Search results for: molecular simulations

Authors: Young June Yoon

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We will present four different topics in estimating the mechanical properties of biological tissues. First we elucidate the viscoelastic behavior of collagen molecules whose diameter is a couple of nanometers. By using the molecular dynamics simulation, we observed the viscoelastic behavior in different pulling velocity. Second, the protein layer, so called ‘sheath’ in enamel microstructure reduces the stress concentration in enamel minerals. We examined the result by using the finite element methods. Third, the anisotropic elastic constants of dentin are estimated by micromechanical analysis and estimated results are close to the experimentally measured data. Last, new formulation between the fabric tensor and the wave velocity is established for calcaneus by employing the poroelasticity. This formulation can be simply used for future experiments.

Keywords: tissues, mechanics, mechanical properties, wave propagation

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Authors: L. Hassaine, A. Mraoui, M. R. Bengourina

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In photovoltaic system, connected to the grid, the main goal is to control the power that the inverter injects into the grid from the energy provided by the photovoltaic generator. This paper proposes a control technique for a photovoltaic system connected to the grid based on the digital pulse-width modulation (DSPWM) which can synchronise a sinusoidal current output with a grid voltage and generate power at unity power factor. This control is based on H-Bridge inverter controlled by bipolar PWM Switching. The electrical scheme of the system is presented. Simulations results of output voltage and current validate the impact of this method to determinate the appropriate control of the system. A digital design of a generator PWM using VHDL is proposed and implemented on a Xilinx FPGA.

Keywords: grid connected photovoltaic system, H-Bridge inverter, control, bipolar PWM

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Authors: Nigatu Tadesse, Li Juan, Liuhong Ming

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Gastric cancer (GC) is the fifth most common and fourth deadly cancer in the world with limited treatment options at late advanced stage in which surgical therapy is not recommended with chemotherapy remain as the mainstay of treatment. However, the occurrence of chemoresistance as well as intera-tumoral and inter-tumoral heterogeneity of response to targeted and immunotherapy underlined a clear unmet treatment need in gastroenterology. Several molecular and cellular alterations ascribed for chemo resistance in GC including cancer stem cells (CSC) and tumor microenvironment (TME) remodeling. Cancer cells including CSC bears higher metabolic demand and major changes in TME involves alterations of gut microbiota interacting with nutrients metabolism. Metabolic upregulation in lipids, carbohydrates, amino acids, fatty acids biosynthesis pathways identified as a common hall mark in GC. Metabolic addiction to methionine metabolism occurs in many cancer cells to promote the biosynthesis of S-Adenosylmethionine (SAM), a universal methyl donor molecule for high rate of transmethylation in GC and promote cell proliferation. Targeting methionine metabolism found to promotes chemo-sensitivity with treatment non-heterogeneity. Methionine restriction (MR) promoted the arrest of cell cycle at S/G2 phase and enhanced downregulation of GC cells resistance to apoptosis (including ferroptosis), which suggests the potential of synergy with chemotherapies acting at S-phase of the cell cycle as well as inducing cell apoptosis. Accumulated evidences showed both the biogenesis as well as intracellular metabolism of exogenous methionine could be safe and effective target for therapy either alone or in combination with chemotherapies. This review article provides an over view of the upregulation in methionine biosynthesis pathway and the molecular signaling through the PI3K/Akt/mTOR-c-MYC axis to promote metabolic reprograming through activating the expression of L-type aminoacid-1 (LAT1) transporter and overexpression of Methionine adenosyltransferase 2A(MAT2A) for intercellular metabolic conversion of exogenous methionine to SAM in GC, and the potential of targeting with novel therapeutic agents such as methioninase (METase), Methionine adenosyltransferase 2A (MAT2A), c-MYC, methyl like transferase 16 (METTL16) inhibitors that are currently under clinical trial development stages and future perspectives.

Keywords: gastric cancer, methionine metabolism, pi3k/akt/mtorc1-c-myc axis, gut microbiota, MAT2A, c-MYC, METTL16, methioninase

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Authors: Magno Enrique Mendoza Meza

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This paper deals with the comparison of three control techniques: the hysteresis on-off control (HyOOC), the hybrid on-off control (HOOC) and the simple Structured Treatment Interruptions (sSTI). These techniques are applied to the mathematical model developed by Kirschner and Webb. To compare these techniques we use a cost functional that minimize the wild-type virus population and the mutant virus population, but the main objective is to minimize the systemic cost of treatment and maximize levels of healthy CD4+ T cells. HyOOC, HOOC, and sSTI are applied to the drug therapies using a reverse transcriptase and protease inhibitors; simulations show that these controls maintain the uninfected cells in a small, bounded neighborhood of a pre-specified level. The controller HyOOC and HOOC are designed by appropriate choice of virtual equilibrium points.

Keywords: virus dynamics, on-off control, hysteresis, multi-drug therapies

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Authors: Alexandre Marin, Alexandra Bac, Laurent Astart

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New numerical methods for PDE resolution (such as Finite Volumes (FV) or Virtual Elements Method (VEM)) open new needs in terms of meshing of domains of interest, and in particular, polyhedral meshes have many advantages. One way to build such meshes consists of constructing Restricted Voronoi Diagrams (RVDs) whose boundaries respect the domain of interest. By minimizing a function defined for RVDs, the shapes of cells can be controlled, e.g., elongated according to user-defined directions or adjusted to comply with given aspect ratios (anisotropy) and density variations. In this paper, our contribution is threefold: First, we introduce a new gradient formula for the Voronoi tessellation energy under a continuous anisotropy field. Second, we describe a meshing algorithm based on the optimisation of this function that we validate against state-of-the-art approaches. Finally, we propose a hierarchical approach to speed up our meshing algorithm.

Keywords: anisotropic Voronoi diagrams, meshes for numerical simulations, optimisation, volumic polyhedral meshing

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Authors: Kim Duc Hoang, Hyeong Joon Ahn

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Residual vibration of the system base due to a high-acceleration motion of a stage may reduce life and productivity of the manufacturing device. Although a passive RFC can reduce vibration of the system base, spring or dummy mass should be replaced to tune performance of the RFC. In this paper, we develop a novel concept of the passive RFC mechanism for a linear motor motion stage using pre-compressed springs. Dynamic characteristic of the passive RFC can be adjusted by pre-compression of the spring without exchanging the spring or dummy mass. First, we build a linear motor motion stage with pre-compressed springs. Then, the effect of the pre-compressed spring on the passive RFC is investigated by changing both pre-compressions and stiffness of springs. Finally, the effectiveness of the passive RFC using pre-compressed springs was verified with both simulations and experiments.

Keywords: linear motor motion stage, residual vibration, passive RFC, pre-compressed spring

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Authors: Aysan Esgandanian, Sabalan Daneshvar

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The study is done to determine the comparison between proportional-integral-derivative controller (PID controller) and tilt-integral-derivative (TID controller) for cardiac pacemaker systems, which can automatically control the heart rate to accurately track a desired preset profile. The controller offers good adaption of heart to the physiological needs of the patient. The parameters of the both controllers are tuned by particle swarm optimization (PSO) algorithm which uses the integral of time square error as a fitness function to be minimized. Simulation results are performed on the developed cardiovascular system of humans and results demonstrate that the TID controller produces superior control performance than PID controllers. In this paper, all simulations were performed in Matlab.

Keywords: integral of time square error, pacemaker systems, proportional-integral-derivative controller, PSO algorithm, tilt-integral-derivative controller

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Authors: Paola Leon, Hugo Garcia, Adan Leon, Samuel Munoz

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The enhanced oil recovery by steam injection was considered a process that only generated physical recovery mechanisms. However, there is evidence of the occurrence of a series of chemical reactions, which are called aquathermolysis, which generates hydrogen sulfide, carbon dioxide, methane, and lower molecular weight hydrocarbons. These reactions can be favored by the addition of a catalyst during steam injection; in this way, it is possible to generate the original oil in situ upgrading through the production increase of molecules of lower molecular weight. This additional effect could increase the oil recovery factor and reduce costs in transport and refining stages. Therefore, this research has focused on the experimental evaluation of the catalytic aquathermolysis on a Colombian heavy oil with 12,8°API. The effects of three different catalysts, reaction time, and temperature were evaluated in a batch microreactor. The changes in the Colombian heavy oil were quantified through nuclear magnetic resonance 1H-NMR. The relaxation times interpretation and the absorption intensity allowed to identify the distribution of the functional groups in the base oil and upgraded oils. Additionally, the average number of aliphatic carbons in alkyl chains, the number of substituted rings, and the aromaticity factor were established as average structural parameters in order to simplify the samples' compositional analysis. The first experimental stage proved that each catalyst develops a different reaction mechanism. The aromaticity factor has an increasing order of the salts used: Mo > Fe > Ni. However, the upgraded oil obtained with iron naphthenate tends to form a higher content of mono-aromatic and lower content of poly-aromatic compounds. On the other hand, the results obtained from the second phase of experiments suggest that the upgraded oils have a smaller difference in the length of alkyl chains in the range of 240º to 270°C. This parameter has lower values at 300°C, which indicates that the alkylation or cleavage reactions of alkyl chains govern at higher reaction temperatures. The presence of condensation reactions is supported by the behavior of the aromaticity factor and the bridge carbons production between aromatic rings (RCH₂). Finally, it is observed that there is a greater dispersion in the aliphatic hydrogens, which indicates that the alkyl chains have a greater reactivity compared to the aromatic structures.

Keywords: catalyst, upgrading, aquathermolysis, steam

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Authors: Nurudeen Oluwasola Lasisi

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The COVID-19 is an infection caused by coronavirus, which has been designated as a pandemic in the world. In this paper, we proposed a model to study the effect of distancing and wearing masks on the transmission of COVID-19 infection dynamics. The invariant region of the model is established. The COVID-19 free equilibrium and the reproduction number of the model were obtained. The local and global stability of the model is determined using the linearization technique method and Lyapunov method. It was found that COVID-19 free equilibrium state is locally asymptotically stable in feasible region Ω if R₀ < 1 and globally asymptomatically stable if R₀ < 1, otherwise unstable if R₀ > 1. More so, numerical analysis and simulations of the dynamics of the COVID-19 infection are presented.

Keywords: distancing, reproduction number, wearing of mask, local and global stability, modelling, transmission

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Authors: Shafqat Ullah Khan, Ammar Nasir

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Using planar antenna array (PAA) in radars, Broadcasting, satellite antennas, and sonar for the detection of targets, Helps provide instant beam pattern control. High flexibility and Adaptability are achieved by multiple beam steering by using a Planar array and are particularly needed in real-life Sanrio’s where the need arises for several high-directivity beams. Faulty sensors in planar arrays generate asymmetry, which leads to service degradation, radiation pattern distortion, and increased levels of sidelobe. The POA, a nature-inspired optimization algorithm, accurately determines faulty sensors within an array, enhancing the reliability and performance of planar array antennas through extensive simulations and experiments. The analysis was done for different types of faults in 7 x 7 and 8 x 8 planar arrays in MATLAB.

Keywords: Planar antenna array, , Pelican optimisation Algorithm, , Faculty sensor, Antenna arrays

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Authors: Mohammad Reza Ebrahimi, Behnaz Mahdaviani

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Increasing renewable sources such photovoltaic are the reason of environmental pollution. Because photovoltaic generates power in low voltage, first, generated power should increase. Usually, distributed generation injects their power to AC-Grid, hence after voltage increasing an inverter is needed to convert DC power to AC power. This results in utilization two series converter that grows cost, complexity, and low efficiency. In this paper a single stage inverter is utilized to boost and invert in one stage. Control of this scheme is easier, and its initial cost decreases comparing to conventional double stage inverters. A simple control scheme is used to control active power as well as minimum total harmonic distortion (THD) in injected current. Simulations in MATLAB demonstrate better outputs comparing with conventional approaches.

Keywords: maximum power point tracking, boost inverter, control strategy, three phase inverter

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Authors: Jan Doutreloigne

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The main goal of this paper is to develop a switching amplifier with optimized power efficiency for analog signals with a very high crest factor such as audio or DSL signals. Theoretical calculations show that a switching amplifier architecture based on multi-level pulse width modulation outperforms all other types of linear or switching amplifiers in that respect. Simulations on a 2 W multi-level switching audio amplifier, designed in a 50 V 0.35 mm IC technology, confirm its superior performance in terms of power efficiency. A real silicon implementation of this audio amplifier design is currently underway to provide experimental validation.

Keywords: audio amplifier, multi-level switching amplifier, power efficiency, pulse width modulation, PWM, self-oscillating amplifier

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Authors: M. N. Amrani, H. Abanou, A. Dib

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In this paper, we proposed a strategy for optimizing the performance for a pumping structure constituted by an induction motor coupled to a centrifugal pump and improving existing results in this context. The considered system is supplied by a photovoltaic generator (GPV) through two static converters piloted in an independent manner. We opted for a maximum power point tracking (MPPT) control method based on the Neuro - Fuzzy, which is well known for its stability and robustness. To improve the induction motor performance, we use the concept of Direct Torque Control (DTC) and PID controller for motor speed to pilot the working of the induction motor. Simulations of the proposed approach give interesting results compared to the existing control strategies in this field. The model of the proposed system is simulated by MATLAB/Simulink.

Keywords: solar energy, pumping photovoltaic system, maximum power point tracking, direct torque Control (DTC), PID regulator

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Authors: Sajidullah Khan, Najeeb Ullah, Wang Yin Chai, Chai Soo See

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In this paper, we propose an approach to remove impulse and Poisson noise from X-ray images. Many filters have been used for impulse noise removal from color and gray scale images with their own strengths and weaknesses but X-ray images contain Poisson noise and unfortunately there is no intelligent filter which can detect impulse and Poisson noise from X-ray images. Our proposed filter uses the upgraded layer discrimination approach to detect both Impulse and Poisson noise corrupted pixels in X-ray images and then restores only those detected pixels with a simple efficient and reliable one line equation. Our Proposed algorithms are very effective and much more efficient than all existing filters used only for Impulse noise removal. The proposed method uses a new powerful and efficient noise detection method to determine whether the pixel under observation is corrupted or noise free. Results from computer simulations are used to demonstrate pleasing performance of our proposed method.

Keywords: X-ray image de-noising, impulse noise, poisson noise, PRWF

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Authors: N. Amraoui, D. Hammoutene

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We have performed a theoretical study using dispersion-corrected Density Functional Methods to evaluate a variety of artificial nucleobases as candidates for metal-mediated Hoogsteen-type base pairs. We focus on A-M-T Hoogsteen-type base pair with M=Co(II), Ru(I), Ni(I). All calculations are performed using (ADF 09) program. Metal-mediated Hoogsteen-type base pairs are studied as drug candidates, their geometry optimizations are performed at ZORA/TZ2P/BLYP-D level. The molecular geometries and different energies as total energies, coordination energies, Pauli interactions, orbital interactions and electrostatic energies are determined.

Keywords: chemistry, biology, density functional method, orbital interactions

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Authors: Maruska Vizek, Josip Glaurdic, Marina Tkalec, Goran Vuksic

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We empirically explore whether and how taxation affects bilateral real exchange rates in the euro area – relative unit labor costs and relative consumer price indices. We find that employers’ social security contributions and the value added tax changes have the expected effects put forward in the fiscal devaluation literature and simulations. Increases in employers’ contributions appreciate the relative unit labor costs in the short- and the long-run, while value added tax hike appreciates the relative consumer prices. Somewhat surprisingly, for personal income tax increases, we find a short-run depreciating impact on the relative unit labor costs, while increases in employees’ contributions depreciate both measures of real exchange rates in the short-run.

Keywords: sovereign bonds, European Union, developing countries, political determinants

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Authors: Paulo Mendonca, Nzar Faiq Naqeshbandi

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The objective of this study is to propose an interactive design environment that outlines the underlying computational framework to reach self-supporting overhangs. The research demonstrates the digital printability of overhangs taking into consideration factors related to the geometry design, the material used, the applied support, and the printing set-up of slicing and the extruder inclination. Parametric design tools can contribute to the design phase, form-finding, and stability optimization of self-supporting structures while printing in order to hold the components in place until they are sufficiently advanced to support themselves. The challenge is to ensure the stability of the printed parts in the critical inclinations during the whole fabrication process. Facilitating the identification of parameterization will allow to predict and optimize the process. Later, in the light of the previous findings, some guidelines of simulations and physical tests are given to be conducted for estimating the structural and functional performance.

Keywords: additive manufacturing, overhangs, self-support overhangs, printability, parametric tools

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Authors: Nader Al-Rashidi, David Greenhalgh

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Mathematical modelling techniques are now being used by health organizations worldwide to help understand the likely impact that intervention strategies treatment options and combinations of these have on the prevalence and incidence of hepatitis C virus (HCV) in the people who inject drugs (PWID) population. In this poster, we develop a deterministic, compartmental mathematical model to approximate the spread of the HCV in a PWID population that has been divided into two groups by time since onset of injection. The model assumes that after injection needles adopt the most infectious state of their previous state or that of the PWID who last injected with them. Using analytical techniques, we find that the model behaviour is determined by the basic reproductive number R₀, where R₀ = 1 is a critical threshold separating two different outcomes. The disease-free equilibrium is globally stable if R₀ ≤ 1 and unstable if R₀ > 1. Additionally, we make some simulations where have confirmed that the model tends to this endemic equilibrium value with realistic parameter values giving an HCV prevalence.

Keywords: hepatitis C, people who inject drugs, HCV, PWID

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Authors: Piotr Kacejko, Lukasz Grabowski, Zdzislaw Kaminski

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This paper discusses a model of fuel consumption and on-board electricity generation. Rapid changes in speed result in a constantly changing kinetic energy accumulated in a bus mass and an increased fuel consumption due to hardly recuperated kinetic energy. The model is based on the results achieved from chassis dynamometer, airport and city street researches. The verified model was applied to simulate the on-board electricity generation during the Japanese JE05 Emission Test Cycle. The simulations were performed for several values of vehicle mass and electrical load applied to on-board devices. The research results show that driving dynamics has an impact on a consumption of fuel to drive alternators.

Keywords: city bus, heavy duty vehicle, Japanese JE05 test cycle, power generation

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Authors: Muhammad Sameer Ahmed, Piotr Remlein, Tansal Gucluoglu

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The technique called as Generalized frequency division multiplexing (GFDM) used in the free space optical channel can be a good option for implementation free space optical communication systems. This technique has several strengths e.g. good spectral efficiency, low peak-to-average power ratio (PAPR), adaptability and low co-channel interference. In this paper, the impact of weather conditions such as haze, rain and fog on GFDM over the gamma-gamma channel model is discussed. A Trade off between link distance and system performance under intense weather conditions is also analysed. The symbol error probability (SEP) of GFDM over the gamma-gamma turbulence channel is derived and verified with the computer simulations.

Keywords: free space optics, generalized frequency division multiplexing, weather conditions, gamma gamma distribution

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Authors: A. Elnady

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This paper presents an improved Direct Power Control (DPC) scheme applied to the multilevel inverter that forms a Distributed Generation Unit (DGU). This paper demonstrates the performance of active and reactive power injected by the DGU to the smart grid. The DPC is traditionally operated by the hysteresis controller with the Space Vector Modulation (SVM) which is applied on the 2-level inverters or 3-level inverters. In this paper, the DPC is operated by the PI controller with the Phase-Disposition Pulse Width Modulation (PD-PWM) applied to the 5-level diode clamped inverter. The new combination of the DPC, PI controller, PD-PWM and multilevel inverter proves that its performance is much better than the conventional hysteresis-SVM based DPC. Simulations results have been presented to validate the performance of the suggested control scheme in the grid-connected mode.

Keywords: direct power control, PI controller, PD-PWM, and power control

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Authors: P. V. Pantyukhov, T. V. Monakhova, A. A. Popov

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The paper studies the diffusion of low molecular weight components from vegetable fillers into polyethylene matrix during the preparation of biocomposites. In order to identify the diffusible substances a model experiment used where the hexadecane acted as a model of polyethylene. It was determined that polyphenolic compounds and chlorophyll penetrate from vegetable fillers to hexadecane to the maximum extent. There was found a correlation between the amount of polyphenolic compounds diffusible from the fillers to hexadecane and thermal oxidation kinetics of real biocomposites based on polyethylene and vegetable fillers. Thus, it has been assumed the diffusion of polyphenols and chlorophyll from vegetable fillers into polyethylene matrix during the preparation of biocomposites.

Keywords: biocomposite, composite, diffusion, polyethylene, vegetable filler

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Authors: Jose Daniel Hoyos Giraldo, Jesus Hernan Jimenez Giraldo, Juan Pablo Alvarado Perilla

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Range and endurance are the main limitations of electric aircraft due to the nature of its source of power. The improvement of efficiency on this kind of systems is extremely meaningful to encourage the aircraft operation with less environmental impact. The propeller efficiency highly affects the overall efficiency of the propulsion system; hence its optimization can have an outstanding effect on the aircraft performance. An optimization method is applied to an aircraft propeller in order to maximize its range and endurance by estimating the best combination of geometrical parameters such as diameter and airfoil, chord and pitch distribution for a specific aircraft design at a certain cruise speed, then the rotational speed at which the propeller operates at minimum current consumption is estimated. The optimization is based on the Blade Element Momentum (BEM) method, additionally corrected to account for tip and hub losses, Mach number and rotational effects; furthermore an airfoil lift and drag coefficients approximation is implemented from Computational Fluid Dynamics (CFD) simulations supported by preliminary studies of grid independence and suitability of different turbulence models, to feed the BEM method, with the aim of achieve more reliable results. Additionally, Vortex Theory is employed to find the optimum pitch and chord distribution to achieve a minimum induced loss propeller design. Moreover, the optimization takes into account the well-known brushless motor model, thrust constraints for take-off runway limitations, maximum allowable propeller diameter due to aircraft height and maximum motor power. The BEM-CFD method is validated by comparing its predictions for a known APC propeller with both available experimental tests and APC reported performance curves which are based on Vortex Theory fed with the NASA Transonic Airfoil code, showing a adequate fitting with experimental data even more than reported APC data. Optimal propeller predictions are validated by wind tunnel tests, CFD propeller simulations and a study of how the propeller will perform if it replaces the one of on known aircraft. Some tendency charts relating a wide range of parameters such as diameter, voltage, pitch, rotational speed, current, propeller and electric efficiencies are obtained and discussed. The implementation of CFD tools shows an improvement in the accuracy of BEM predictions. Results also showed how a propeller has higher efficiency peaks when it operates at high rotational speed due to the higher Reynolds at which airfoils present lower drag. On the other hand, the behavior of the current consumption related to the propulsive efficiency shows counterintuitive results, the best range and endurance is not necessary achieved in an efficiency peak.

Keywords: BEM, blade design, CFD, electric aircraft, endurance, optimization, range

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Authors: Arnab Sarkar, Michael Huang, Chuang Ren, Jun Li

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The increasing importance of computing in modern society has brought substantial growth in the demand for more computational power. In some problem domains such as scientific simulations, available computational power still sets a limit on what can be practically explored in computation. For many types of code, there is non-uniformity in the utility of computation. That is not every piece of computation contributes equally to the quality of the result. If this non-uniformity is understood well and exploited effectively, we can much more effectively utilize available computing power. In this paper, we discuss a case study of exploring such non-uniformity in a particle-in-cell simulation platform. We find both the existence of significant non-uniformity and that it is generally straightforward to exploit it. We show the potential of order-of-magnitude effective performance gain while keeping the comparable quality of output. We also discuss some challenges in both the practical application of the idea and evaluation of its impact.

Keywords: approximate computing, landau damping, non uniform utility computing, particle-in-cell

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Authors: A. Adelhafidhi, I. M. Babaghayou, S. F. Chabira, M. Sebaa

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This study deals with the photodegradation of unformulated polyethylene films for greenhouse covering. The UV range of solar light appears as the most deleterious factor of plastic degradation in outdoor exposure. The reasons of this photosensitivity are structural defects which are light-absorbing. The use of FTIR as an investigation tool has revealed that the material reacts with surrounding oxygen via a photooxidation process. Although the photochemical process is quite complex, it appears through this study than crosslinking and chain scissions are the most important events taking place during aging These two key reactions change irremediably the average molecular weight affecting thus drastically the mechanical properties and reducing, in the same way, the service lifetime of the films.

Keywords: polyethylene, films, unformulated, FTIR, ageing

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Authors: Aleksandra Zieminska-Stolarska, Ireneusz Zbicinski

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Introduction: The objective of the present work was to develop and validate a 3D CFD numerical model for simulating flow through 17 kilometers long dam reservoir of a complex bathymetry. In contrast to flowing waters, dam reservoirs were not emphasized in the early years of water quality modeling, as this issue has never been the major focus of urban development. Starting in the 1970s, however, it was recognized that natural and man-made lakes are equal, if not more important than estuaries and rivers from a recreational standpoint. The Sulejow Reservoir (Central Poland) was selected as the study area as representative of many lowland dam reservoirs and due availability of a large database of the ecological, hydrological and morphological parameters of the lake. Method: 3D, 2-phase and 1-phase CFD models were analysed to determine hydrodynamics in the Sulejow Reservoir. Development of 3D, 2-phase CFD model of flow requires a construction of mesh with millions of elements and overcome serious convergence problems. As 1-phase CFD model of flow in relation to 2-phase CFD model excludes from the simulations the dynamics of waves only, which should not change significantly water flow pattern for the case of lowland, dam reservoirs. In 1-phase CFD model, the phases (water-air) are separated by a plate which allows calculations of one phase (water) flow only. As the wind affects velocity of flow, to take into account the effect of the wind on hydrodynamics in 1-phase CFD model, the plate must move with speed and direction equal to the speed and direction of the upper water layer. To determine the velocity at which the plate will move on the water surface and interacts with the underlying layers of water and apply this value in 1-phase CFD model, the 2D, 2-phase model was elaborated. Result: Model was verified on the basis of the extensive flow measurements (StreamPro ADCP, USA). Excellent agreement (an average error less than 10%) between computed and measured velocity profiles was found. As a result of work, the following main conclusions can be presented: •The results indicate that the flow field in the Sulejow Reservoir is transient in nature, with swirl flows in the lower part of the lake. Recirculating zones, with the size of even half kilometer, may increase water retention time in this region •The results of simulations confirm the pronounced effect of the wind on the development of the water circulation zones in the reservoir which might affect the accumulation of nutrients in the epilimnion layer and result e.g. in the algae bloom. Conclusion: The resulting model is accurate and the methodology develop in the frame of this work can be applied to all types of storage reservoir configurations, characteristics, and hydrodynamics conditions. Large recirculating zones in the lake which increase water retention time and might affect the accumulation of nutrients were detected. Accurate CFD model of hydrodynamics in large water body could help in the development of forecast of water quality, especially in terms of eutrophication and water management of the big water bodies.

Keywords: CFD, mathematical modelling, dam reservoirs, hydrodynamics

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Authors: Anik Barua, Rabiul Hossain, Labonno Barua, Rashadul Hossain, Nurul Absar

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Background: Globally, the burden of cancer is increasing consistently. Modern cancer therapies include lots of toxicity in the non-targeted organs reducing the life expectancy of the patients. Hence, scientists are trying to seek noble compounds from natural sources to treat cancer. Objectives: The objectives of the present study are to evaluate the phytochemicals, in vitro antioxidants, and in vivo and in silico anticancer study of various solvent fractions of Tinospora cordifolia (Willd.). Methodology: In this experiment, standard quantitative and qualitative assay methods were used to analyze the phytochemicals. The antioxidant activity was measured using the DPPH and ABTS scavenging methods. The in vivo antitumor activity is evaluated against Ehrlich ascites carcinoma (EAC) cell bearing in Swiss albino mice. In-silico ADME/T and molecular docking study were performed to assess the potential of stated phytochemicals against Transcription Factor STAT3b/DNA Complex of adenocarcinoma. Findings: Phytochemical screening confirmed the presence of flavonoids, alkaloids, glycosides, tannins, and carbohydrates. A significant amount of phenolic (20.19±0.3 mg/g GAE) and flavonoids (9.46±0.18 mg/g GAE) were found in methanolic extract in quantitative screening. Tinospora cordifolia methanolic extract showed promising DPPH and ABTS scavenging activity with the IC50 value of 1222.99 µg/mL and 1534.34 µg/mL, respectively, which was concentration dependent. In vivo anticancer activity in EAC cell-bearing mice showed significant (P < 0.05) percent inhibition of cell growth (60.12±1.22) was found at the highest dose compared with standard drug 5-Fluorouracil (81.18±1.28). Forty-two phytochemicals exhibit notable pharmacokinetics properties and passed drug-likeness screening tests in silico. In molecular docking study, (25S)-3Beta-acetoxy-5-alpha-22-beta-spirost-9(11)-en-12-beta-ol showed docking score (-8.5 kJ/mol) with significant non-bonding interactions with target enzyme. Conclusions: The results were found to be significant and confirmed that the methanolic extract of Tinospora cordifolia has remarkable antitumor activity with antioxidant potential. The Tinospora cordifolia methanolic extract may be considered a potent anticancer agent for advanced research.

Keywords: anticancer, antioxidant, Tinospora cordifolia, EAC cell

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Authors: Seyyed Ershad Moradi, Javad Khodaveisi, Atefeh Nasrollahpour

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In this study, the highly ordered mesoporous carbon molecular sieve with high surface area and pore volume have been synthesized and modified by TiO₂ doping. The titanium oxide modified mesoporous carbon (Ti-OMC) was characterized by scanning electron microscope (SEM), BET surface area, DRS also XRD analysis (low and wide angle). Degradation experiments were conducted in batch mode with the variables such as amount of contact time, initial solution concentration, and solution pH. The optimal conditions for the degradation of methyl red (MR) were 100 mg/L dye concentration, pH of 7, and 0.12 mg/L of TiO₂ modified mesoporous carbon photocatalyst dosage.

Keywords: mesoporous carbon, photodegradation, surface modification, titanium oxide

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Authors: Hanouf A. S. Al Nuwaysir, Nadine Moubayed, Abir Ben Bacha, Islem Abid

Abstract:

Consumption of waste water continues to cause significant problems for human health in both developed and developing countries. Many regulations have been implied by different world authorities controlling water quality for the presence of coliforms used as standard indicators of water quality deterioration and historically leading health protection concept. In this study, the European directive for the detection of Escherichia coli, ISO 9308-1, was applied to examine and monitor coliforms in water samples collected from Wadi Hanifa and neighboring wells, Riyadh governorate, kingdom of Saudi Arabia, which is used for irrigation and industrial purposes. Samples were taken from different locations for 8 months consecutively, chlorine concentration ranging from 0.1- 0.4 mg/l, was determined using the DPD FREE CHLORINE HACH kit. Water samples were then analyzed following the ISO protocol which relies on the membrane filtration technique (0.45µm, pore size membrane filter) and a chromogenic medium TTC, a lactose based medium used for the detection and enumeration of total coliforms and E.coli. Data showed that the number of bacterial isolates ranged from 60 to 300 colonies/100ml for well and surface water samples respectively; where higher numbers were attributed to the surface samples. Organisms which apparently ferment lactose on TTC agar plates, appearing as orange colonies, were selected and additionally cultured on EMB and MacConkey agar for a further differentiation among E.coli and coliform bacteria. Two additional biochemical tests (Cytochrome oxidase and indole from tryptophan) were also investigated to detect and differentiate the presence of E.coli from other coliforms, E. coli was identified in an average of 5 to 7colonies among 25 selected colonies.On the other hand, a more rapid, specific and sensitive analytical molecular detection namely single colony PCR was also performed targeting hha gene to sensitively detect E.coli, giving more accurate and time consuming identification of colonies considered presumptively as E.coli. Comparative methodologies, such as ultrafiltration and direct DNA extraction from membrane filters (MoBio, Grermany) were also applied; however, results were not as accurate as the membrane filtration, making it a technique of choice for the detection and enumeration of water coliforms, followed by sufficiently specific enzymatic confirmatory stage.

Keywords: coliform, cytochrome oxidase, hha primer, membrane filtration, single colony PCR

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Authors: Shady Sayed, Samer Wagdy, Ahmed Badawy, Moutaz M. Hegaze

Abstract:

A symmetrical single mass resonant gyroscope is discussed in this paper. The symmetrical design allows matched resonant frequencies for driving and sensing vibration modes, which leads to amplifying the sensitivity of the gyroscope by the mechanical quality factor of the sense mode. It also achieves decoupled vibration modes for getting a low zero-rate output shift and more stable operation environment. A new suspension beams design is developed to get a symmetrical gyroscope with matched and decoupled modes at the same time. Finite element simulations are performed using ANSYS software package to verify the theoretical calculations. The gyroscope is fabricated from aluminum alloy 2024 substrate, the measured drive and sense resonant frequencies of the fabricated model are matched and equal 81.4 Hz with 5.7% error from the simulation results.

Keywords: decoupled mode shapes, resonant sensor, symmetrical gyroscope, finite element simulation

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