Search results for: Magnetic Resonance Spectroscopy
684 Automatic LV Segmentation with K-means Clustering and Graph Searching on Cardiac MRI
Authors: Hae-Yeoun Lee
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Quantification of cardiac function is performed by calculating blood volume and ejection fraction in routine clinical practice. However, these works have been performed by manual contouring, which requires computational costs and varies on the observer. In this paper, an automatic left ventricle segmentation algorithm on cardiac magnetic resonance images (MRI) is presented. Using knowledge on cardiac MRI, a K-mean clustering technique is applied to segment blood region on a coil-sensitivity corrected image. Then, a graph searching technique is used to correct segmentation errors from coil distortion and noises. Finally, blood volume and ejection fraction are calculated. Using cardiac MRI from 15 subjects, the presented algorithm is tested and compared with manual contouring by experts to show outstanding performance.
Keywords: Cardiac MRI, Graph searching, Left ventricle segmentation, K-means clustering.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2093683 STM Spectroscopy of Alloyed Nanocrystal Composite CdSxSe1-X
Authors: T. Abdallah, K. Easawi, A. Khalid, S. Negm, H. Talaat
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Nanocrystals (NC) alloyed composite CdSxSe1-x(x=0 to 1) have been prepared using the chemical solution deposition technique. The energy band gap of these alloyed nanocrystals of approximately the same size, have been determined by scanning tunneling spectroscopy (STS) technique at room temperature. The values of the energy band gap obtained directly using STS are compared to those measured by optical spectroscopy. Increasing the molar fraction ratio x from 0 to 1 causes clearly observed increase in the band gap of the alloyed composite nanocrystal. Vegard-s law was applied to calculate the parameters of the effective mass approximation (EMA) model and the dimension obtained were compared to the values measured by STM. The good agreement of the calculated and measured values is a direct result of applying Vegard's law in the nanocomposites.Keywords: Alloy semiconductor nanocrystals, STM.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1466682 Neuromarketing: Discovering the Somathyc Marker in the Consumer´s Brain
Authors: Mikel Alonso López, María Francisca Blasco López, Víctor Molero Ayala
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The present study explains the somatic marker theory of Antonio Damasio, which indicates that when making a decision, the stored or possible future scenarios (future memory) images allow people to feel for a moment what would happen when they make a choice, and how this is emotionally marked. This process can be conscious or unconscious. The development of new Neuromarketing techniques such as functional magnetic resonance imaging (fMRI), carries a greater understanding of how the brain functions and consumer behavior. In the results observed in different studies using fMRI, the evidence suggests that the somatic marker and future memories influence the decision-making process, adding a positive or negative emotional component to the options. This would mean that all decisions would involve a present emotional component, with a rational cost-benefit analysis that can be performed later.
Keywords: Emotions, decision making, somatic marker, consumer´s brain.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2134681 Study of Intergranular Corrosion in Austenitic Stainless Steels Using Electrochemical Impedance Spectroscopy
Authors: Satish Kolli, Adriana Ferancova, David Porter, Jukka Kömi
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Electrochemical impedance spectroscopy (EIS) has been used to detect sensitization in austenitic stainless steels that are heat treated in the temperature regime 600-820 °C to produce different degrees of sensitization in the material. The tests were conducted at five different DC potentials in the transpassive region. The quantitative determination of degree of sensitization has been done using double loop electrochemical potentiokinetic reactivation tests (DL-EPR). The correlation between EIS Nyquist diagrams and DL-EPR degree of sensitization values has been studied. The EIS technique can be used as a qualitative tool in determining the intergranular corrosion in austenitic stainless steels that are heat treated at a given temperature.
Keywords: Electrochemical impedance spectroscopy, intergranular corrosion, sensitization, stainless steel.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 869680 Polydopamine Nanoparticle as a Stable and Capacious Nano-Reservoir of Rifampicin
Authors: Tasnuva Tamanna, Aimin Yu
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Application of nanoscience in biomedical field has come across as a new era. This study involves the synthesis of nano drug carrier with antibiotic loading. Based on the founding that polydopamine (PDA) nanoparticles could be formed via self-polymerization of dopamine at alkaline pH, one-step synthesis of rifampicin coupled polydopamine (PDA-R) nanoparticles was achieved by adding rifampicin into the dopamine solution. The successful yield of PDA nanoparticles with or without the presence of rifampicin during the polymerization process was characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, and Raman spectroscopy. Drug loading was monitored by UV-vis spectroscopy and the loading efficiency of rifampicin was calculated to be 76%. Such highly capacious nano-reservoir was found very stable with little drug leakage at pH 3.
Keywords: Drug loading, nanoparticles, polydopamine, rifampicin.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2669679 Characterization of Lactose Consumption during the Biogas Production from Acid Whey by FT-IR Spectroscopy
Authors: K. Rugele, M. Gavare, M. Grube, K. Tihomirova, E. Skripsts, S. Larsson, J. Rubulis
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The consumption of lactose in acid cheese whey anaerobic fermentation process under fed-batch conditions was studied. During fermentation for 100 hours the biogas production (CO2 and CH4) was analyzed online. Among the standard analyses FT-IR spectroscopy was used to follow the consumption of lactose by bacteria. The absorption bands at 990, 894 and 787 cm-1 in the 2nd derivative spectra were shown to be characteristic for lactose and were used to follow the lactose conversion. It was shown that acid cheese whey lactose was converted by bacteria in first 7 hours. In the spectra of 17, 18 and 95 hour fermentation samples lactose was not identified and these results correlated with the HPLC data.Keywords: Acid whey, anaerobic digestion, biogas, FT-IR spectroscopy, lactose consumption.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2491678 Chattering-free Sliding Mode Control for an Active Magnetic Bearing System
Authors: Abdul Rashid Husain, Mohamad Noh Ahmad, Abdul Halim Mohd Yatim
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In this paper, a few chattering-free Sliding Mode Controllers (SMC) are proposed to stabilize an Active Magnetic Bearing (AMB) system with gyroscopic effect that is proportional to the rotor speed. The improved switching terms of the controller inherited from the saturation-type function and boundary layer control technique is shown to be able to achieve bounded and asymptotic stability, respectively, while the chattering effect in the input is attenuated. This is proven to be advantageous for AMB system since minimization of chattering results in optimized control effort. The performance of each controller is demonstrated via result of simulation in which the measurement of the total consumed energy and maximum control magnitude of each controller illustrates the effectiveness of the proposed controllers.
Keywords: Active Magnetic Bearing (AMB), Sliding Mode Control (SMC), chattering-free SMC.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2141677 Effect of Magnetic Field on Mixed Convection Boundary Layer Flow over an Exponentially Shrinking Vertical Sheet with Suction
Authors: S. S. P. M. Isa, N. M. Arifin, R. Nazar, N. Bachok, F. M. Ali, I. Pop
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A theoretical study has been presented to describe the boundary layer flow and heat transfer on an exponentially shrinking sheet with a variable wall temperature and suction, in the presence of magnetic field. The governing nonlinear partial differential equations are converted into ordinary differential equations by similarity transformation, which are then solved numerically using the shooting method. Results for the skin friction coefficient, local Nusselt number, velocity profiles as well as temperature profiles are presented through graphs and tables for several sets of values of the parameters. The effects of the governing parameters on the flow and heat transfer characteristics are thoroughly examined.
Keywords: Exponentially shrinking sheet, magnetic field, mixed convection, suction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2475676 Design of Permanent Magnet Machines with Different Rotor Type
Authors: Tayfun Gundogdu, Guven Komurgoz
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This paper presents design, analysis and comparison of the different rotor type permanent magnet machines. The presented machines are designed as having same geometrical dimensions and same materials for comparison. The main machine parameters of interior and exterior rotor type machines including eddy current effect, torque-speed characteristics and magnetic analysis are investigated using MAXWELL program. With this program, the components of the permanent magnet machines can be calculated with high accuracy. Six types of Permanent machines are compared with respect to their topology, size, magnetic field, air gap flux, voltage, torque, loss and efficiency. The analysis results demonstrate the effectiveness of the proposed machines design methodology. We believe that, this study will be a helpful resource in terms of examination and comparison of the basic structure and magnetic features of the PM (Permanent magnet) machines which have different rotor structure.
Keywords: Motor design, Permanent Magnet, Finite-Elementmethod.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 6097675 Evaluating the Feasibility of Magnetic Induction to Cross an Air-Water Boundary
Authors: Mark Watson, J.-F. Bousquet, Adam Forget
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A magnetic induction based underwater communication link is evaluated using an analytical model and a custom Finite-Difference Time-Domain (FDTD) simulation tool. The analytical model is based on the Sommerfeld integral, and a full-wave simulation tool evaluates Maxwell’s equations using the FDTD method in cylindrical coordinates. The analytical model and FDTD simulation tool are then compared and used to predict the system performance for various transmitter depths and optimum frequencies of operation. To this end, the system bandwidth, signal to noise ratio, and the magnitude of the induced voltage are used to estimate the expected channel capacity. The models show that in seawater, a relatively low-power and small coils may be capable of obtaining a throughput of 40 to 300 kbps, for the case where a transmitter is at depths of 1 to 3 m and a receiver is at a height of 1 m.Keywords: Magnetic Induction, FDTD, Underwater Communication, Sommerfeld.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 567674 A Simple Chemical Precipitation Method of Titanium Dioxide Nanoparticles Using Polyvinyl Pyrrolidone as a Capping Agent and Their Characterization
Authors: V. P. Muhamed Shajudheen, K. Viswanathan, K. Anitha Rani, A. Uma Maheswari, S. Saravana Kumar
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In this paper, a simple chemical precipitation route for the preparation of titanium dioxide nanoparticles, synthesized by using titanium tetra isopropoxide as a precursor and polyvinyl pyrrolidone (PVP) as a capping agent, is reported. The Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA) of the samples were recorded and the phase transformation temperature of titanium hydroxide, Ti(OH)4 to titanium oxide, TiO2 was investigated. The as-prepared Ti(OH)4 precipitate was annealed at 800°C to obtain TiO2 nanoparticles. The thermal, structural, morphological and textural characterizations of the TiO2 nanoparticle samples were carried out by different techniques such as DSC-TGA, X-Ray Diffraction (XRD), Fourier Transform Infra-Red spectroscopy (FTIR), Micro Raman spectroscopy, UV-Visible absorption spectroscopy (UV-Vis), Photoluminescence spectroscopy (PL) and Field Effect Scanning Electron Microscopy (FESEM) techniques. The as-prepared precipitate was characterized using DSC-TGA and confirmed the mass loss of around 30%. XRD results exhibited no diffraction peaks attributable to anatase phase, for the reaction products, after the solvent removal. The results indicate that the product is purely rutile. The vibrational frequencies of two main absorption bands of prepared samples are discussed from the results of the FTIR analysis. The formation of nanosphere of diameter of the order of 10 nm, has been confirmed by FESEM. The optical band gap was found by using UV-Visible spectrum. From photoluminescence spectra, a strong emission was observed. The obtained results suggest that this method provides a simple, efficient and versatile technique for preparing TiO2 nanoparticles and it has the potential to be applied to other systems for photocatalytic activity.
Keywords: TiO2 nanoparticles, chemical precipitation route, phase transition, Fourier Transform Infra-Red spectroscopy, micro Raman spectroscopy, UV-Visible absorption spectroscopy, Photoluminescence spectroscopy, Field Effect Scanning Electron Microscopy.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4274673 Paper-Based Colorimetric Sensor Utilizing Peroxidase-Mimicking Magnetic Nanoparticles Conjugated with Aptamers
Authors: Min-Ah Woo, Min-Cheol Lim, Hyun-Joo Chang, Sung-Wook Choi
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We developed a paper-based colorimetric sensor utilizing magnetic nanoparticles conjugated with aptamers (MNP-Apts) against E. coli O157:H7. The MNP-Apts were applied to a test sample solution containing the target cells, and the solution was simply dropped onto PVDF (polyvinylidene difluoride) membrane. The membrane moves the sample radially to form the sample spots of different compounds as concentric rings, thus the MNP-Apts on the membrane enabled specific recognition of the target cells through a color ring generation by MNP-promoted colorimetric reaction of TMB (3,3',5,5'-tetramethylbenzidine) and H2O2. This method could be applied to rapidly and visually detect various bacterial pathogens in less than 1 h without cell culturing.
Keywords: Aptamer, colorimetric sensor, E. coli O157:H7, magnetic nanoparticle, polyvinylidene difluoride.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1344672 The Effects of Peristalsis on Dispersion of a Micropolar Fluid in the Presence of Magnetic Field
Authors: Habtu Alemayehu, G. Radhakrishnamacharya
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The paper presents an analytical solution for dispersion of a solute in the peristaltic motion of a micropolar fluid in the presence of magnetic field and both homogeneous and heterogeneous chemical reactions. The average effective dispersion coefficient has been found using Taylor-s limiting condition under long wavelength approximation. The effects of various relevant parameters on the average coefficient of dispersion have been studied. The average effective dispersion coefficient increases with amplitude ratio, cross viscosity coefficient and heterogeneous chemical reaction rate parameter. But it decreases with magnetic field parameter and homogeneous chemical reaction rate parameter. It can be noted that the presence of peristalsis enhances dispersion of a solute.Keywords: Peristalsis, Dispersion, Chemical reaction, Magneticfield, Micropolar fluid
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1717671 In situ Observation of the State and Stability of Hemoglobin Adsorbed onto Glass Surface by Slab Optical Waveguide (SOWG) Spectroscopy
Authors: Masayoshi Matsui, Akiko Nakahara, Akiko Takatsu, Kenji Kato, Naoki Matsuda
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The state and stability of hemoglobin adsorbed on the glass surface was investigated using slab optical waveguide (SOWG) spectroscopy. The peak position of the absorption band of hemoglobin adsorbed on the glass surface was same as that of the hemoglobin in solution. This result suggests that no significant denaturation occurred by adsorption. The adsorption of hemoglobin is relatively strong that the hemoglobin molecules even remained adsorbed after rinsing the cell with buffer solution. The peak shift caused by the reduction of adsorbed hemoglobin was also observed.Keywords: hemoglobin, reduction, slab optical waveguide spectroscopy, solid/liquid interface.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1617670 Magnetohydrodynamic Free Convection in a Square Cavity Heated from Below and Cooled from Other Walls
Authors: S. Jani, M. Mahmoodi, M. Amini
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Magnetohydrodynamic free convection fluid flow and heat transfer in a square cavity filled with an electric conductive fluid with Prandtl number of 0.7 has been investigated numerically. The horizontal bottom wall of the cavity was kept at Th while the side and the top walls of the cavity were maintained at a constant temperature Tc with Th>Tc. The governing equations written in terms of the primitive variables were solved numerically using the finite volume method while the SIMPLER algorithm was used to couple the velocity and pressure fields. Using the developed code, a parametric study was performed, and the effects of the Rayleigh number and the Hartman number on the fluid flow and heat transfer inside the cavity were investigated. The obtained results showed that temperature distribution and flow pattern inside the cavity depended on both strength of the magnetic field and Rayleigh number. For all cases two counter rotating eddies were formed inside the cavity. The magnetic field decreased the intensity of free convection and flow velocity. Also it was found that for higher Rayleigh numbers a relatively stronger magnetic field was needed to decrease the heat transfer through free convection.
Keywords: Free Convection, Magnetic Field, Square Cavity, Numerical Simulation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2309669 Spectral Investigation for Boundary Layer Flow over a Permeable Wall in the Presence of Transverse Magnetic Field
Authors: Saeed Sarabadan, Mehran Nikarya, Kouroah Parand
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The magnetohydrodynamic (MHD) Falkner-Skan equations appear in study of laminar boundary layers flow over a wedge in presence of a transverse magnetic field. The partial differential equations of boundary layer problems in presence of a transverse magnetic field are reduced to MHD Falkner-Skan equation by similarity solution methods. This is a nonlinear ordinary differential equation. In this paper, we solve this equation via spectral collocation method based on Bessel functions of the first kind. In this approach, we reduce the solution of the nonlinear MHD Falkner-Skan equation to a solution of a nonlinear algebraic equations system. Then, the resulting system is solved by Newton method. We discuss obtained solution by studying the behavior of boundary layer flow in terms of skin friction, velocity, various amounts of magnetic field and angle of wedge. Finally, the results are compared with other methods mentioned in literature. We can conclude that the presented method has better accuracy than others.Keywords: MHD Falkner-Skan, nonlinear ODE, spectral collocation method, Bessel functions, skin friction, velocity.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1169668 Analysis of Electromagnetic Field Effects Using FEM for Transmission Lines Transposition
Authors: S. Tupsie, A. Isaramongkolrak, P. Pao-la-or
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This paper presents the mathematical model of electric field and magnetic field in transmission system, which performs in second-order partial differential equation. This research has conducted analyzing the electromagnetic field radiating to atmosphere around the transmission line, when there is the transmission line transposition in case of long distance distribution. The six types of 500 kV transposed HV transmission line with double circuit will be considered. The computer simulation is applied finite element method that is developed by MATLAB program. The problem is considered to two dimensions, which is time harmonic system with the graphical performance of electric field and magnetic field. The impact from simulation of six types long distance distributing transposition will not effect changing of electric field and magnetic field which surround the transmission line.
Keywords: Transposition, Electromagnetic Field, Finite Element Method (FEM), Transmission Line, Computer Simulation
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4031667 Mercury Removing Capacity of Multiwall Carbon Nanotubes as Detected by Cold Vapor Atomic Absorption Spectroscopy: Kinetic & Equilibrium Studies
Authors: Yasser M. Moustafa, Rania E. Morsi, Mohammed Fathy
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Multiwall carbon nanotubes, prepared by chemical vapor deposition, have an average diameter of 60-100 nm as shown by High Resolution Transmittance Electron Microscope, HR-TEM. The Multiwall carbon nanotubes (MWCNTs) were further characterized using X-ray Diffraction and Raman Spectroscopy. Mercury uptake capacity of MWCNTs was studied using batch adsorption method at different concentration ranges up to 150 ppm. Mercury concentration (before and after the treatment) was measured using cold vapor atomic absorption spectroscopy. The effect of time, concentration, pH and adsorbent dose were studied. MWCNT were found to perform complete absorption in the sub-ppm concentrations (parts per billion levels) while for high concentrations, the adsorption efficiency was 92% at the optimum conditions; 0.1 g of the adsorbent at 150 ppm mercury (II) solution. The adsorption of mercury on MWCNTs was found to follow the Freundlich adsorption isotherm and the pseudo-second order kinetic model.
Keywords: Cold Vapor Atomic Absorption Spectroscopy, Hydride System, Mercury Removing, Multi Wall Carbon Nanotubes.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2417666 Synthesis and Characterization of Gallosilicate Sodalite Containing NO2- Ions
Authors: Ashok V. Borhade, Sanjay G. Wakchaure
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Pure phase gallosilicate nitrite sodalite has been synthesized in a single step by low temperature (373 oK) hydrothermal technique. The product obtained was characterized using a combination of techniques including X-ray powder diffraction, IR, Raman spectroscopy, SEM, MAS NMR spectroscopy as well as thermogravimetry. Sodalite with an ideal composition was obtained after synthesis at 3730K and seven days duration using alkaline medium. The structural features of the Na8[GaSiO4]6(NO2)2 sodalite were investigated by IR, MAS NMR spectroscopy of 29Si and 23Na nuclei and by Reitveld refinement of X-ray powder diffraction data. The crystal structure of this sodalite has been refined in the space group P 4 3n; with a cell parameter 8.98386Å, V= 726.9 Å, (Rwp= 0.077 and Rp=0.0537) and Si-O-Ga angle is found to be 132.920 . MAS NMR study confirms complete ordering of Si and Ga in the gallosilicate framework. The surface area of single entity with stoichiometry Na8[GaSiO4]6(NO2)2 was found to be 8.083 x10-15 cm2/g.
Keywords: Gallosilicate, hydrothermal, nitrite, Reitveldrefinement.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1620665 Discrimination of Modes of Double- and Single-Negative Grounded Slab
Authors: R. Borghol, T. Aguili
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In this paper, we investigate theoretically the waves propagation in a lossless double-negative grounded slab (DNG). This study is performed by the Transverse Resonance Method (TRM). The proper or improper nature of real and complex modes is observed. They are highly dependent on metamaterial parameters, i.e. ɛr-negative, µr-negative, or both. Numerical results provided that only the proper complex modes (i.e., leaky modes) exist in DNG slab, and only the improper complex modes exist in single-negative grounded slab.
Keywords: Double-negative grounded slab, real and complex modes, single-negative grounded slab, transverse resonance method.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 960664 Fabrication of Tissue Engineering Scaffolds Using Rapid Prototyping Techniques
Authors: Osama A. Abdelaal, Saied M. Darwish
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Rapid prototyping (RP) techniques are a group of advanced manufacturing processes that can produce custom made objects directly from computer data such as Computer Aided Design (CAD), Computed Tomography (CT) and Magnetic Resonance Imaging (MRI) data. Using RP fabrication techniques, constructs with controllable and complex internal architecture with appropriate mechanical properties can be achieved. One of the attractive and promising utilization of RP techniques is related to tissue engineering (TE) scaffold fabrication. Tissue engineering scaffold is a 3D construction that acts as a template for tissue regeneration. Although several conventional techniques such as solvent casting and gas forming are utilized in scaffold fabrication; these processes show poor interconnectivity and uncontrollable porosity of the produced scaffolds. So, RP techniques become the best alternative fabrication methods of TE scaffolds. This paper reviews the current state of the art in the area of tissue engineering scaffolds fabrication using advanced RP processes, as well as the current limitations and future trends in scaffold fabrication RP techniques.Keywords: Biomanufacturing, Rapid prototyping, Solid FreeForm Fabrication, Scaffold Fabrication, Tissue Engineering
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5285663 Ab initio Study of Co2ZrGe and Co2NbB Full Heusler Compounds
Authors: Abada Ahmed, Hiadsi Said, Ouahrani Tarik, Amrani Bouhalouane, Amara Kadda
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Using the first-principles full-potential linearized augmented plane wave plus local orbital (FP-LAPW+lo) method based on density functional theory (DFT), we have investigated the electronic structure and magnetism of full Heusler alloys Co2ZrGe and Co2NbB. These compounds are predicted to be half-metallic ferromagnets (HMFs) with a total magnetic moment of 2.000 B per formula unit, well consistent with the Slater-Pauling rule. Calculations show that both the alloys have an indirect band gaps, in the minority-spin channel of density of states (DOS), with values of 0.58 eV and 0.47 eV for Co2ZrGe and Co2NbB, respectively. Analysis of the DOS and magnetic moments indicates that their magnetism is mainly related to the d-d hybridization between the Co and Zr (or Nb) atoms. The half-metallicity is found to be relatively robust against volume changes. In addition, an atom inside molecule AIM formalism and an electron localization function ELF were also adopted to study the bonding properties of these compounds, building a bridge between their electronic and bonding behavior. As they have a good crystallographic compatibility with the lattice of semiconductors used industrially and negative calculated cohesive energies with considerable absolute values these two alloys could be promising magnetic materials in the spintronic field.
Keywords: Electronic properties, full Heusler alloys, halfmetallic ferromagnets, magnetic properties.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2505662 Electron Density Discrepancy Analysis of Energy Metabolism Coenzymes
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.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 253661 Self-Supervised Pretraining on Paired Sequences of fMRI Data for Transfer Learning to Brain Decoding Tasks
Authors: Sean Paulsen, Michael Casey
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In this work, we present a self-supervised pretraining framework for transformers on functional Magnetic Resonance Imaging (fMRI) data. First, we pretrain our architecture on two self-supervised tasks simultaneously to teach the model a general understanding of the temporal and spatial dynamics of human auditory cortex during music listening. Our pretraining results are the first to suggest a synergistic effect of multitask training on fMRI data. Second, we finetune the pretrained models and train additional fresh models on a supervised fMRI classification task. We observe significantly improved accuracy on held-out runs with the finetuned models, which demonstrates the ability of our pretraining tasks to facilitate transfer learning. This work contributes to the growing body of literature on transformer architectures for pretraining and transfer learning with fMRI data, and serves as a proof of concept for our pretraining tasks and multitask pretraining on fMRI data.
Keywords: Transfer learning, fMRI, self-supervised, brain decoding, transformer, multitask training.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 150660 Synthesis of PVA/γ-Fe2O3 Used in Cancer Treatment by Hyperthermia
Authors: Sajjad Seifi Mofarah, S. K. Sadrnezhaad, Shokooh Moghadam, Javad Tavakoli
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In recent years a new method of combination treatment for cancer has been developed and studied that has led to significant advancements in the field of cancer therapy. Hyperthermia is a traditional therapy that, along with a creation of a medically approved level of heat with the help of an alternating magnetic AC current, results in the destruction of cancer cells by heat. This paper gives details regarding the production of the spherical nanocomposite PVA/γ-Fe2O3 in order to be used for medical purposes such as tumor treatment by hyperthermia. To reach a suitable and evenly distributed temperature, the nanocomposite with core-shell morphology and spherical form within a 100 to 200 nanometer size was created using phase separation emulsion, in which the magnetic nano-particles γ- Fe2O3 with an average particle size of 20 nano-meters and with different percentages of 0.2, 0.4, 0.5 and 0.6 were covered by polyvinyl alcohol. The main concern in hyperthermia and heat treatment is achieving desirable specific absorption rate (SAR) and one of the most critical factors in SAR is particle size. In this project all attempts has been done to reach minimal size and consequently maximum SAR. The morphological analysis of the spherical structure of the nanocomposite PVA/γ-Fe2O3 was achieved by SEM analyses and the study of the chemical bonds created was made possible by FTIR analysis. To investigate the manner of magnetic nanocomposite particle size distribution a DLS experiment was conducted. Moreover, to determine the magnetic behavior of the γ- Fe2O3 particle and the nanocomposite PVA/γ-Fe2O3 in different concentrations a VSM test was conducted. To sum up, creating magnetic nanocomposites with a spherical morphology that would be employed for drug loading opens doors to new approaches in developing nanocomposites that provide efficient heat and a controlled release of drug simultaneously inside the magnetic field, which are among their positive characteristics that could significantly improve the recovery process in patients.
Keywords: Nanocomposite, hyperthermia, cancer therapy, drug release.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4744659 Transformations of Spatial Distributions of Bio-Polymers and Nanoparticles in Water Suspensions Induced by Resonance-Like Low Frequency Electrical Fields
Authors: A. A. Vasin, N. V. Klassen, A. M. Likhter
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Water suspensions of in-organic (metals and oxides) and organic nano-objects (chitozan and collagen) were subjected to the treatment of direct and alternative electrical fields. In addition to quasi-periodical spatial patterning resonance-like performance of spatial distributions of these suspensions has been found at low frequencies of alternating electrical field. These resonances are explained as the result of creation of equilibrium states of groups of charged nano-objects with opposite signs of charges at the interparticle distances where the forces of Coulomb attraction are compensated by the repulsion forces induced by relatively negative polarization of hydrated regions surrounding the nanoparticles with respect to pure water. The low frequencies of these resonances are explained by comparatively big distances between the particles and their big masses with t\respect to masses of atoms constituting molecules with high resonance frequencies. These new resonances open a new approach to detailed modeling and understanding of mechanisms of the influence of electrical fields on the functioning of internal organs of living organisms at the level of cells and neurons.Keywords: Bio-polymers, chitosan, collagen, nanoparticles, coulomb attraction, polarization repulsion, periodical patterning, electrical low frequency resonances, transformations.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1121658 Treatment of Spin-1/2 Particle in Interaction with a Time-Dependent Magnetic Field by the Fermionic Coherent-State Path-Integral Formalism
Authors: Aouachria Mekki
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We consider a spin-1/2 particle interacting with a time-dependent magnetic field using path integral formalism. The propagator is first of all written in the standard form replacing the spin by two fermionic oscillators via the Schwinger model. The propagator is then exactly determined, thanks to a simple transformation, and the transition probability is deduced.
Keywords: Path integral, formalism, Propagator.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2462657 Design of Wireless and Traceable Sensors for Internally Illuminated Photoreactors
Authors: Alexander Sutor, David Demetz
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We present methods for developing wireless and traceable sensors for photobioreactors or photoreactors in general. The main focus of application are reactors which are wirelessly powered. Due to the promising properties of the propagation of magnetic fields under water we implemented an inductive link with an on/off switched hartley-oscillator as transmitter and an LC-tank as receiver. For this inductive link we used a carrier frequency of 298 kHz. With this system we performed measurements to demonstrate the independence of the magnetic field from water or salty water. In contrast we showed the strongly reduced range of RF-transmitter-receiver systems at higher frequencies (433 MHz and 2.4 GHz) in water and in salty water. For implementing the traceability of the sensors, we performed measurements to show the well defined orientation of the magnetic field of a coil. This information will be used in future work for implementing an inductive link based traceability system for our sensors.Keywords: Wireless sensors, traceable sensors, photoreactor, internal illumination, wireless power.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 792656 Reflectance Imaging Spectroscopy Data (Hyperspectral) for Mineral Mapping in the Orientale Basin Region on the Moon Surface
Authors: V. Sivakumar, R. Neelakantan
Abstract:
Mineral mapping on the Moon surface provides the clue to understand the origin, evolution, stratigraphy and geological history of the Moon. Recently, reflectance imaging spectroscopy plays a significant role in identifying minerals on the planetary surface in the Visible to NIR region of the electromagnetic spectrum. The Moon Mineralogy Mapper (M3) onboard Chandrayaan-1 provides unprecedented spectral data of lunar surface to study about the Moon surface. Here we used the M3 sensor data (hyperspectral imaging spectroscopy) for analysing mineralogy of Orientale basin region on the Moon surface. Reflectance spectrums were sampled from different locations of the basin and continuum was removed using ENvironment for Visualizing Images (ENVI) software. Reflectance spectra of unknown mineral composition were compared with known Reflectance Experiment Laboratory (RELAB) spectra for discriminating mineralogy. Minerals like olivine, Low-Ca Pyroxene (LCP), High-Ca Pyroxene (HCP) and plagioclase were identified. In addition to these minerals, an unusual type of spectral signature was identified, which indicates the probable Fe-Mg-spinel lithology in the basin region.Keywords: Chandrayaan-1, moon mineralogy mapper, orientale basin, moon, spectroscopy, hyperspectral.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2853655 Synthesis, Investigation, DFT Study and Biological Activity of Zirconium (IV) Complexes
Authors: Salem El-t. Ashoor, Ibtisam M. Ediab
Abstract:
Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC3H3(C6H2)NC3H3} (L1) or 4-4-amino phenazone {ONC6H5(NH)CH(NH2} (L2) or diphenyl carbizon {HNNCO(NH)2(C6H5)} (L3) with a Zirconium Salt {ZrOCl2} in a 1:1 ratio to form complexes [{NC3H3(C6H2)NC3H3}ZrOCl2}] [ZrOCl2L1], [{(O2NC6H4(NH)(NH2)}ZrOCl2] [ZrOCl2L2] and [{HNNCO(NH)2(C6H5)ZrOCl2}] [ZrOCl2L3] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy.
These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.
Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1860