Search results for: electron back scattered diffraction.

Authors: Yu-Chen Kuo, Shih-Chieh Lin

Abstract:

Sensor relocation is to repair coverage holes caused by node failures. One way to repair coverage holes is to find redundant nodes to replace faulty nodes. Most researches took a long time to find redundant nodes since they randomly scattered redundant nodes around the sensing field. To record the precise position of sensor nodes, most researches assumed that GPS was installed in sensor nodes. However, high costs and power-consumptions of GPS are heavy burdens for sensor nodes. Thus, we propose a fast sensor relocation algorithm to arrange redundant nodes to form redundant walls without GPS. Redundant walls are constructed in the position where the average distance to each sensor node is the shortest. Redundant walls can guide sensor nodes to find redundant nodes in the minimum time. Simulation results show that our algorithm can find the proper redundant node in the minimum time and reduce the relocation time with low message complexity.

Keywords: Coverage, distributed algorithm, sensor relocation, wireless sensor networks.

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Authors: Moustapha Bande, Hakima Ould-Slimane, Hanifa Boucheneb

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Software development for complex systems requires efficient and automatic tools that can be used to verify the satisfiability of some critical properties such as security ones. With the emergence of Aspect-Oriented Programming (AOP), considerable work has been done in order to better modularize the separation of concerns in the software design and implementation. The goal is to prevent the cross-cutting concerns to be scattered across the multiple modules of the program and tangled with other modules. One of the key challenges in the aspect-oriented programs is to be sure that all the pieces put together at the weaving time ensure the satisfiability of the overall system requirements. Our paper focuses on this problem and proposes a formal property verification approach for a given property from the woven program. The approach is based on the control flow graph (CFG) of the woven program, and the use of a satisfiability modulo theories (SMT) solver to check whether each property (represented par one aspect) is satisfied or not once the weaving is done.

Keywords: Aspect-oriented programming, control flow graph, satisfiability modulo theories, property verification.

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Authors: Alireza Sadrmomtaz

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Positron emission particle tracking (PEPT) is a technique in which a single radioactive tracer particle can be accurately tracked as it moves. A limitation of PET is that in order to reconstruct a tomographic image it is necessary to acquire a large volume of data (millions of events), so it is difficult to study rapidly changing systems. By considering this fact, PEPT is a very fast process compared with PET. In PEPT detecting both photons defines a line and the annihilation is assumed to have occurred somewhere along this line. The location of the tracer can be determined to within a few mm from coincident detection of a small number of pairs of back-to-back gamma rays and using triangulation. This can be achieved many times per second and the track of a moving particle can be reliably followed. This technique was invented at the University of Birmingham [1]. The attempt in PEPT is not to form an image of the tracer particle but simply to determine its location with time. If this tracer is followed for a long enough period within a closed, circulating system it explores all possible types of motion. The application of PEPT to industrial process systems carried out at the University of Birmingham is categorized in two subjects: the behaviour of granular materials and viscous fluids. Granular materials are processed in industry for example in the manufacture of pharmaceuticals, ceramics, food, polymers and PEPT has been used in a number of ways to study the behaviour of these systems [2]. PEPT allows the possibility of tracking a single particle within the bed [3]. Also PEPT has been used for studying systems such as: fluid flow, viscous fluids in mixers [4], using a neutrally-buoyant tracer particle [5].

Keywords: PET, BGO, Particle Tracking, ECAT 931, List mode, PEPT.

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Authors: Anupama Pande, Vishik Goel

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A complex valued neural network is a neural network, which consists of complex valued input and/or weights and/or thresholds and/or activation functions. Complex-valued neural networks have been widening the scope of applications not only in electronics and informatics, but also in social systems. One of the most important applications of the complex valued neural network is in image and vision processing. In Neural networks, radial basis functions are often used for interpolation in multidimensional space. A Radial Basis function is a function, which has built into it a distance criterion with respect to a centre. Radial basis functions have often been applied in the area of neural networks where they may be used as a replacement for the sigmoid hidden layer transfer characteristic in multi-layer perceptron. This paper aims to present exhaustive results of using RBF units in a complex-valued neural network model that uses the back-propagation algorithm (called 'Complex-BP') for learning. Our experiments results demonstrate the effectiveness of a Radial basis function in a complex valued neural network in image recognition over a real valued neural network. We have studied and stated various observations like effect of learning rates, ranges of the initial weights randomly selected, error functions used and number of iterations for the convergence of error on a neural network model with RBF units. Some inherent properties of this complex back propagation algorithm are also studied and discussed.

Keywords: Complex valued neural network, Radial BasisFunction, Image recognition.

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Authors: Özge Alptoğa, Nuray Uçar, Nilgün Karatepe Yavuz, Ayşen Önen

Abstract:

Sulfur dioxide (SO₂) is a very toxic air pollutant gas and it causes the greenhouse effect, photochemical smog, and acid rain, which threaten human health severely. Thus, the capture of SO₂ gas is very important for the environment. Graphene which is two-dimensional material has excellent mechanical, chemical, thermal properties, and many application areas such as energy storage devices, gas adsorption, sensing devices, and optical electronics. Further, graphene oxide (GO) is examined as a good adsorbent because of its important features such as functional groups (epoxy, carboxyl and hydroxyl) on the surface and layered structure. The SO₂ adsorption properties of the fibers are usually investigated on carbon fibers. In this study, potential adsorption capacity of GO fibers was researched. GO dispersion was first obtained with Hummers’ method from graphite, and then GO fibers were obtained via wet spinning process. These fibers were converted into a disc shape, dried, and then subjected to SO₂ gas adsorption test. The SO₂ gas adsorption capacity of GO fiber discs was investigated in the fields of utilization of different coagulation baths and reduction by hydrazine hydrate. As coagulation baths, single and triple baths were used. In single bath, only ethanol and CaCl₂ (calcium chloride) salt were added. In triple bath, each bath has a different concentration of water/ethanol and CaCl₂ salt, and the disc obtained from triple bath has been called as reference disk. The fibers which were produced with single bath were flexible and rough, and the analyses show that they had higher SO₂ adsorption capacity than triple bath fibers (reference disk). However, the reduction process did not increase the adsorption capacity, because the SEM images showed that the layers and uniform structure in the fiber form were damaged, and reduction decreased the functional groups which SO₂ will be attached. Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD) analyzes were performed on the fibers and discs, and the effects on the results were interpreted. In the future applications of the study, it is aimed that subjects such as pH and additives will be examined.

Keywords: Coagulation bath, graphene oxide fiber, reduction, SO2 gas adsorption.

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Authors: S. Alrekabi, A. Cundy, A. Lampropoulos, I. Savina

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Due to their remarkable mechanical properties, multi-wall carbon nanotubes (MWCNTs) are considered by many researchers to be a highly promising filler and reinforcement agent for enhanced performance cementitious materials. Currently, however, achieving an effective dispersion of MWCNTs remains a major challenge in developing high performance nano-cementitious composites, since carbon nanotubes tend to form large agglomerates and bundles as a consequence of Van der Waals forces. In this study, effective dispersion of low concentrations of MWCNTs at 0.01%, 0.025%, and 0.05% by weight of cement in the composite was achieved by applying different sonication conditions in combination with the use of polycarboxylate ether as a surfactant. UV-Visible spectroscopy and Transmission electron microscopy (TEM) were used to assess the dispersion of MWCNTs in water, while the dispersion states of MWCNTs within the cement composites and their surface interactions were examined by scanning electron microscopy (SEM). A high sonication intensity applied over a short time period significantly enhanced the dispersion of MWCNTs at initial mixing stages, and 0.025% of MWCNTs wt. of cement, caused 86% and 27% improvement in tensile strength and compressive strength respectively, compared with a plain cement mortar.

Keywords: Dispersion, multiwall carbon nanotubes, mechanical performance, sonication conditions.

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Authors: T. Aldeeb, M. Abduelmula

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This study examines the fatigue life of S275 mild steel at room temperature. Mechanical components can fail under cyclic loading during period of time, known as the fatigue phenomenon. In order to prevent fatigue induced failures, material behavior should be investigated to determine the endurance limit of the material for safe design and infinite life, thus leading to reducing the economic cost and loss in human lives. The fatigue behavior of S275 mild steel was studied and investigated. Specimens were prepared in accordance with ASTM E3-11, and fatigue tests of the specimen were conducted in accordance with ASTM E466-07 on a smooth plate, with a continuous radius between ends (hourglass-shaped plate). The method of fatigue testing was applied with constant load amplitude and constant frequency of 4 Hz with load ratio (Fully Reversal R= -1). Surface fractures of specimens were investigated using Scanning Electron Microscope (SEM). The experimental results were compared with the results of a Finite Element Analysis (FEA), using simulation software. The experiment results indicated that the endurance fatigue limit of S275 mild steel was 195.47 MPa.

Keywords: Fatigue life, fatigue strength, finite element analysis, S275 mild steel, scanning electron microscope.

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Authors: Atef Y. Shenouda, Anton A. Momchilov

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Graphene and CdO with different stoichiometric ratios of Cd(CH₃COO)₂ and graphene samples were prepared by hydrothermal reaction. The crystalline phases of pure CdO and 3CdO:1graphene were identified by X-ray diffraction (XRD). The particle morphology was studied with SEM. Furthermore, impedance measurements were applied. Galvanostatic measurements for the cells were carried out using potential limits between 0.01 and 3 V vs. Li/Li⁺. The current cycling intensity was 10⁻⁴ A. The specific discharge capacity of 3CdO-1G cell was about 450 Ah.Kg⁻¹ up to more than 100 cycles.

Keywords: CdO, graphene, negative electrode, lithium battery.

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Authors: Ahmed H. Amer, A. Amar, Sh. Hamada, I. I. Bondouk, F. A. El-Hussiny

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Elastic scattering of α-particles from 9Be and 11B nuclei at different alpha energies have been analyzed. Optical model parameters (OMPs) of α-particles elastic scattering by these nuclei at different energies have been obtained. In the present calculations, the real part of the optical potential are derived by folding of nucleonnucleon (NN) interaction into nuclear matter density distribution of the projectile and target nuclei using computer code FRESCO. A density-dependent version of the M3Y interaction (CDM3Y6), which is based on the G-matrix elements of the Paris NN potential, has been used. Volumetric integrals of the real and imaginary potential depth (JR, JW) have been calculated and found to be energy dependent. Good agreement between the experimental data and the theoretical predictions in the whole angular range. In double folding (DF) calculations, the obtained normalization coefficient Nr is in the range 0.70–1.32.

Keywords: Elastic scattering of α-particles, optical model parameters, double folding model, nucleon-nucleon interaction.

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Authors: Nguyen Quang Bau, Nguyen Thu Huong, Dang Thi Thanh Thuy

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The analytic expression for the Hall Coefficient (HC) caused by the confined electrons in the presence of a strong electromagnetic wave (EMW) including the effect of phonon confinement in rectangular quantum wires (RQWs) is calculated by using the quantum kinetic equation for electrons in the case of electron - optical phonon scattering. It is because the expression of the HC for the confined phonon case contains indexes m, m’ which are specific to the phonon confinement. The expression in a RQW is different from that for the case of unconfined phonons in a RQW or in 2D. The results are numerically calculated and discussed for a GaAs/GaAsAl RQW. The numerical results show that HC in a RQW can have both negative and positive values. This is different from the case of the absence of EMW and the case presence of EMW including the effect of phonon unconfinement in a RQW. These results are also compared with those in the case of unconfined phonons in a RQW and confined phonons in a quantum well. The conductivity in the case of confined phonon has more resonance peaks compared with that in case of unconfined phonons in a RQW. This new property is the same in quantum well. All results are compared with the case of unconfined phonons to see differences.

Keywords: Hall coefficient, rectangular quantum wires, electron-optical phonon interaction, quantum kinetic equation, confined phonons.

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Authors: Mokhtar Djeddou, Amine Mehel, Georges Fokoua, Anne Tanière, Patrick Chevrier

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Commuters’ exposure to air pollution, particularly to particle matter inside vehicles, is a significant health issue. Assessing particle concentrations and characterizing their distribution is an important first step in understanding and proposing solutions to improve car cabin air quality. It is known that particle dynamics is intimately driven by particle-turbulence interactions. In order to analyze and model pollutants distribution inside car cabins, it is crucial to examine first the single-phase flow topology and its associated turbulence characteristics. Within this context, Computational Fluid Dynamics (CFD) simulations were conducted to model airflow inside a full-scale car cabin using Reynolds Averaged Navier-Stokes (RANS) approach combined with the first order Realizable k-ε model to close the RANS equations. To assess the numerical model, a campaign of velocity field measurements at different locations in the front and back of the car cabin has been carried out using hot-wire anemometry technique. Comparison between numerical and experimental results shows a good agreement of velocity profiles. Additionally, visualization of streamlines shows the formation of jet flow developing out of the dashboard air vents and the formation of large vortex structures, particularly between the front and back-seat compartments. These vortical structures could play a key role in the accumulation and clustering of particles in a turbulent flow.

Keywords: Car cabin, CFD, hot-wire anemometry, vortical flow.

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Authors: Maurizio Dapor, Isabel Abril, Pablo de Vera, Rafael Garcia-Molina

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The ionization yield of ion tracks in polymers and bio-molecular systems reaches a maximum, known as the Bragg peak, close to the end of the ion trajectories. Along the path of the ions through the materials, many electrons are generated, which produce a cascade of further ionizations and, consequently, a shower of secondary electrons. Among these, very low energy secondary electrons can produce damage in the biomolecules by dissociative electron attachment. This work deals with the calculation of the energy distribution of electrons produced by protons in a sample of polymethylmethacrylate (PMMA), a material that is used as a phantom for living tissues in hadron therapy. PMMA is also of relevance for microelectronics in CMOS technologies and as a photoresist mask in electron beam lithography. We present a Monte Carlo code that, starting from a realistic description of the energy distribution of the electrons ejected by protons moving through PMMA, simulates the entire cascade of generated secondary electrons. By following in detail the motion of all these electrons, we find the radial distribution of the energy that they deposit in PMMA for several initial proton energies characteristic of the Bragg peak.

Keywords: Monte Carlo method, secondary electrons, energetic ions, ion-beam cancer therapy, ionization cross section, polymethylmethacrylate, proton beams, secondary electrons, radial energy distribution.

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Authors: Ghassan H. Halasa

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Elementary particles are created in pairs of equal and opposite momentums at a reference frame at the speed of light. The speed of light reference frame is viewed as a point in space as observed by observer at rest. This point in space is the bang location of the big bang theory. The bang in the big bang theory is not more than sustained flow of pairs of positive and negative elementary particles. Electrons and negative charged elementary particles are ejected from this point in space at velocities faster than light, while protons and positively charged particles obtain velocities lower than light. Subsonic masses are found to have real and positive charge, while supersonic masses are found to be negative and imaginary indicating that the two masses are of different entities. The electron-s super-sonic speed, as viewed by rest observer was calculated and found to be less than the speed of light and is little higher than the electron speed in Bohr-s orbit. The newly formed hydrogen gas temperature was found to be in agreement with temperatures found on newly formed stars. Universe expansion was found to be in agreement. Partial mass and charge elementary particles and particles with momentum only were explained in the context of this theoretical approach.

Keywords: Evolution of Matter, Multidimensional spaces, relativity, Big Bang Theory

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Authors: E. N. Hasanov, K. Y. Yusifova, M. A. Ali

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Rabies is a zoonotic disease that causes acute encephalitis in domestic and wild carnivores. The goal of this investigation was to analyze the data on oral vaccination of wild canids and stray dogs in Azerbaijan. Before the start of vaccination campaign conducted by the IDEA (International Dialogue for Environmental Action) Animal Care Center (IACC), all rabies cases in Azerbaijan for the period of 2017-2020 were analyzed. So, 30 regions for oral immunization with the Rabadrop vaccine were selected. In total, 95.9 thousand doses of baits were scattered in 30 regions, 970 (0.97%) remained intact. In addition, a campaign to sterilize and vaccinate stray dogs and cats undoubtedly had a positive impact on reducing the dynamics of rabies incidence. During the period 2017-2020, 2,339 dogs and 2,962 cats were sterilized and vaccinated under this program. It can be noted that the risk of rabies infection can be reduced through special preventive measures against disease reservoirs, which include oral immunization of wild and stray animals.

Keywords: Rabies, vaccination, oral immunization, wild canids, stray dogs, vaccine, disease reservoirs.

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Authors: M.St. Węglowski, D. Miara, S. Błacha, J. Dworak, J. Rykała, K. Kwieciński, J. Pikuła, G. Ziobro, A. Szafron, P. Zimierska-Nowak, M. Richert, P. Noga

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In the paper the results of welding of car’s air-conditioning elements are presented. These systems based on, mainly, the environmental unfriendly refrigerants. Thus, the producers of cars will have to stop using traditional refrigerant and to change it to carbon dioxide (R744). This refrigerant is environmental friendly. However, it should be noted that the air condition system working with R744 refrigerant operates at high temperature (up to 150 °C) and high pressure (up to 130 bar). These two parameters are much higher than for other refrigerants. Thus new materials, design as well as joining technologies are strongly needed for these systems. AISI 304 and 316L steels as well as aluminium alloys 5xxx are ranked among the prospective materials. As a joining process laser welding, plasma welding, electron beam welding as well as high rotary friction welding can be applied. In the study, the metallographic examination based on light microscopy as well as SEM was applied to estimate the quality of welded joints. The analysis of welding was supported by numerical modelling based on Sysweld software. The results indicated that using laser, plasma and electron beam welding, it is possible to obtain proper quality of welds in stainless steel. Moreover, high rotary friction welding allows to guarantee the metallic continuity in the aluminium welded area. The metallographic examination revealed that the grain growth in the heat affected zone (HAZ) in laser and electron beam welded joints were not observed. It is due to low heat input and short welding time. The grain growth and subgrains can be observed at room temperature when the solidification mode is austenitic. This caused low microstructural changes during solidification. The columnar grain structure was found in the weld metal. Meanwhile, the equiaxed grains were detected in the interface. The numerical modelling of laser welding process allowed to estimate the temperature profile in the welded joint as well as predicts the dimensions of welds. The agreement between FEM analysis and experimental data was achieved.  

Keywords: Car’s air–conditioning, microstructure, numerical modelling, welding.

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Authors: F. Kashanian, M. M. Masoudi, A. Akbari, A. Shamloo, M. R. Zand, S. S. Salehi

Abstract:

Nano-sized materials present new opportunities in biology and medicine and they are used as biomedical tools for investigation, separation of molecules and cells. To achieve more effective cancer therapy, it is essential to select cancer cells exactly. This research suggests that using the antibody-functionalized nontoxic Arginine-doped magnetic nanoparticles (A-MNPs), has been prosperous in detection, capture, and magnetic separation of circulating tumor cells (CTCs) in tumor tissue. In this study, A-MNPs were synthesized via a simple precipitation reaction and directly immobilized Ep-CAM EBA-1 antibodies over superparamagnetic A-MNPs for Mucin BCA-225 in breast cancer cell. The samples were characterized by vibrating sample magnetometer (VSM), FT-IR spectroscopy, Tunneling Electron Microscopy (TEM) and Scanning Electron Microscopy (SEM). These antibody-functionalized nontoxic A-MNPs were used to capture breast cancer cell. Through employing a strong permanent magnet, the magnetic separation was achieved within a few seconds. Antibody-Conjugated nontoxic Arginine-doped Fe₃O₄ nanoparticles have the potential for the future study to capture CTCs which are released from tumor tissue and for drug delivery, and these results demonstrate that the antibody-conjugated A-MNPs can be used in magnetic hyperthermia techniques for cancer treatment.

Keywords: Tumor tissue, antibody, magnetic nanoparticle, CTCs capturing.

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Authors: Aliakbar Golshani, Seyyed Mehdi Poorhashemi, Mahsa Gharizadeh

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The under passing tunnels are strongly influenced by the soils around. There are some complexities in the specification of real soil behavior, owing to the fact that lots of uncertainties exist in soil properties, and additionally, inappropriate soil constitutive models. Such mentioned factors may cause incompatible settlements in numerical analysis with the obtained values in actual construction. This paper aims to report a case study on a specific tunnel constructed by NATM. The tunnel has a depth of 11.4 m, height of 12.2 m, and width of 14.4 m with 2.5 lanes. The numerical modeling was based on a 2D finite element program. The soil material behavior was modeled by hardening soil model. According to the field observations, the numerical estimated settlement at the ground surface was approximately four times more than the measured one, after the entire installation of the initial lining, indicating that some unknown factors affect the values. Consequently, the geotechnical parameters are accurately revised by a numerical back-analysis using laboratory and field test data and based on the obtained monitoring data. The obtained result confirms that typically, the soil parameters are conservatively low-estimated. And additionally, the constitutive models cannot be applied properly for all soil conditions.

Keywords: NATM tunnel, initial lining, field test data, laboratory test data, monitoring data, numerical back-analysis.

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Authors: O. Shiman, V. Gerbreders, E. Sledevskis, A. Bulanovs, V.Pashkevich

Abstract:

The selective wet-etching of amorphous and crystalline region of Sb20Se80 thin films was carried out using organic based solution e.g. amines. We report the development of an in situ real-time method to study the wet chemical etching process of thin films. Characterization of the structure and surface of films studied by X-ray diffraction, SEM and EBSD methods has been done and potential application suggested.

Keywords: amorphous and crystalline phases, chalcogenide thinfilm, etching process

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Authors: Eman A. Embaby, Amira A. A. Abdallah

Abstract:

Background: Occupational standing is associated with low back pain (LBP) development. Yet, trunk and gluteus-medius muscles’ fatigability has not been extensively studied during occupational standing. This study examined and correlated the rectus abdominus (RA), erector-spinae (ES), external oblique (EO), and gluteus-medius (GM) muscles’ fatigability on both sides while standing in a confined area for 30min Methods: Median frequency EMG data were collected from 15 female clinical instructors with chronic LBP (group A) and 15 asymptomatic controls (group B) (mean age 29.53±2.4 vs 29.07±2.4years, weight 63.6±7 vs 60±7.8kg, and height 162.73±4 vs 162.8±6cm respectively) using a spectrum analysis program. Data were collected in the first and last 5min of the standing task. Results: Using Mixed three-way ANOVA, group A showed significantly (p<0.05) lower frequencies for the right and left ES, and right GM in the last 5min and significantly higher frequencies for the left RA in the first and last 5min than group B. In addition, the left ES and right EO, ES and GM in group B showed significantly higher frequencies and the left ES in group A showed significantly lower frequencies in the last 5min compared with the first. Moreover, the right RA showed significantly higher frequencies than the left in the last 5min in group B. Finally, there were significant (p<0.05) correlations among the median frequencies of the tested four muscles on the same side and between both sides in both groups. Discussion/Conclusions: Clinical instructors with LBP are more liable to have higher trunk and gluteus-medius muscle fatigue than asymptomatic individuals. Thus, endurance training for these muscles should be included in the rehabilitation of such patients.

Keywords: EMG, Fatigability, Gluteus-medius, LBP, Standing, Trunk.

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Authors: O. Hassanein, Sreenatha G. Anavatti, Tapabrata Ray

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The dynamics of the Autonomous Underwater Vehicles (AUVs) are highly nonlinear and time varying and the hydrodynamic coefficients of vehicles are difficult to estimate accurately because of the variations of these coefficients with different navigation conditions and external disturbances. This study presents the on-line system identification of AUV dynamics to obtain the coupled nonlinear dynamic model of AUV as a black box. This black box has an input-output relationship based upon on-line adaptive fuzzy model and adaptive neural fuzzy network (ANFN) model techniques to overcome the uncertain external disturbance and the difficulties of modelling the hydrodynamic forces of the AUVs instead of using the mathematical model with hydrodynamic parameters estimation. The models- parameters are adapted according to the back propagation algorithm based upon the error between the identified model and the actual output of the plant. The proposed ANFN model adopts a functional link neural network (FLNN) as the consequent part of the fuzzy rules. Thus, the consequent part of the ANFN model is a nonlinear combination of input variables. Fuzzy control system is applied to guide and control the AUV using both adaptive models and mathematical model. Simulation results show the superiority of the proposed adaptive neural fuzzy network (ANFN) model in tracking of the behavior of the AUV accurately even in the presence of noise and disturbance.

Keywords: AUV, AUV dynamic model, fuzzy control, fuzzy modelling, adaptive fuzzy control, back propagation, system identification, neural fuzzy model, FLNN.

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Authors: Alan Luo, Hunter N. B. Moseley

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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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Authors: Ruchi Vyas, Sanjay Singh, Rashmi Sisodia

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Chlorophytum borivillianum root extract (CBE) was chosen as a reducing agent to fabricate silver nanoparticles with the aim of studying its radioprotective efficacy. The formation of synthesized nanoparticles was characterized by UV–visible analysis (UV–vis), Fourier transform infra-red (FT-IR), Transmission electron microscopy (TEM), Scanning electron microscope (SEM). TEM analysis showed particles size in the range of 20-30 nm. For this study, Swiss albino mice were selected from inbred colony and were divided into 4 groups: group I- control (irradiated-6 Gy), group II- normal (vehicle treated), group III- plant extract alone and group IV- CB-AgNPs (dose of 50 mg/kg body wt./day) administered orally for 7 consecutive days before irradiation to serve as experimental. CB-AgNPs pretreatment rendered significant increase in body weight and testes weight at various post irradiation intervals in comparison to irradiated group. Supplementation of CB-AgNPs reversed the adverse effects of gamma radiation on biochemical parameters as it notably ameliorated the elevation in lipid peroxidation and decline in glutathione concentration in testes. These observations indicate the radio-protective potential of CB-AgNPs in testicular constituents against gamma irradiation in mice.

Keywords: Chlorophytum borivillianum, gamma radiation, radioprotective, silver nanoparticles.

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Authors: Peyman Moradi, Matin Parvari

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Hydrodesulfurization (HDS) of dibenzothiophene (DBT) in a high pressure batch reactor was done at 320 °C on CoMoS/Al2O3-B2O3 (4, 10, and 16 wt. % of Boria) using nhexadecane as solvent, dimethyldisulfide (DMDS) in tetradecane as sulfur agent, and stirring at 1000 rpm. The effects of boria were investigated by using X-ray diffraction (XRD), Temperature programmed desorption (TPD) of ammonia, and Brunauer-Emmet- Teller (BET) experiments. The results showed that the catalyst prepared with low boria content (4 wt. %) had HDS activity (in pseudo first order kinetic constant basis) value ~1.45 times higher to that of CoMoS/Al2O3 catalyst.

Keywords: Alumina-boria mixed oxides, dibenzothiophene, hydrodesulfurization.

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Authors: Deepak Kukkar, Inderpreet Kaur, Jagtar Singh, Lalit M Bharadwaj

Abstract:

Polymeric microreactors have emerged as a new generation of carriers that hold tremendous promise in the areas of cancer therapy, controlled delivery of drugs, for removal of pollutants etc. Present work reports a simple and convenient methodology for synthesis of polystyrene and poly caprolactone microreactors. An aqueous suspension of carboxylated (1μm) polystyrene latex particles was mixed with toluene solution followed by freezing with liquid nitrogen. Freezed particles were incubated at -20°C and characterized for formation of voids on the surface of polymer microspheres by Field Emission Scanning Electron Microscope. The hollow particles were then overnight incubated at 40ºC with unfunctionalized quantum dots (QDs) in 5:1 ratio. QDs Encapsulated polystyrene microcapsules were characterized by fluorescence microscopy. Likewise Poly ε-caprolactone microreactors were prepared by micro-volcanic rupture of freeze dried microspheres synthesized using emulsification of polymer with aqueous Poly vinyl alcohol and freezed with liquid nitrogen. Microreactors were examined with Field Emission Scanning Electron Microscope for size and morphology. Current study is an attempt to create hollow polymer particles which can be employed for microencapsulation of nanoparticles and drug molecules.

Keywords: FE-SEM, Microreactors, Microvolcanic rupture, Poly (ε-caprolactone), Polystyrene

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Authors: Homa Torabizadeh, Mohaddeseh Mikani

Abstract:

Inulinase from Aspergillus niger was covalently immobilized on magnetic nanoparticles (MNPs/Fe₃O₄) covered with soy protein isolate (SPI/Fe₃O₄) functionalized by bovine serum albumin (BSA) nanoparticles. MNPs are promising enzyme carriers because they separate easily under external magnetic fields and have enhanced immobilized enzyme reusability. As MNPs aggregate simply, surface coating strategy was employed. SPI functionalized by BSA was a suitable candidate for nanomagnetite coating due to its superior biocompatibility and hydrophilicity. Fe₃O₄@SPI-BSA nanoparticles were synthesized as a novel carrier with narrow particle size distribution. Step by step fabrication monitoring of Fe₃O₄@SPI-BSA nanoparticles was performed using field emission scanning electron microscopy and dynamic light scattering. The results illustrated that nanomagnetite with the spherical morphology was well monodispersed with the diameter of about 35 nm. The average size of the SPI-BSA nanoparticles was 80 to 90 nm, and their zeta potential was around −34 mV. Finally, the mean diameter of fabricated Fe₃O₄@SPI-BSA NPs was less than 120 nm. Inulinase enzyme from Aspergillus niger was covalently immobilized through gluteraldehyde on Fe₃O₄@SPI-BSA nanoparticles successfully. Fourier transform infrared spectra and field emission scanning electron microscopy images provided sufficient proof for the enzyme immobilization on the nanoparticles with 80% enzyme loading.

Keywords: High fructose syrup, inulinase immobilization, functionalized magnetic nanoparticles, soy protein isolate.

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Authors: M. Jalali Azizpour, H. Mohammadi Majd

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High velocity oxygen fuel (HVOF) spray technique is one of the leading technologies that have been proposed as an alternative to the replacement of electrolytic hard chromium plating in a number of engineering applications. In this study, WC-Co powder was coated on AISI1045 steel using high velocity oxy fuel (HVOF) method. The sin²ψ method was used to evaluate the through thickness residual stress by means of XRD after mechanical layer removal process (only grinding). The average of through thickness residual stress using X-Ray diffraction was -400 MPa.

Keywords: Grinding, HVOF, Thermal spray, WC-Co.

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Authors: Sabriye Piskin, Sibel Kasap, Muge Sari Yilmaz

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Nanocrystalline TiO₂ particles were successfully synthesized via sol-gel and sonochemical combination using titanium tetraisopropoxide as a precursor at lower temperature for a short time. The effect of the reaction parameters (hydrolysis media, acid media, and reaction temperatures) on the synthesis of TiO₂ particles were investigated in the present study. Characterizations of synthesized samples were prepared by X-ray diffraction (XRD) analysis. It was shown that the reaction parameters played a significant role in the synthesis of TiO₂ particles.

Keywords: Crystalline TiO2, sonochemical mechanism, sol-gel reaction.

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Authors: Gitimoni Deka, Krishna G Bhattacharyya

Abstract:

The textile industry produces highly coloured effluents containing polar and non-polar compounds. The textile mill run by the Assam Polyester Co-operative Society Limited (APOL) is situated at Rangia, about 55 km from Guwahati (26011' N, 91047' E) in the northern bank of the river Brahmaputra, Assam (India). This unit was commissioned in June 1988 and started commercial production in November 1988. The installed capacity of the weaving unit was 8000 m/day and that of the processing unit was 20,000 m/day. The mill has its own dyeing unit with a capacity of 1500-2000 kg/day. The western side of the mill consists of vast agricultural land and the far northern and southern side of the mill has scattered human population. The eastern side of the mill has a major road for thoroughfare. The mill releases its effluents into the agricultural land in the western side of the mill. The present study was undertaken to assess the impact of the textile mill on surface soil quality in and around the mill with particular reference to Cr, Mn, Ni and Zn. Surface soil samples, collected along different directions at 200, 500 and 1000 m were digested and the metals were estimated with Atomic Absorption Spectrophotometer. The metals were found in the range of: Cr 50.9 – 105.0 mg kg-1, Mn 19.2- 78.6 mg kg-1, Ni 41.9 – 50.6 mg kg-1 and Zn 187.8 – 1095.8 mg kg-1. The study reveals enrichment of Cr, Mn, Ni and Zn in the soil near the textile mill.

Keywords: Cr, Mn, Ni, Zn, soil quality, heavy metal enrichment.

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Authors: D. Berdous, H. Ferfera-Harrar

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Superabsorbent polymers (SAPs) or hydrogels with three-dimensional hydrophilic network structure are high-performance water absorbent and retention materials. The in situ synthesis of metal nanoparticles within polymeric network as antibacterial agents for bio-applications is an approach that takes advantage of the existing free-space into networks, which not only acts as a template for nucleation of nanoparticles, but also provides long term stability and reduces their toxicity by delaying their oxidation and release. In this work, SAP/nanosilver nanocomposites were successfully developed by a unique green process at room temperature, which involves in situ formation of silver nanoparticles (AgNPs) within hydrogels as a template. The aim of this study is to investigate whether these AgNPs-loaded hydrogels are potential candidates for antimicrobial applications. Firstly, the superabsorbents were prepared through radical copolymerization via grafting and crosslinking of acrylamide (AAm) onto chitosan backbone (Cs) using potassium persulfate as initiator and N,N’-methylenebisacrylamide as the crosslinker. Then, they were hydrolyzed to achieve superabsorbents with ampholytic properties and uppermost swelling capacity. Lastly, the AgNPs were biosynthesized and entrapped into hydrogels through a simple, eco-friendly and cost-effective method using aqueous silver nitrate as a silver precursor and curcuma longa tuber-powder extracts as both reducing and stabilizing agent. The formed superabsorbents nanocomposites (Cs-g-PAAm)/AgNPs were characterized by X-ray Diffraction (XRD), UV-visible Spectroscopy, Attenuated Total reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR), Inductively Coupled Plasma (ICP), and Thermogravimetric Analysis (TGA). Microscopic surface structure analyzed by Transmission Electron Microscopy (TEM) has showed spherical shapes of AgNPs with size in the range of 3-15 nm. The extent of nanosilver loading was decreased by increasing Cs content into network. The silver-loaded hydrogel was thermally more stable than the unloaded dry hydrogel counterpart. The swelling equilibrium degree (Q) and centrifuge retention capacity (CRC) in deionized water were affected by both contents of Cs and the entrapped AgNPs. The nanosilver-embedded hydrogels exhibited antibacterial activity against Escherichia coli and Staphylococcus aureus bacteria. These comprehensive results suggest that the elaborated AgNPs-loaded nanomaterials could be used to produce valuable wound dressing.

Keywords: Antibacterial activity, nanocomposites, silver nanoparticles, superabsorbent hydrogel.

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Authors: A. Alshebani, Y. Swesi, S. Mrayed, F. Altaher

Abstract:

This paper present some preliminary work on the preparation and physicochemical caracterization of nanocomposite MFI-alumina structures based on alumina hollow fibres. The fibers are manufactured by a wet spinning process. α-alumina particles were dispersed in a solution of polysulfone in NMP. The resulting slurry is pressed through the annular gap of a spinneret into a precipitation bath. The resulting green fibres are sintered. The mechanical strength of the alumina hollow fibres is determined by a three-point-bending test while the pore size is characterized by bubble-point testing. The bending strength is in the range of 110 MPa while the average pore size is 450 nm for an internal diameter of 1 mm and external diameter of 1.7 mm. To characterize the MFI membranes various techniques were used for physicochemical characterization of MFI–ceramic hollow fibres membranes: The nitrogen adsorption, X-ray diffractometry, scanning electron microscopy combined with X emission microanalysis. Scanning Electron Microscopy (SEM) and Energy Dispersive Microanalysis by the X-ray were used to observe the morphology of the hollow fibre membranes (thickness, infiltration into the carrier, defects, homogeneity). No surface film, has been obtained, as observed by SEM and EDX analysis and confirmed by high temperature variation of N2 and CO2 gas permeances before cation exchange. Local analysis and characterise (SEM and EDX) and overall (by ICP elemental analysis) were conducted on two samples exchanged to determine the quantity and distribution of the cation of cesium on the cross section fibre of the zeolite between the cavities.

Keywords: Physicochemical characterization of MFI, Ceramic hollow fibre, CO2, Ion-exchange.

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