energies, for further studies

Keywords: Kinase, quinoxaline, homeostasis, inhibitor, nucleotide.

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Authors: Flora E. Firdaus

Abstract:

Polyurethane foam (PUF) is formed by a chemical reaction of polyol and isocyanate. The aim is to understand the impact of Silicone on synthesizing polyurethane in differentiate volume of molding. The method used was one step process, which is simultaneously caried out a blending polyol (petroleum polyol and soybean polyol), a TDI (2,4):MDI (4,4-) (80:20), a distilled water, and a silicone. The properties of the material were measured via a number of parameters, which are polymer density, compressive strength, and cellular structures. It is found that density of polyurethane using silicone with volume of molding either 250 ml or 500 ml is lower than without using silicone.

Keywords: soybean, petro, silicone, polyurethane

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