Search results for: magnetic transitions
1240 Dy3+ Ions Doped Single and Mixed Alkali Fluoro Tungstunate Tellurite Glasses for Laser and White LED Applications
Authors: Allam Srinivasa Rao, Ch. Annapurna Devi, G. Vijaya Prakash
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A new-fangled series of white light emitting 1 mol% of Dy3+ ions doped Single-Alklai and Mixed-Alkai fluoro tungstunate tellurite glasses have been prepared using melt quenching technique and their spectroscopic behaviour was investigated by studying XRD, optical absorption, photoluminescence and lifetime measurements. The bonding parameter studies reveal the ionic nature of the Dy-O bond in the present glasses. From the absorption spectra, the Judd–Ofelt (J-O) intensity parameters have been determined which are used to explore the nature of bonding and symmetry orientation of the Dy–ligand field environment. The evaluated J-O parameters (Ω_4>Ω_2>Ω_6) for all the glasses are following the same trend. The photoluminescence spectra of all the glasses exhibit two intensified peaks in blue and Yellow regions corresponding to the transitions 4F9/2→6H15/2 (483 nm) and 4F9/2→6H13/2 (575 nm) respectively. From the photoluminescence spectra, it is observed that the luminescence intensity is maximum for Dy3+ ion doped potassium combination of fluoro tungstunate tellurite glass (TeWK: 1Dy). The J-O intensity parameters have been used to determine the various radiative properties for the different emission transitions from the 4F9/2 fluorescent level. The highest emission cross-section and branching ratio values observed for the 4F9/2→6H15/2 and 4F9/2→6H13/2 transitions suggest the possible laser action in the visible region from these glasses. By using the experimental lifetimes (τ_exp) measured from the decay spectral features and radiative lifetimes (τ_R), the quantum efficiencies (η) for all the glasses have been evaluated. Among all the glasses, the potassium combined fluoro tungstunate tellurite (TeWK:1Dy) glass has the highest quantum efficiency (94.6%). The CIE colour chromaticity coordinates (x, y), (u, v), colour correlated temperature (CCT) and Y/B ratio were also estimated from the photoluminescence spectra for different compositions of glasses. The (x, y) and (u, v) chromaticity colour coordinates fall within the white light region and the white light can be tuned by varying the composition of the glass. From all these studies, we are suggesting that the 1 mol% of Dy3+ ions doped TeWK glass is more suitable for lasing and White-LED applications.Keywords: dysprosium, Judd-Ofelt parameters, photo luminescence, tellurite glasses
Procedia PDF Downloads 2241239 Synthesis of Magnetic Chitosan Beads and Its Cross-Linked Derivatives for Sorption of Zinc Ions from Water Samples of Yamuna and Hindon Rivers in India
Authors: Priti Rani, Rajni Johar, P. S. Jassal
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The magnetic chitosan beads (MCB) were synthesized using co-precipitation method and made to react with epichlorohydrin (ECH) to get the cross-linked derivative (ECH-MCB). The beads were characterized by FTIR, SEM, EDX, and TGA. It is found that zinc metal ion sorption efficiency of ECH-MCB is significantly higher than MCB. Various factors affecting the uptake behavior of metal ions, such as pH, adsorbent dosage, contact time, and temperature effects, were investigated. The adsorption parameters fitted well with Langmuir and Freundlich isotherms. The equilibrium parameter RL values support that the adsorption (0 < RL < 1) is favorable and spontaneous process. The thermodynamic parameters confirm that it is an endothermic reaction, which results in an increase in the randomness of adsorption process. The beads were regenerated using ethylene diamine tetraacetic acid (EDTA) for further use. These beads prove as promising materials for the removal of pollutants from industrial wastewater. Water samples from Yamuna and Hindon rivers were analysed for the detection of Zn (II) ions.Keywords: chitosan magnetic beads, EDTA, epichlorohydrin, removal efficiency
Procedia PDF Downloads 1491238 Influence of an External Magnetic Field on the Acoustomagnetoelectric Field in a Rectangular Quantum Wire with an Infinite Potential by Using a Quantum Kinetic Equation
Authors: N. Q. Bau, N. V. Nghia
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The acoustomagnetoelectric (AME) field in a rectangular quantum wire with an infinite potential (RQWIP) is calculated in the presence of an external magnetic field (EMF) by using the quantum kinetic equation for the distribution function of electrons system interacting with external phonons and electrons scattering with internal acoustic phonon in a RQWIP. We obtained ananalytic expression for the AME field in the RQWIP in the presence of the EMF. The dependence of AME field on the frequency of external acoustic wave, the temperature T of system, the cyclotron frequency of the EMF and the intensity of the EMF is obtained. Theoretical results for the AME field are numerically evaluated, plotted and discussed for a specific RQWIP GaAs/GaAsAl. This result has shown that the dependence of the AME field on intensity of the EMF is nonlinearly and it is many distinct maxima in the quantized magnetic region. We also compared received fields with those for normal bulk semiconductors, quantum well and quantum wire to show the difference. The influence of an EMF on AME field in a RQWIP is newly developed.Keywords: rectangular quantum wire, acoustomagnetoelectric field, electron-phonon interaction, kinetic equation method
Procedia PDF Downloads 3361237 Spectroscopic Studies and Reddish Luminescence Enhancement with the Increase in Concentration of Europium Ions in Oxy-Fluoroborate Glasses
Authors: Mahamuda Sk, Srinivasa Rao Allam, Vijaya Prakash G.
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The different concentrations of Eu3+ ions doped in Oxy-fluoroborate glasses of composition 60 B2O3-10 BaF2-10 CaF2-15 CaF2- (5-x) Al2O3 -x Eu2O3 where x = 0.1, 0.5, 1.0 and 2.0 mol%, have been prepared by conventional melt quenching technique and are characterized through absorption and photoluminescence (PL), decay, color chromaticity and Confocal measurements. The absorption spectra of all the glasses consists of six peaks corresponding to the transitions 7F0→5D2, 7F0→5D1, 7F1→5D1, 7F1→5D0, 7F0→7F6 and 7F1→7F6 respectively. The experimental oscillator strengths with and without thermal corrections have been evaluated using absorption spectra. Judd-Ofelt (JO) intensity parameters (Ω2 and Ω4) have been evaluated from the photoluminescence spectra of all the glasses. PL spectra of all the glasses have been recorded at excitation wavelengths 395 nm (conventional excitation source) and 410 nm (diode laser) to observe the intensity variation in the PL spectra. All the spectra consists of five emission peaks corresponding to the transitions 5D0→7FJ (J = 0, 1, 2, 3 and 4). Surprisingly no concentration quenching is observed on PL spectra. Among all the glasses the glass with 2.0 mol% of Eu3+ ion concentration possesses maximum intensity for the transition 5D0→7F2 (612 nm) in bright red region. The JO parameters derived from the photoluminescence spectra have been used to evaluate the essential radiative properties such as transition probability (A), radiative lifetime (τR), branching ratio (βR) and peak stimulated emission cross-section (σse) for the 5D0→7FJ (J = 0, 1, 2, 3 and 4) transitions of the Eu3+ ions. The decay rates of the 5D0 fluorescent level of Eu3+ ions in the title glasses are found to be single exponential for all the studied Eu3+ ion concentrations. A marginal increase in lifetime of the 5D0 level has been noticed with increase in Eu3+ ion concentration from 0.1 mol% to 2.0 mol%. Among all the glasses, the glass with 2.0 mol% of Eu3+ ion concentration possesses maximum values of branching ratio, stimulated emission cross-section and quantum efficiency for the transition 5D0→7F2 (612 nm) in bright red region. The color chromaticity coordinates are also evaluated to confirm the reddish luminescence from these glasses. These color coordinates exactly fall in the bright red region. Confocal images also recorded to confirm reddish luminescence from these glasses. From all the obtained results in the present study, it is suggested that the glass with 2.0 mol% of Eu3+ ion concentration is suitable to emit bright red color laser.Keywords: Europium, Judd-Ofelt parameters, laser, luminescence
Procedia PDF Downloads 2411236 Antibacterial Activity of Noble Metal Functionalized Magnetic Core-Zeolitic Shell Nanostructures
Authors: Mohsen Padervand
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Functionalized magnetic core-zeolitic shell nanostructures were prepared by the hydrothermal and coprecipitation methods. The products were characterized by Vibrating Sample Magnetometer (VSM), X-ray powder diffraction (XRD), Fourier Transform Infrared spectra (FTIR), nitrogen adsorption-desorption isotherms (BET) and Transmission Electron Microscopy (TEM). The growth of mordenite nanoparticles on the surface of silica coated nickel ferrite nanoparticles at the presence of organic templates was well approved. The antibacterial activity of prepared samples was investigated by the inactivation of E.coli as a gram negative bacterium. A new mechanism was proposed to inactivate the bacterium over the prepared samples. Minimum Inhibitory Concentration (MIC) and reuse ability were studied too. TEM images of the destroyed microorganism after the treatment time were applied to illustrate the inactivation mechanism. The interaction of the noble metals with organic components on the surface of nanostructures studied theoretically and the results were used to interpret the experimental results.Keywords: nickel ferrite nanoparticles, magnetic core-zeolitic shell, antibacterial activity, E. coli
Procedia PDF Downloads 3311235 An Automated Magnetic Dispersive Solid-Phase Extraction Method for Detection of Cocaine in Human Urine
Authors: Feiyu Yang, Chunfang Ni, Rong Wang, Yun Zou, Wenbin Liu, Chenggong Zhang, Fenjin Sun, Chun Wang
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Cocaine is the most frequently used illegal drug globally, with the global annual prevalence of cocaine used ranging from 0.3% to 0.4 % of the adult population aged 15–64 years. Growing consumption trend of abused cocaine and drug crimes are a great concern, therefore urine sample testing has become an important noninvasive sampling whereas cocaine and its metabolites (COCs) are usually present in high concentrations and relatively long detection windows. However, direct analysis of urine samples is not feasible because urine complex medium often causes low sensitivity and selectivity of the determination. On the other hand, presence of low doses of analytes in urine makes an extraction and pretreatment step important before determination. Especially, in gathered taking drug cases, the pretreatment step becomes more tedious and time-consuming. So developing a sensitive, rapid and high-throughput method for detection of COCs in human body is indispensable for law enforcement officers, treatment specialists and health officials. In this work, a new automated magnetic dispersive solid-phase extraction (MDSPE) sampling method followed by high performance liquid chromatography-mass spectrometry (HPLC-MS) was developed for quantitative enrichment of COCs from human urine, using prepared magnetic nanoparticles as absorbants. The nanoparticles were prepared by silanizing magnetic Fe3O4 nanoparticles and modifying them with divinyl benzene and vinyl pyrrolidone, which possesses the ability for specific adsorption of COCs. And this kind of magnetic particle facilitated the pretreatment steps by electromagnetically controlled extraction to achieve full automation. The proposed device significantly improved the sampling preparation efficiency with 32 samples in one batch within 40mins. Optimization of the preparation procedure for the magnetic nanoparticles was explored and the performances of magnetic nanoparticles were characterized by scanning electron microscopy, vibrating sample magnetometer and infrared spectra measurements. Several analytical experimental parameters were studied, including amount of particles, adsorption time, elution solvent, extraction and desorption kinetics, and the verification of the proposed method was accomplished. The limits of detection for the cocaine and cocaine metabolites were 0.09-1.1 ng·mL-1 with recoveries ranging from 75.1 to 105.7%. Compared to traditional sampling method, this method is time-saving and environmentally friendly. It was confirmed that the proposed automated method was a kind of highly effective way for the trace cocaine and cocaine metabolites analyses in human urine.Keywords: automatic magnetic dispersive solid-phase extraction, cocaine detection, magnetic nanoparticles, urine sample testing
Procedia PDF Downloads 2041234 Adsorption and Selective Determination Ametryne in Food Sample Using of Magnetically Separable Molecular Imprinted Polymers
Authors: Sajjad Hussain, Sabir Khan, Maria Del Pilar Taboada Sotomayor
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This work demonstrates the synthesis of magnetic molecularly imprinted polymers (MMIPs) for determination of a selected pesticide (ametryne) using high performance liquid chromatography (HPLC). Computational simulation can assist the choice of the most suitable monomer for the synthesis of polymers. The (MMIPs) were polymerized at the surface of Fe3O4@SiO2 magnetic nanoparticles (MNPs) using 2-vinylpyradine as functional monomer, ethylene-glycol-dimethacrylate (EGDMA) is a cross-linking agent and 2,2-Azobisisobutyronitrile (AIBN) used as radical initiator. Magnetic non-molecularly imprinted polymer (MNIPs) was also prepared under the same conditions without analyte. The MMIPs were characterized by scanning electron microscopy (SEM), Brunauer, Emmett and Teller (BET) and Fourier transform infrared spectroscopy (FTIR). Pseudo first order and pseudo second order model were applied to study kinetics of adsorption and it was found that adsorption process followed the pseudo first order kinetic model. Adsorption equilibrium data was fitted to Freundlich and Langmuir isotherms and the sorption equilibrium process was well described by Langmuir isotherm mode. The selectivity coefficients (α) of MMIPs for ametryne with respect to atrazine, ciprofloxacin and folic acid were 4.28, 12.32, and 14.53 respectively. The spiked recoveries ranged between 91.33 and 106.80% were obtained. The results showed high affinity and selectivity of MMIPs for pesticide ametryne in the food samples.Keywords: molecularly imprinted polymer, pesticides, magnetic nanoparticles, adsorption
Procedia PDF Downloads 4861233 Flux-Gate vs. Anisotropic Magneto Resistance Magnetic Sensors Characteristics in Closed-Loop Operation
Authors: Neoclis Hadjigeorgiou, Spyridon Angelopoulos, Evangelos V. Hristoforou, Paul P. Sotiriadis
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The increasing demand for accurate and reliable magnetic measurements over the past decades has paved the way for the development of different types of magnetic sensing systems as well as of more advanced measurement techniques. Anisotropic Magneto Resistance (AMR) sensors have emerged as a promising solution for applications requiring high resolution, providing an ideal balance between performance and cost. However, certain issues of AMR sensors such as non-linear response and measurement noise are rarely discussed in the relevant literature. In this work, an analog closed loop compensation system is proposed, developed and tested as a means to eliminate the non-linearity of AMR response, reduce the 1/f noise and enhance the sensitivity of magnetic sensor. Additional performance aspects, such as cross-axis and hysteresis effects are also examined. This system was analyzed using an analytical model and a P-Spice model, considering both the sensor itself as well as the accompanying electronic circuitry. In addition, a commercial closed loop architecture Flux-Gate sensor (calibrated and certified), has been used for comparison purposes. Three different experimental setups have been constructed for the purposes of this work, each one utilized for DC magnetic field measurements, AC magnetic field measurements and Noise density measurements respectively. The DC magnetic field measurements have been conducted in laboratory environment employing a cubic Helmholtz coil setup in order to calibrate and characterize the system under consideration. A high-accuracy DC power supply has been used for providing the operating current to the Helmholtz coils. The results were recorded by a multichannel voltmeter The AC magnetic field measurements have been conducted in laboratory environment employing a cubic Helmholtz coil setup in order to examine the effective bandwidth not only of the proposed system but also for the Flux-Gate sensor. A voltage controlled current source driven by a function generator has been utilized for the Helmholtz coil excitation. The result was observed by the oscilloscope. The third experimental apparatus incorporated an AC magnetic shielding construction composed of several layers of electric steel that had been demagnetized prior to the experimental process. Each sensor was placed alone and the response was captured by the oscilloscope. The preliminary experimental results indicate that closed loop AMR response presented a maximum deviation of 0.36% with respect to the ideal linear response, while the corresponding values for the open loop AMR system and the Fluxgate sensor reached 2% and 0.01% respectively. Moreover, the noise density of the proposed close loop AMR sensor system remained almost as low as the noise density of the AMR sensor itself, yet considerably higher than that of the Flux-Gate sensor. All relevant numerical data are presented in the paper.Keywords: AMR sensor, chopper, closed loop, electronic noise, magnetic noise, memory effects, flux-gate sensor, linearity improvement, sensitivity improvement
Procedia PDF Downloads 4201232 The Regulation on Human Exposure to Electromagnetic Fields for Brazilian Power System
Authors: Hugo Manoel Olivera Da Silva, Ricardo Silva Thé Pontes
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In this work, is presented an analysis of the Brazilian regulation on human exposure to electromagnetic fields, which provides limits to electric fields, magnetic and electromagnetic fields. The regulations for the electricity sector was in charge of the Agência Nacional de Energia Elétrica-ANEEL, the Brazilian Electricity Regulatory Agency, that made it through the Normative Resolution Nº 398/2010, resulting in a series of obligations for the agents of the electricity sector, especially in the areas of generation, transmission, and distribution.Keywords: adverse effects, electric energy, electric and magnetic fields, human health, regulation
Procedia PDF Downloads 6061231 Effect of Viscosity on Propagation of MHD Waves in Astrophysical Plasma
Authors: Alemayehu Mengesha, Solomon Belay
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We determine the general dispersion relation for the propagation of magnetohydrodynamic (MHD) waves in an astrophysical plasma by considering the effect of viscosity with an anisotropic pressure tensor. Basic MHD equations have been derived and linearized by the method of perturbation to develop the general form of the dispersion relation equation. Our result indicates that an astrophysical plasma with an anisotropic pressure tensor is stable in the presence of viscosity and a strong magnetic field at considerable wavelength. Currently, we are doing the numerical analysis of this work.Keywords: astrophysical, magnetic field, instability, MHD, wavelength, viscosity
Procedia PDF Downloads 3431230 Particle Size Dependent Magnetic Properties of CuFe2O4 Spinel Ferrite Nanoparticles Synthesized by Starch-Assisted Sol-Gel Auto-Combustion Method
Authors: R. S. Yadav, J. Havlica, I. Kuřitka, Z. Kozakova, J. Masilko, L. Kalina, M. Hajdúchová, V. Enev, J. Wasserbauer
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In this work, copper ferrite CuFe2O4 spinel ferrite nanoparticles with different particle size at different annealing temperature were synthesized using the starch-assisted sol-gel auto-combustion method. The synthesized nanoparticles were characterized by conventional powder X-ray diffraction (XRD) spectroscopy, Raman Spectroscopy, Fourier Transform Infrared Spectroscopy, Field-Emission Scanning Electron Microscopy, X-ray Photoelectron Spectroscopy, and Vibrating Sample Magnetometer. The XRD patterns confirmed the formation of CuFe2O4 spinel ferrite nanoparticles. Field-Emission Scanning Electron Microscopy revealed that particles are of spherical morphology with particle size 5-20 nm at lower annealing temperature. An infrared spectroscopy study showed the presence of two principal absorption bands in the frequency range around 530 cm-1 (ν1) and around 360 cm-1 (ν2); which indicate the presence of tetrahedral and octahedral group complexes, respectively, within the spinel ferrite nanoparticles. Raman spectroscopy study also indicated the change in octahedral and tetrahedral site related Raman modes in copper ferrite nanoparticles with change of particle size. This change in magnetic behavior with change of particle size of CuFe2O4 nanoparticles was also observed. The change in magnetic properties with change of particle size is due to cation redistribution, which was confirmed by X-Ray photoelectron study.Keywords: copper ferrite, nanoparticles, magnetic property, CuFe2O4
Procedia PDF Downloads 4601229 New Teaching Tools for a Modern Representation of Chemical Bond in the Course of Food Science
Authors: Nicola G. G. Cecca
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In Italian IPSSEOAs, high schools that give a vocational education to students that will work in the field of Enogastronomy and Hotel Management, the course of Food Science allows the students to start and see food as a mixture of substances that they will transform during their profession. These substances are characterized not only by a chemical composition but also by a molecular structure that makes them nutritionally active. But the increasing number of new products proposed by Food Industry, the modern techniques of production and transformation, the innovative preparations required by customers have made many information reported in the most wide spread Food Science textbooks not up-to-date or too poor for the people who will work in catering sector. Often Authors offer information aged to Bohr’s Atomic Model and to the ‘Octet Rule’ proposed by G.N. Lewis to describe the Chemical Bond, without giving any reference to new as Orbital Atomic Model and Molecular Orbital Theory that, in the meantime, start to be old themselves. Furthermore, this antiquated information precludes an easy understanding of a wide range of properties of nutritive substances and many reactions in which the food constituents are involved. In this paper, our attention is pointed out to use GEOMAG™ to represent the dynamics with which the chemical bond is formed during the synthesis of the molecules. GEOMAG™ is a toy, produced by the Swiss Company Geomagword S.A., pointed to stimulate in children, aged between 6-10 years, their fantasy and their handling ability and constituted by metallic spheres and metallic magnetic bars coated by coloured plastic materials. The simulation carried out with GEOMAG™ is based on the similitude existing between the Coulomb’s force and the magnetic attraction’s force and in particular between the formulae with which they are calculated. The electrostatic force (F in Newton) that allows the formation of the chemical bond can be calculated by mean Fc = kc q1 q2/d2 where: q1 e q2 are the charge of particles [in Coulomb], d is the distance between the particles [in meters] and kc is the Coulomb’s constant. It is surprising to observe that the attraction’s force (Fm) acting between the magnetic extremities of GEOMAG™ used to simulate the chemical bond can be calculated in the same way by using the formula Fm = km m1 m2/d2 where: m1 e m2 represent the strength of the poles [A•m], d is the distance between the particles [m], km = μ/4π in which μ is the magnetic permeability of medium [N•A-2]. The magnetic attraction can be tested by students by trying to keep the magnetic elements of GEOMAG™ separate by hands or trying to measure by mean an appropriate dynamometric system. Furthermore, by using a dynamometric system to measure the magnetic attraction between the GEOMAG™ elements is possible draw a graphic F=f(d) to verify that the curve obtained during the simulation is very similar to that one hypnotized, around the 1920’s by Linus Pauling to describe the formation of H2+ in according with Molecular Orbital Theory.Keywords: chemical bond, molecular orbital theory, magnetic attraction force, GEOMAG™
Procedia PDF Downloads 2671228 Magnetic Solvent Extraction Using Nanoparticles Coated by Oleic Acid
Authors: Natália C. C. Lobato, Ângela M. Ferreira, Marcelo B. Mansur
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In solvent extraction operations, large sedimentation areas in the mixer-settler are required when the disengagement of the aqueous and the organic phases is slow and/or difficult. The use of a magnetic organic liquid (also known as ferrofluid), consisting of magnetite nanoparticles coated by oleic acid dispersed in the organic diluent, has proven successful to speed up phase disengagement. The method, however, has never been used industrially; therefore, the aim of this study is to raise its main limitations. Tests were carried out using a ferrofluid containing 30 g/l of magnetite dissolved in commercial aliphatic kerosene Exxsol D80. The efficiency of cobalt extraction ([Co] = 1 g/l) with 10% v/v Cyanex 272 (bis-2,4,4-trimethylpentyl phosphinic acid) at changing pH of the aqueous phase (2 to 7) was found unaffected in the conditions studied. However, the chemical resistance of the ferrofluid in contact with deionized water at changing acidity (from 10-7 to 2 mol/l) revealed that the nanoparticles are not resistant when contacted to aqueous solutions with a pH ≤ 2. Such result represents a serious limitation to the applicability of the method mainly to hydrometallurgical systems because solvent extraction operations are normally done in acid conditions, therefore more effective strategies to coat the particles are required.Keywords: magnetic solvent extraction, oleic acid, magnetite nanoparticles, cyanex 272
Procedia PDF Downloads 3951227 Tuning Nanomechanical Properties of Stimuli-Responsive Hydrogel Nanocomposite Thin Films for Biomedical Applications
Authors: Mallikarjunachari Gangapuram
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The design of stimuli-responsive hydrogel nanocomposite thin films is gaining significant attention in these days due to its wide variety of applications. Soft microrobots, drug delivery, biosensors, regenerative medicine, bacterial adhesion, energy storage and wound dressing are few advanced applications in different fields. In this research work, the nanomechanical properties of composite thin films of 20 microns were tuned by applying homogeneous external DC, and AC magnetic fields of magnitudes 0.05 T and 0.1 T. Polyvinyl alcohol (PVA) used as a matrix material and elliptical hematite nanoparticles (ratio of the length of the major axis to the length of the minor axis is 140.59 ± 1.072 nm/52.84 ± 1.072 nm) used as filler materials to prepare the nanocomposite thin films. Both quasi-static nanoindentation, Nano Dynamic Mechanical Analysis (Nano-DMA) tests were performed to characterize the viscoelastic properties of PVA, PVA+Hematite (0.1% wt, 2% wt and 4% wt) nanocomposites. Different properties such as storage modulus, loss modulus, hardness, and Er/H were carefully analyzed. The increase in storage modulus, hardness, Er/H and a decrease in loss modulus were observed with increasing concentration and DC magnetic field followed by AC magnetic field. Contact angle and ATR-FTIR experiments were conducted to understand the molecular mechanisms such as hydrogen bond formation, crosslinking density, and particle-particle interactions. This systematic study is helpful in design and modeling of magnetic responsive hydrogel nanocomposite thin films for biomedical applications.Keywords: hematite, hydrogel, nanoindentation, nano-DMA
Procedia PDF Downloads 1921226 Preparation of Magnetothermally Responsive Polymer Multilayer Films for Controlled Release Applications from Surfaces
Authors: Eda Cagli, Irem Erel Goktepe
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Externally triggered and effective release of therapeutics from polymer nanoplatforms is one of the key issues in cancer treatment. In this study, we aim to prepare polymer multilayer films which are stable at physiological conditions (little or no drug release) but release drug molecules at acidic pH and via application of AC magnetic field. First, novel stimuli responsive diblock copolymers composed of pH- and temperature-responsive blocks were synthesized. Then, block copolymer micelles with pH-responsive core and temperature responsive coronae will be obtained via pH-induced self-assembly of these block copolymers in aqueous environment. A model anticancer drug, e.g. Doxorubicin will be loaded in the micellar cores. Second, superparamagnetic nanoparticles will be synthesized. Magnetic nanoparticles and drug loaded block copolymer micelles will be used as building blocks to construct the multilayers. To mimic the acidic nature of the tumor tissues, Doxorubicin release from the micellar cores will be induced at acidic conditions. Moreover, Doxorubicin release from the multilayers will be facilitated via magnetothermal trigger. Application of AC magnetic field will induce the heating of magnetic nanoparticles resulting in an increase in the temperature of the polymer platform. This increase in temperature is expected to trigger conformational changes on the temperature-responsive micelle coronae and facilitate the release of Doxorubicin from the surface. Such polymer platform may find use in biomedical applications.Keywords: layer-by-layer films, magnetothermal trigger, smart polymers, stimuli responsive
Procedia PDF Downloads 3641225 Aeromagnetic Data Interpretation and Source Body Evaluation Using Standard Euler Deconvolution Technique in Obudu Area, Southeastern Nigeria
Authors: Chidiebere C. Agoha, Chukwuebuka N. Onwubuariri, Collins U.amasike, Tochukwu I. Mgbeojedo, Joy O. Njoku, Lawson J. Osaki, Ifeyinwa J. Ofoh, Francis B. Akiang, Dominic N. Anuforo
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In order to interpret the airborne magnetic data and evaluate the approximate location, depth, and geometry of the magnetic sources within Obudu area using the standard Euler deconvolution method, very high-resolution aeromagnetic data over the area was acquired, processed digitally and analyzed using Oasis Montaj 8.5 software. Data analysis and enhancement techniques, including reduction to the equator, horizontal derivative, first and second vertical derivatives, upward continuation and regional-residual separation, were carried out for the purpose of detailed data Interpretation. Standard Euler deconvolution for structural indices of 0, 1, 2, and 3 was also carried out and respective maps were obtained using the Euler deconvolution algorithm. Results show that the total magnetic intensity ranges from -122.9nT to 147.0nT, regional intensity varies between -106.9nT to 137.0nT, while residual intensity ranges between -51.5nT to 44.9nT clearly indicating the masking effect of deep-seated structures over surface and shallow subsurface magnetic materials. Results also indicated that the positive residual anomalies have an NE-SW orientation, which coincides with the trend of major geologic structures in the area. Euler deconvolution for all the considered structural indices has depth to magnetic sources ranging from the surface to more than 2000m. Interpretation of the various structural indices revealed the locations and depths of the source bodies and the existence of geologic models, including sills, dykes, pipes, and spherical structures. This area is characterized by intrusive and very shallow basement materials and represents an excellent prospect for solid mineral exploration and development.Keywords: Euler deconvolution, horizontal derivative, Obudu, structural indices
Procedia PDF Downloads 811224 Use of Magnetically Separable Molecular Imprinted Polymers for Determination of Pesticides in Food Samples
Authors: Sabir Khan, Sajjad Hussain, Ademar Wong, Maria Del Pilar Taboada Sotomayor
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The present work aims to develop magnetic molecularly imprinted polymers (MMIPs) for determination of a selected pesticide (ametryne) using high-performance liquid chromatography (HPLC). Computational simulation can assist the choice of the most suitable monomer for the synthesis of polymers. The (MMIPs) were polymerized at the surface of Fe3O4@SiO2 magnetic nanoparticles (MNPs) using 2-vinylpyradine as functional monomer, ethylene-glycol-dimethacrylate (EGDMA) is a cross-linking agent and 2,2-Azobisisobutyronitrile (AIBN) used as radical initiator. Magnetic non-molecularly imprinted polymer (MNIPs) was also prepared under the same conditions without analyte. The MMIPs were characterized by scanning electron microscopy (SEM), Brunauer, Emmett and Teller (BET) and Fourier transform infrared spectroscopy (FTIR). Pseudo first-order and pseudo second order model were applied to study kinetics of adsorption and it was found that adsorption process followed the pseudo-first-order kinetic model. Adsorption equilibrium data was fitted to Freundlich and Langmuir isotherms and the sorption equilibrium process was well described by Langmuir isotherm mode. The selectivity coefficients (α) of MMIPs for ametryne with respect to atrazine, ciprofloxacin and folic acid were 4.28, 12.32 and 14.53 respectively. The spiked recoveries ranged between 91.33 and 106.80% were obtained. The results showed high affinity and selectivity of MMIPs for pesticide ametryne in the food samples.Keywords: molecularly imprinted polymer, pesticides, magnetic nanoparticles, adsorption
Procedia PDF Downloads 4661223 Social Aspect in Energy Transition in Frankfurt (Main)
Authors: M. Mokrzecka, A. Aly, A. K. Obwona, Piotrowska M., Richardson S.
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Frankfurt am Main, the fifth largest city in Germany, ranked 15th by the Global Financial Centers Index in 2014, and a finalist of European Green Capital 2014, is a crucial player in German Environmental Policy. In 2012 the city authorities agreed a target to reduce the city’s energy consumption by 50%, and fully switch to renewable energy by the year 2050. To achieve this goal, the Municipality of Frankfurt has begun preparing the Master plan, which will be introduced to public by the end of 2015. Transitions theory tells, that to address challenges as complex as Climate Change and the Energiewende, the development of new technologies and systems is not sufficient. Transition by definition is a process, and in such a large scale (city and region transition) can be fulfilled only, when operates within a broad socio – technical system. Thus, the Authors believe that only by close cooperation with citizens, as well as different stakeholders, can the Transition in Frankfurt be successful. The city therefore needs a strategy which will ensure the engagement, sense of ownership and broad support within Frankfurt society for the aims of the Master plan. This paper presents a proposal for how the city can achieve this based therefore, on fostering the citizens’ engagement through a comprehensive, innovative communication strategy. The proposal was originally developed by the authors as a winning submission for the Climate-KIC Transitions PhD Summer School 2014..Keywords: city development, communication strategies, social transition, sustainability
Procedia PDF Downloads 3131222 Theoretical and Experimental Investigation of Fe and Ni-TCNQ on Graphene
Authors: A. Shahsavar, Z. Jakub
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Due to the outstanding properties of the 2D metal-organic frameworks (MOF), intensive computational and experimental studies have been done. However, the lack of fundamental studies of MOFs on the graphene backbone is observed. This work studies Fe and Ni as metal and tetracyanoquinodimethane (TCNQ) with a high electron affinity as an organic linker functionalized on graphene. Here we present DFT calculations results to unveil the electronic and magnetic properties of iron and nickel-TCNQ physisorbed on graphene. Adsorption and Fermi energies, structural, and magnetic properties will be reported. Our experimental observations prove Fe- and NiTCNQ@Gr/Ir(111) are thermally highly stable up to 500 and 250°C, respectively, making them promising materials for single-atom catalysts or high-density storage media.Keywords: DFT, graphene, MTCNQ, self-assembly
Procedia PDF Downloads 1321221 Size, Shape, and Compositional Effects on the Order-Disorder Phase Transitions in Au-Cu and Pt-M (M = Fe, Co, and Ni) Nanocluster Alloys
Authors: Forrest Kaatz, Adhemar Bultheel
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Au-Cu and Pt-M (M = Fe, Co, and Ni) nanocluster alloys are currently being investigated worldwide by many researchers for their interesting catalytic and nanophase properties. The low-temperature behavior of the phase diagrams is not well understood for alloys with nanometer sizes and shapes. These systems have similar bulk phase diagrams with the L12 (Au3Cu, Pt3M, AuCu3, and PtM3) structurally ordered intermetallics and the L10 structure for the AuCu and PtM intermetallics. We consider three models for low temperature ordering in the phase diagrams of Au–Cu and Pt–M nanocluster alloys. These models are valid for sizes ~ 5 nm and approach bulk values for sizes ~ 20 nm. We study the phase transition in nanoclusters with cubic, octahedral, and cuboctahedral shapes, covering the compositions of interest. These models are based on studying the melting temperatures in nanoclusters using the regular solution, mixing model for alloys. Experimentally, it is extremely challenging to determine thermodynamic data on nano–sized alloys. Reasonable agreement is found between these models and recent experimental data on nanometer clusters in the Au–Cu and Pt–M nanophase systems. From our data, experiments on nanocubes about 5 nm in size, of stoichiometric AuCu and PtM composition, could help differentiate between the models. Some available evidence indicates that ordered intermetallic nanoclusters have better catalytic properties than disordered ones. We conclude with a discussion of physical mechanisms whereby ordering could improve the catalytic properties of nanocluster alloys.Keywords: catalytic reactions, gold nanoalloys, phase transitions, platinum nanoalloys
Procedia PDF Downloads 1751220 Structural, Vibrational, Magnetic, and Electronic Properties of La₂MMnO₆ Double Perovskites with M = Ni, Co, and Zn
Authors: Hamza Ouachtouk, Amine Harbi, Said Azerblou, Youssef Naimi, El Mostafa Tace
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This study delves into the structural, vibrational, magnetic, and electronic properties of La₂MMnO₆ double perovskites, where M denotes Ni, Co, and Zn. Recognized for their versatile ionic configurations within the A and B sub-lattices, double perovskite oxides have attracted considerable interest due to their extensive array of physical properties, which include multiferroic behavior, colossal magnetoresistance, and ferroelectric/piezoelectric functionalities. These materials are pivotal for energy-related technologies like solid oxide fuel cells and water-splitting catalysis, attributed to their superior oxygen ion transport and storage capabilities. This research places particular emphasis on La₂NiMnO₆ and La₂CoMnO₆, known for their distinct magnetic, electric, and multiferroic properties, and extends the investigation to La₂ZnMnO₆, synthesized via high-temperature solid-state chemistry. This addition aims to ascertain the impact of zinc substitution on these properties. Structural analysis through X-ray diffraction has confirmed a monoclinic structure within the P2₁/n space group. Comprehensive vibrational studies utilizing infrared and Raman spectroscopy, alongside additional XRD assessments, provide a detailed examination of the dynamic and electronic behaviors of these compounds. The results underscore the significant role of chemical composition in modulating their functional properties. Comparatively, this study highlights that zinc substitution notably alters the electronic and magnetic responses, which could enhance the applicability of these materials in advanced energy technologies. This expanded analysis not only reinforces our understanding of La₂MMnO₆'s physical characteristics but also highlights its potential applications in the next generation of energy solutions.Keywords: double perovskites, structural analysis, vibrational spectroscopy, magnetic properties, electronic properties, high-temperature solid-state chemistry, La₂MMnO₆, monoclinic structure, x-ray diffraction
Procedia PDF Downloads 531219 Coils and Antennas Fabricated with Sewing Litz Wire for Wireless Power Transfer
Authors: Hikari Ryu, Yuki Fukuda, Kento Oishi, Chiharu Igarashi, Shogo Kiryu
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Recently, wireless power transfer has been developed in various fields. Magnetic coupling is popular for feeding power at a relatively short distance and at a lower frequency. Electro-magnetic wave coupling at a high frequency is used for long-distance power transfer. The wireless power transfer has attracted attention in e-textile fields. Rigid batteries are required for many body-worn electric systems at the present time. The technology enables such batteries to be removed from the systems. Flexible coils have been studied for such applications. Coils with a high Q factor are required in the magnetic-coupling power transfer. Antennas with low return loss are needed for the electro-magnetic coupling. Litz wire is so flexible to fabricate coils and antennas sewn on fabric and has low resistivity. In this study, the electric characteristics of some coils and antennas fabricated with the Litz wire by using two sewing techniques are investigated. As examples, a coil and an antenna are described. Both were fabricated with 330/0.04 mm Litz wire. The coil was a planar coil with a square shape. The outer side was 150 mm, the number of turns was 15, and the pitch interval between each turn was 5 mm. The Litz wire of the coil was overstitched with a sewing machine. The coil was fabricated as a receiver coil for a magnetic coupled wireless power transfer. The Q factor was 200 at a frequency of 800 kHz. A wireless power system was constructed by using the coil. A power oscillator was used in the system. The resonant frequency of the circuit was set to 123 kHz, where the switching loss of power FETs was small. The power efficiencies were 0.44 – 0.99, depending on the distance between the transmitter and receiver coils. As an example of an antenna with a sewing technique, a fractal pattern antenna was stitched on a 500 mm x 500 mm fabric by using a needle punch method. The pattern was the 2nd-oder Vicsec fractal. The return loss of the antenna was -28 dB at a frequency of 144 MHz.Keywords: e-textile, flexible coils and antennas, Litz wire, wireless power transfer
Procedia PDF Downloads 1331218 Social and Economic Aspects of Unlikely but Still Possible Welfare to Work Transitions from Long-Term Unemployed
Authors: Andreas Hirseland, Lukas Kerschbaumer
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In Germany, during the past years there constantly are about one million long term unemployed who did not benefit from the prospering labor market while most short term unemployed did. Instead, they are continuously dependent on welfare and sometimes precarious short-term employment, experiencing work poverty. Long term unemployment thus turns into a main obstacle to regular employment, especially if accompanied by other impediments such as low level education (school/vocational), poor health (especially chronical illness), advanced age (older than fifty), immigrant status, motherhood or engagement in care for other relatives. Almost two thirds of all welfare recipients have multiple impediments which hinder a successful transition from welfare back to sustainable and sufficient employment. Hiring them is often considered as an investment too risky for employers. Therefore formal application schemes based on formal qualification certificates and vocational biographies might reduce employers’ risks but at the same time are not helpful for long-term unemployed and welfare recipients. The panel survey ‘Labor market and social security’ (PASS; ~15,000 respondents in ~10,000 households), carried out by the Institute of Employment Research (the research institute of the German Federal Labor Agency), shows that their chance to get back to work tends to fall to nil. Only 66 cases of such unlikely transitions could be observed. In a sequential explanatory mixed-method study, the very scarce ‘success stories’ of unlikely transitions from long term unemployment to work were explored by qualitative inquiry – in-depth interviews with a focus on biography accompanied by qualitative network techniques in order to get a more detailed insight of relevant actors involved in the processes which promote the transition from being a welfare recipient to work. There is strong evidence that sustainable transitions are influenced by biographical resources like habits of network use, a set of informal skills and particularly a resilient way of dealing with obstacles, combined with contextual factors rather than by job-placement procedures promoted by Job-Centers according to activation rules or by following formal paths of application. On the employer’s side small and medium-sized enterprises are often found to give job opportunities to a wider variety of applicants, often based on a slow but steadily increasing relationship leading to employment. According to these results it is possible to show and discuss some limitations of (German) activation policies targeting welfare dependency and long-term unemployment. Based on these findings, indications for more supportive small scale measures in the field of labor-market policies are suggested to help long-term unemployed with multiple impediments to overcome their situation.Keywords: against-all-odds, economic sociology, long-term unemployment, mixed-methods
Procedia PDF Downloads 2381217 Iron Oxide Nanoparticles: Synthesis, Properties, and Environmental Application
Authors: Shalini Rajput, Dinesh Mohan
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Water is the most important and essential resources for existing of life on the earth. Water quality is gradually decreasing due to increasing urbanization and industrialization and various other developmental activities. It can pose a threat to the environment and public health therefore it is necessary to remove hazardous contaminants from wastewater prior to its discharge to the environment. Recently, magnetic iron oxide nanoparticles have been arise as significant materials due to its distinct properties. This article focuses on the synthesis method with a possible mechanism, structure and application of magnetic iron oxide nanoparticles. The various characterization techniques including X-ray diffraction, transmission electron microscopy, scanning electron microscopy with energy dispersive X-ray, Fourier transform infrared spectroscopy and vibrating sample magnetometer are useful to describe the physico-chemical properties of nanoparticles. Nanosized iron oxide particles utilized for remediation of contaminants from aqueous medium through adsorption process. Due to magnetic properties, nanoparticles can be easily separate from aqueous media. Considering the importance and emerging trend of nanotechnology, iron oxide nanoparticles as nano-adsorbent can be of great importance in the field of wastewater treatment.Keywords: nanoparticles, adsorption, iron oxide, nanotechnology
Procedia PDF Downloads 5561216 Identification of Three Strategies to Enhance University Students’ Professional Identity, Using Hierarchical Regression Analysis
Authors: Alba Barbara-i-Molinero, Rosalia Cascon-Pereira, Ana Beatriz Hernandez
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Students’ transitions from high school to the university have been challenged by the lack of continuity between both contexts. This mismatch directly affects students by generating feelings of anxiety and uncertainty, which increases the dropout rates and reduces students’ academic success. This discontinuity emanates because ‘transitions concern a restructuring of what the person does and who the person perceives him or herself to be’. Hence, identity becomes essential in these transitions. Generally, identity is the answer to questions such as who am I? or who are we? This is integrated by personal identity, and as many social identities as groups, the individual feels he/she is a part. A case in point to construct a social identity is the identification with a profession. For this reason, a way to lighten the generated tension during transitions is applying strategies orientated to enhance students’ professional identity in their point of entry to the higher education institution. That would create a sense of continuity between high school and higher education contexts, increasing their Professional Identity Strength. To develop the strategies oriented to enhance students Professional Identity, it is important to analyze what influences it. There exist several influencing factors that influence Professional Identity (e.g., professional status, the recommendation of family and peers, the academic environment, or the chosen bachelor degree). There is a gap in the literature analyzing the impact of these factors on more than one bachelor degree. In this regards, our study takes an additional step with the aim of evaluating the influence of several factors on Professional Identity using a cohort of university students from multiple degrees between the ages of 17-19 years. To do so, we used hierarchical regression analyses to assess the impact of the following factors: External Motivation Conditionals (EMC), Educational Experience Conditionals (EEC) and Personal Motivational Conditional (PMP). After conducting the analyses, we found that the assessed factors influenced students’ professional identity differently according to their bachelor degree and discipline. For example, PMC and EMC positively affected science students, while architecture, law and economics and engineering students were just influenced by PMC. Basing on that influences, we proposed three different strategies aimed to enhance students’ professional identity, in the short and long term. These strategies are: to enhance students’ professional identity before the incorporation to university through campuses and icebreaker activities; to apply recruitment strategies aimed to provide realistic information of the bachelor degree; and to incorporate different activities, such as in-vitro, in situ and self-directed activities aimed to enhance longitudinally students’ professional identity from the university. From these results, theoretical contributions and practical implications arise. First, we contribute to the literature by identifying which factors influence students from different bachelor degrees since there is still no evidence. And, second, using as a benchmark the obtained results, we contribute from a practical perspective, by proposing several alternative strategies to increase students’ professional identity strength aiming to lighten their transition from high school to higher education.Keywords: professional identity, higher education, educational strategies , students
Procedia PDF Downloads 1441215 Automatic Teller Machine System Security by Using Mobile SMS Code
Authors: Husnain Mushtaq, Mary Anjum, Muhammad Aleem
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The main objective of this paper is used to develop a high security in Automatic Teller Machine (ATM). In these system bankers will collect the mobile numbers from the customers and then provide a code on their mobile number. In most country existing ATM machine use the magnetic card reader. The customer is identifying by inserting an ATM card with magnetic card that hold unique information such as card number and some security limitations. By entering a personal identification number, first the customer is authenticated then will access bank account in order to make cash withdraw or other services provided by the bank. Cases of card fraud are another problem once the user’s bank card is missing and the password is stolen, or simply steal a customer’s card & PIN the criminal will draw all cash in very short time, which will being great financial losses in customer, this type of fraud has increase worldwide. So to resolve this problem we are going to provide the solution using “Mobile SMS code” and ATM “PIN code” in order to improve the verify the security of customers using ATM system and confidence in the banking area.Keywords: PIN, inquiry, biometric, magnetic strip, iris recognition, face recognition
Procedia PDF Downloads 3641214 Magnetoelastically Induced Perpendicular Magnetic Anisotropy and Perpendicular Exchange Bias of CoO/CoPt Multilayer Films
Authors: Guo Lei, Wang Yue, Nakamura Yoshio, Shi Ji
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Recently, perpendicular exchange bias (PEB) is introduced as an active topic attracting continuous efforts. Since its discovery, extrinsic control of PEB has been proposed, due to its scientific significance in spintronic devices and potential application in high density magnetic random access memory with perpendicular magnetic tunneling junction (p-MTJ). To our knowledge, the researches aiming to controlling PEB so far are focused mainly on enhancing the interfacial exchange coupling by adjusting the FM/AFM interface roughness, or optimizing the crystalline structures of FM or AFM layer by employing different seed layers. In present work, the effects of magnetoelastically induced PMA on PEB have been explored in [CoO5nm/CoPt5nm]5 multilayer films. We find the PMA strength of FM layer also plays an important role on PEB at the FM/AFM interface and it is effective to control PEB of [CoO5nm/CoPt5nm]5 multilayer films by changing the magnetoelastically induced PMA of CoPt layer. [CoO5nm/CoPt5nm]5 multilayer films were deposited by magnetron sputtering on fused quartz substrate at room temperature, then annealed at 100°C, 250°C, 300°C and 375°C for 3h, respectively. XRD results reveal that all the samples are well crystallized with preferred fcc CoPt (111) orientation. The continuous multilayer structure with sharp component transition at the CoO5nm/CoPt5nm interface are identified clearly by transmission electron microscopy (TEM), x-ray reflectivity (XRR) and atomic force microscope (AFM). CoPt layer in-plane tensile stress is calculated by sin2φ method, and we find it increases gradually upon annealing from 0.99 GPa (as-deposited) up to 3.02 GPa (300oC-annealed). As to the magnetic property, significant enhancement of PMA is achieved in [CoO5nm/CoPt5nm]5 multilayer films after annealing due to the increase of CoPt layer in-plane tensile stress. With the enhancement of magnetoelastically induced PMA, great improvement of PEB is also achieved in [CoO5nm/CoPt5nm]5 multilayer films, which increases from 130 Oe (as-deposited) up to 1060 Oe (300oC-annealed), showing the same change tendency as PMA and the strong correlation with CoPt layer in-plane tensile stress. We consider it is the increase of CoPt layer in-plane tensile stress that leads to the enhancement of PMA, and thus the enhancement of magnetoelastically induced PMA results in the improvement of PEB in [CoO5nm/CoPt5nm]5 multilayer films.Keywords: perpendicular exchange bias, magnetoelastically induced perpendicular magnetic anisotropy, CoO5nm/CoPt5nm]5 multilayer film with in-plane stress, perpendicular magnetic tunneling junction
Procedia PDF Downloads 4621213 Clustering-Based Detection of Alzheimer's Disease Using Brain MR Images
Authors: Sofia Matoug, Amr Abdel-Dayem
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This paper presents a comprehensive survey of recent research studies to segment and classify brain MR (magnetic resonance) images in order to detect significant changes to brain ventricles. The paper also presents a general framework for detecting regions that atrophy, which can help neurologists in detecting and staging Alzheimer. Furthermore, a prototype was implemented to segment brain MR images in order to extract the region of interest (ROI) and then, a classifier was employed to differentiate between normal and abnormal brain tissues. Experimental results show that the proposed scheme can provide a reliable second opinion that neurologists can benefit from.Keywords: Alzheimer, brain images, classification techniques, Magnetic Resonance Images MRI
Procedia PDF Downloads 3021212 Optimization of Radiation Therapy with a Nanotechnology Based Enzymatic Therapy
Authors: R. D. Esposito, V. M. Barberá, P. García Morales, P. Dorado Rodríguez, J. Sanz, M. Fuentes, D. Planes Meseguer, M. Saceda, L. Fernández Fornos, M. P. Ventero
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Results obtained by our group on glioblastoma multiforme (GBM) primary cultures , show a dramatic potentiation of radiation effects when 2 units/ml of D-amino acid oxidase (DAO) enzyme are added, free or immobilized in magnetic nanoparticles, to irradiated samples just after the irradiation. Cell cultures were exposed to radiation doses of 7Gy and 15Gy of 6 MV photons from a clinical linear accelerator. At both doses, we observed a clear enhancing effect of radiation-induced damages due to the addition of DAO.Keywords: D-amino Acid Oxidase (DAO) enzyme, magnetic particles, nanotechnology, radiation therapy enhancement
Procedia PDF Downloads 5231211 First Principls Study of Structural, Electronic, Magnetic and Optical Properties of SiNi₂O₄ Spinel Oxide
Authors: Karkour Selma
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We conducted first principles full potential calculations using the Wien2k code to explore the structural, electronic, magnetic, and optical properties of SiNi₂O₄, a cubic normal spinel oxide. Our calculations, based on the GGA-PBEsol of the generalized gradient approximation, revealed several key findings. The spinel oxides exhibited a stable cubic structure in the ferromagnetic phase and showed 100% spin polarization. We determined the equilibrium lattice constant and internal parameter values. In terms of the electronic properties, we observed a direct bandgap of 2.68 eV for the spin-up configuration, while the spin-down configuration exhibited an indirect bandgap of 0.82 eV. Additionally, we calculated the total density of states and partial densities for each atom, finding a magnetic moment spin density of states of 8.0 μB per formula unit. The optical properties have been calculated. The real, Ԑ₁(ω) and the imaginary, Ԑ₂(ω) parts of the complex dielectric constants, refractivity, reflection and energy loss when light scattered from the material. The absorption region spanned from 1.5 eV to 14 eV, with significant intensity. The calculated results confirm the suitability of this material for optical and spintronic devices application.Keywords: DFT, spintronic, GGA, spinel
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