Search results for: relativistic runaway electron avalanches
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2605

Search results for: relativistic runaway electron avalanches

1135 Investigation of Efficient Production of ¹³⁵La for the Auger Therapy Using Medical Cyclotron in Poland

Authors: N. Zandi, M. Sitarz, J. Jastrzebski, M. Vagheian, J. Choinski, A. Stolarz, A. Trzcinska

Abstract:

¹³⁵La with the half-life of 19.5 h can be considered as a good candidate for Auger therapy. ¹³⁵La decays almost 100% by electron capture to the stable ¹³⁵Ba. In this study, all important possible reactions leading to ¹³⁵La production are investigated in details, and the corresponding theoretical yield for each reaction using the Monte-Carlo method (MCNPX code) are presented. Among them, the best reaction based on the cost-effectiveness and production yield regarding Poland facilities equipped with medical cyclotron has been selected. ¹³⁵La is produced using 16.5 MeV proton beam of general electric PET trace cyclotron through the ¹³⁵Ba(p,n)¹³⁵La reaction. Moreover, for a consistent facilitating comparison between the theoretical calculations and the experimental measurements, the beam current and also the proton beam energy is measured experimentally. Then, the obtained proton energy is considered as the entrance energy for the theoretical calculations. The production yield finally is measured and compared with the results obtained using the MCNPX code. The results show the experimental measurement and the theoretical calculations are in good agreement.

Keywords: efficient ¹³⁵La production, proton cyclotron energy measurement, MCNPX code, theoretical and experimental production yield

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1134 Micropillar-Assisted Electric Field Enhancement for High-Efficiency Inactivation of Bacteria

Authors: Sanam Pudasaini, A. T. K. Perera, Ahmed Syed Shaheer Uddin, Sum Huan Ng, Chun Yang

Abstract:

Development of high-efficiency and environment friendly bacterial inactivation methods is of great importance for preventing waterborne diseases which are one of the leading causes of death in the world. Traditional bacterial inactivation methods (e.g., ultraviolet radiation and chlorination) have several limitations such as longer treatment time, formation of toxic byproducts, bacterial regrowth, etc. Recently, an electroporation-based inactivation method was introduced as a substitute. Here, an electroporation-based continuous flow microfluidic device equipped with an array of micropillars is developed, and the device achieved high bacterial inactivation performance ( > 99.9%) within a short exposure time ( < 1 s). More than 99.9% reduction of Escherichia coli bacteria was obtained for the flow rate of 1 mL/hr, and no regrowth of bacteria was observed. Images from scanning electron microscope confirmed the formation of electroporation-induced nano-pore within the cell membrane. Through numerical simulation, it has been shown that sufficiently large electric field strength (3 kV/cm), required for bacterial electroporation, were generated using PDMS micropillars for an applied voltage of 300 V. Further, in this method of inactivation, there is no involvement of chemicals and the formation of harmful by-products is also minimum.

Keywords: electroporation, high-efficiency, inactivation, microfluidics, micropillar

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1133 Mixed Number Algebra and Its Application

Authors: Md. Shah Alam

Abstract:

Mushfiq Ahmad has defined a Mixed Number, which is the sum of a scalar and a Cartesian vector. He has also defined the elementary group operations of Mixed numbers i.e. the norm of Mixed numbers, the product of two Mixed numbers, the identity element and the inverse. It has been observed that Mixed Number is consistent with Pauli matrix algebra and a handy tool to work with Dirac electron theory. Its use as a mathematical method in Physics has been studied. (1) We have applied Mixed number in Quantum Mechanics: Mixed Number version of Displacement operator, Vector differential operator, and Angular momentum operator has been developed. Mixed Number method has also been applied to Klein-Gordon equation. (2) We have applied Mixed number in Electrodynamics: Mixed Number version of Maxwell’s equation, the Electric and Magnetic field quantities and Lorentz Force has been found. (3) An associative transformation of Mixed Number numbers fulfilling Lorentz invariance requirement is developed. (4) We have applied Mixed number algebra as an extension of Complex number. Mixed numbers and the Quaternions have isomorphic correspondence, but they are different in algebraic details. The multiplication of unit Mixed number and the multiplication of unit Quaternions are different. Since Mixed Number has properties similar to those of Pauli matrix algebra, Mixed Number algebra is a more convenient tool to deal with Dirac equation.

Keywords: mixed number, special relativity, quantum mechanics, electrodynamics, pauli matrix

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1132 Chemical Composition, Petrology and P-T Conditions of Ti-Mg-Biotites within Syenitic Rocks from the Lar Igneous Suite, East of Iran

Authors: Sasan Ghafaribijar, Javad Hakimi, Mohsen Arvin, Peyman Tahernezhad

Abstract:

The Lar Igneous Suite (LIS), east of Iran, is part of post collisional alkaline magmatism related to Late Cretaceous- mid Eocene Sistan suture zone. The suite consists of a wide variety of igneous rocks, from volcanic to intrusive and hypabissal rocks such as tuffs, trachyte, monzonite, syenites and lamprophyres. Syenitic rocks which mainly occur in a giant ring dike and stocks, are shoshonitic to potassic-ultrapotassic (K2O/Na2O > 2 wt.%; MgO > 3 wt.%; K2O > 3 wt.%) in composition and are also associated with Cu-Mo mineralization. In this study, chemical composition of biotites within the Lar syenites (LS) is determined by electron microprobe analysis. The results show that LS biotites are Ti-Mg-biotites (phlogopite) which contain relatively high Ti and Mg, and low Fe concentrations. The Mg/(Fe2++ Mg) ratio in these biotites range between 0.56 and 0.73 that represent their transitionally chemical evolution. TiO2 content in these biotites is high and in the range of 3.0-5.4 wt.%. These chemical characteristics indicate that the LS biotites are primary and have been crystallized directly from magma. The investigations also demonstrate that the LS biotites have crystallized from a magma of orogenic nature. Temperature and pressure are the most significant factors controlling Mg and Ti content in the LS biotites, respectively. The results show that the LS biotites crystallized at temperatures (T) between 800 to 842 °C and pressures (P) between 0.99 to 1.44 kbar. These conditions are indicative of a crystallization depth of 3.26-4.74 km.

Keywords: sistan suture zone, Lar Igneous Suite, zahedan, syenite, biotite

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1131 PBI Based Composite Membrane for High Temperature Polymer Electrolyte Membrane Fuel Cells

Authors: Kwangwon Seo, Haksoo Han

Abstract:

Al-Si was synthesized and introduced in poly 2,2’-m-(phenylene)-5,5’-bibenzimidazole (PBI). As a result, a series of five Al-Si/PBI composite (ASPBI) membranes (0, 3, 6, 9, and 12 wt.%) were developed and characterized for application in high temperature polymer electrolyte membrane fuel cells (HT-PEMFCs). The chemical and morphological structure of ASPBI membranes were analyzed by Fourier transform infrared spectroscopy, X-ray diffractometer and scanning electron microscopy. According to the doping level test and thermogravimetric analysis, as the concentration of Al-Si increased, the doping level increased up to 475%. Moreover, the proton conductivity, current density at 0.6V, and maximum power density of ASPBI membranes increased up to 0.31 Scm-1, 0.320 Acm-2, and 0.370 Wcm-2, respectively, because the increased concentration of Al-Si allows the membranes to hold more PA. Alternatively, as the amount of Al-Si increased, the tensile strength of PA-doped and -undoped membranes decreased. This was resulted by both excess PA and aggregation, which can cause serious degradation of the membrane and induce cracks. Moreover, the PA-doped and -undoped ASPBI12 had the lowest tensile strength. The improved performances of ASPBI membranes imply that ASPBI membranes are possible candidates for HT-PEMFC applications. However, further studies searching to improve the compatibility between PBI matrix and inorganic and optimize the loading of Al-Si should be performed.

Keywords: composite membrane, high temperature polymer electrolyte membrane fuel cell, membrane electrode assembly, polybenzimidazole, polymer electrolyte membrane, proton conductivity

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1130 The Hall Coefficient and Magnetoresistance in Rectangular Quantum Wires with Infinitely High Potential under the Influence of a Laser Radiation

Authors: Nguyen Thu Huong, Nguyen Quang Bau

Abstract:

The Hall Coefficient (HC) and the Magnetoresistance (MR) have been studied in two-dimensional systems. The HC and the MR in Rectangular Quantum Wire (RQW) subjected to a crossed DC electric field and magnetic field in the presence of a Strong Electromagnetic Wave (EMW) characterized by electric field are studied in this work. Using the quantum kinetic equation for electrons interacting with optical phonons, we obtain the analytic expressions for the HC and the MR with a dependence on magnetic field, EMW frequency, temperatures of systems and the length characteristic parameters of RQW. These expressions are different from those obtained for bulk semiconductors and cylindrical quantum wires. The analytical results are applied to GaAs/GaAs/Al. For this material, MR depends on the ratio of the EMW frequency to the cyclotron frequency. Indeed, MR reaches a minimum at the ratio 5/4, and when this ratio increases, it tends towards a saturation value. The HC can take negative or positive values. Each curve has one maximum and one minimum. When magnetic field increases, the HC is negative, achieves a minimum value and then increases suddenly to a maximum with a positive value. This phenomenon differs from the one observed in cylindrical quantum wire, which does not have maximum and minimum values.

Keywords: hall coefficient, rectangular quantum wires, electron-optical phonon interaction, quantum kinetic equation

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1129 Process Optimization of Electrospun Fish Sarcoplasmic Protein Based Nanofibers

Authors: Sena Su, Burak Ozbek, Yesim M. Sahin, Sevil Yucel, Dilek Kazan, Faik N. Oktar, Nazmi Ekren, Oguzhan Gunduz

Abstract:

In recent years, protein, lipid or polysaccharide-based polymers have been used in order to develop biodegradable materials and their chemical nature determines the physical properties of the resulting films. Among these polymers, proteins from different sources have been extensively employed because of their relative abundance, film forming ability, and nutritional qualities. In this study, the biodegradable composite nanofiber films based on fish sarcoplasmic protein (FSP) were prepared via electrospinning technique. Biodegradable polycaprolactone (PCL) was blended with the FSP to obtain hybrid FSP/PCL nanofiber mats with desirable physical properties. Mixture solutions of FSP and PCL were produced at different concentrations and their density, viscosity, electrical conductivity and surface tension were measured. Mechanical properties of electrospun nanofibers were evaluated. Morphology of composite nanofibers was observed using scanning electron microscopy (SEM). Moreover, Fourier transform infrared spectrometer (FTIR) studies were used for analysis chemical composition of composite nanofibers. This study revealed that the FSP based nanofibers have the potential to be used for different applications such as biodegradable packaging, drug delivery, and wound dressing, etc.

Keywords: edible film, electrospinning, fish sarcoplasmic protein, nanofiber

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1128 Research of the Rotation Magnetic Field Current Driven Effect on Pulsed Plasmoid Acceleration of Electric Propulsion

Authors: X. F. Sun, X. D. Wen, L. J. Liu, C. C. Wu, Y. H. Jia

Abstract:

The field reversed closed magnetic field configuration plasmoid has a potential for large thrust and high power propulsion missions such as deep space exploration due to its high plasma density and larger azimuthal current, which will be a most competitive program for the next generation electric propulsion technology. Moreover, without the electrodes, it also has a long lifetime. Thus, the research on this electric propulsion technology is quite necessary. The plasmoid will be formatted and accelerated by applying a rotation magnetic field (RMF) method. And, the essence of this technology lies on the generation of the azimuthal electron currents driven by RMF. Therefore, the effect of RMF current on the plasmoid acceleration efficiency is a concerned problem. In the paper, the influences of the penetration process of RMF in plasma, the relations of frequency and amplitude of input RF power with current strength and the RMF antenna configuration on the plasmoid acceleration efficiency will be given by a two-fluid numerical simulation method. The results show that the radio-frequency and input power have remarkable influence on the formation and acceleration of plasmoid. These results will provide useful advice for the development, and optimized designing of field reversed configuration plasmoid thruster.

Keywords: rotation magnetic field, current driven, plasma penetration, electric propulsion

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1127 Development of β-Ti Alloy Powders for Additive Manufacturing for Application in Patient-Specific Orthopedic Implants

Authors: Eugene Ivanov, Eduardo del-Rio, Igor Kapchenko, Maija Nystrӧm, Juha Kotila

Abstract:

Series of low modulus beta Ti alloy billets and powders can be produced in commercial quantities using a combination of electron beam melting (EBM) and EIGA atomization processes. In the present study, TNZT alloy powder was produced and processed in the EOSINT M290 laser sintering system to produce parts for mechanical testing. Post heat treatments such as diffusion annealing to reduce internal stresses or hot isostatic pressing to remove closed pores were not applied. The density can visually be estimated to be > 99,9 %. According to EDS study Nb, Zr, and Ta are distributed homogeneously throughout the printed sample. There are no indications for any segregation or chemical inhomogeneity, i.e. variation of the element distribution. These points to the fact that under the applied experimental conditions the melt generated by the laser rapidly cools down in the SLM (Selective Laser Melting) process. The selective laser sintering yielded dense structures with relatively good surface quality. The mechanical properties, especially the elongation (24%) along with tensile strength ( > 500MPa) and modulus of elasticity (~60GPa), were found to be promising compared to titanium alloys in general.

Keywords: beta titanium alloys, additive manufacturing, powder, implants

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1126 Tribological Properties of Different Mass Ratio High Velocity Oxygen Fuel-Sprayed Al₂O₃-TiO₂ Coatings on Ti-6Al-4V Alloy

Authors: Mehmet Fahri Sarac, Gokcen Akgun

Abstract:

Ti–6Al–4V alloys are widely used in biomedical industries because of its attractive mechanical and physicochemical properties. However, they have poor wear resistance. High velocity oxygen fuel (HVOF) coatings were investigated as a way to improve the wear resistance of this alloy. In this paper, different mass ratio of Al₂O₃-TiO₂ powders (60/40, 87/13 and 97/3) was employed to enhance the tribological properties of Ti–6Al–4V. The tribological behavior was investigated by wear tests using ball-on-disc and pin-on-disc tribometer. The microstructures of the contact surfaces were determined by a scanning electron microscopy before and after the test to study the wear mechanism. Uncoated and coated surfaces after wear test are also subjected to micro-hardness tests. The tribological test results showed that the microhardness, friction and wear resistance of coated Ti-6Al-4V alloys increases by increasing TiO₂ content in the powder composite when other experimental conditions were constant. Finally, Al₂O₃-TiO₂ powder composites for the investigated conditions, both coating samples had satisfactory values of friction and wear resistance, and they could be suitable candidates for Ti–6Al–4V material.

Keywords: HVOF (High Velocity Oxygen Fuel), Al₂O₃-TiO₂, Ti-6Al-4V, tribology

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1125 NaOH/Pumice and LiOH/Pumice as Heterogeneous Solid Base Catalysts for Biodiesel Production from Soybean Oil: An Optimization Study

Authors: Joy Marie Mora, Mark Daniel De Luna, Tsair-Wang Chung

Abstract:

Transesterification reaction of soybean oil with methanol was carried out to produce fatty acid methyl esters (FAME) using calcined alkali metal (Na and Li) supported by pumice silica as the solid base catalyst. Pumice silica catalyst was activated by loading alkali metal ions to its surface via an ion-exchange method. Response surface methodology (RSM) in combination with Box-Behnken design (BBD) was used to optimize the operating parameters in biodiesel production, namely: reaction temperature, methanol to oil molar ratio, reaction time, and catalyst concentration. Using the optimized sets of parameters, FAME yields using sodium and lithium silicate catalysts were 98.80% and 98.77%, respectively. A pseudo-first order kinetic equation was applied to evaluate the kinetic parameters of the reaction. The prepared catalysts were characterized by several techniques such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Brunauer-Emmett-Teller (BET) sorptometer, and scanning electron microscopy (SEM). In addition, the reusability of the catalysts was successfully tested in two subsequent cycles.

Keywords: alkali metal, biodiesel, Box-Behnken design, heterogeneous catalyst, kinetics, optimization, pumice, transesterification

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1124 A Digital Representation of a Microstructure and Determining Its Mechanical Behavior

Authors: Burak Bal

Abstract:

Mechanical characterization tests might come with a remarkable cost of time and money for both companies and academics. The inquiry to transform laboratory experiments to the computational media is getting a trend; accordingly, the literature supplies many analytical ways to explain the mechanics of deformation. In our work, we focused on the crystal plasticity finite element modeling (CPFEM) analysis on various materials in various crystal structures to predict the stress-strain curve without tensile tests. For FEM analysis, which we used in this study was ABAQUS, a standard user-defined material subroutine (UMAT) was prepared. The geometry of a specimen was created via DREAM 3D software with the inputs of Euler angles taken by Electron Back-Scattered Diffraction (EBSD) technique as orientation, or misorientation angles. The synthetic crystal created with DREAM 3D is also meshed in a way the grains inside the crystal meshed separately, and the computer can realize interaction of inter, and intra grain structures. The mechanical deformation parameters obtained from the literature put into the Fortran based UMAT code to describe how material will response to the load applied from specific direction. The mechanical response of a synthetic crystal created with DREAM 3D agrees well with the material response in the literature.

Keywords: crystal plasticity finite element modeling, ABAQUS, Dream.3D, microstructure

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1123 Study of Nanocrystalline Al Doped Zns Thin Films by Chemical Bath Deposition Method

Authors: Hamid Merzouk, Djahida Touati-Talantikite, Amina Zaabar

Abstract:

New nanosized materials are in huge expansion worldwide. They play a fundamental role in various industrial applications thanks their unique and functional properties. Moreover, in recent years, a great effort has been made to the design and control fabrication of nanostructured semiconductors such zinc sulphide. In recent years, much attention has been accorded in doped and co-doped ZnS to improve the ZnS films quality. We present in this work the preparation and characterization of ZnS and Al doped ZnS thin films. Nanoparticles ZnS and Al doped ZnS films are prepared by chemical bath deposition method (CBD), for various dopant concentrations. Thin films are deposed onto commercial microscope glass slides substrates. Thiourea is used as sulfide ion source, zinc acetate as zinc ion source and manganese acetate as manganese ion source in alkaline bath at 90 °C. X-ray diffraction (XRD) analyses are carried out at room temperature on films and powders with a powder diffractometer, using CuKα radiation. The average grain size obtained from the Debye–Scherrer’s formula is around 10 nm. Films morphology is examined by scanning electron microscopy. IR spectra of representative sample are recorded with the FTIR between 400 and 4000 cm-1.The transmittance (70 %) is performed with the UV–VIS spectrometer in the wavelength range 200–800 nm. This value is enhanced by Al doping.

Keywords: ZnS, nanostructured semiconductors, thin films, chemical bath deposition

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1122 Optical Characterization and Surface Morphology of SnO2 Thin Films Prepared by Spin Coating Technique

Authors: J. O. Ajayi, S. S. Oluyamo, D. B. Agunbiade

Abstract:

In this work, tin oxide thin films (SnO2) were prepared using the spin coating technique. The effects of precursor concentration on the thin film properties were investigated. Tin oxide was synthesized from anhydrous Tin (II) Chloride (SnCl2) dispersed in Methanol and Acetic acid. The metallic oxide (SnO2) films deposited were characterized using the UV Spectrophotometer and the Scanning Electron Microscope (SEM). From the absorption spectra, absorption increases with decrease in precursor concentration. Absorbance in the VIS region is lower than 0 % at higher concentration. The optical transmission spectrum shows that transmission increases as the concentration of precursor decreases and the maximum transmission in visible region is about 90% for films prepared with 0.2 M. Also, there is increase in the reflectance of thin films as concentration of precursor increases. The films have high transparency (more than 85%) and low reflectance (less than 40%) in the VIS region. Investigation showed that the direct band gap value increased from 3.79eV, to 3.82eV as the precursor concentration decreased from 0.6 M to 0.2 M. Average direct bandgap energy for all the tin oxide films was estimated to be 3.80eV. The effect of precursor concentration was directly observed in crystal outgrowth and surface particle densification. They were found to increase proportionately with higher concentration.

Keywords: anhydrous TIN (II) chloride, densification, NIS- VIS region, spin coating technique

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1121 Experimental Study on Post-Fire Mechanical Properties of S235 Steel

Authors: Mahyar Maali, Merve Sagiroglu, Mahmut Kilic, Abdulkadir Cuneyt Aydin

Abstract:

In order to evaluate the residual strength of S235 (St37) steel structures after the fire, an experimental program was undertaken to investigate the post-fire mechanical properties. Tensile coupons taken from S235 sheets were exposed to varying temperatures as 200°C, 400°C, 600°C, and 800 °C. The samples were then allowed to cool down to ambient temperature before they were tested to failure. To obtain the mechanical properties of steels; tensile tests are performed, and the post-fire stress-strain curves are evaluated. The microstructures of the heat-treated specimens were examined by Scanning Electron Microscope (SEM). It is seen that morphology and size of the precipitates in the specimens change, as the heat increases. The modulus of elasticity decreases, and deformation increases with temperature. Energy dissipation decreases due to lower stress according to the stress-strain curves of the specimens. Especially, the mechanical properties were decreased compared with the pre-fire ones. As a result of the post-fire and pre-fire behavior of S235, a set of equations is evaluated to predict the mechanical properties after the fire. These types of equations may allow the structural and/or fire engineers to predict accurately the post-fire behavior of the buildings constructed with S235 type steel.

Keywords: post-fire behavior, stress-strain curves, experimental study, S235 steel

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1120 Green Synthesis and Characterization of Zinc and Ferrous Nanoparticles for Their Potent Therapeutic Approach

Authors: Mukesh Saran, Ashima Bagaria

Abstract:

Green nanotechnology is the most researched field in the current scenario. Herein we study the synthesis of Zinc and Ferrous nanoparticles using Moringa oleifera leaf extracts. Our protocol using established protocols heat treatment of plant extracts along with the solution of copper sulphate in the ratio of 1:1. The leaf extracts of Moringa oleifera were prepared in deionized water. Copper sulfate solution (1mM) was added to this, and the change in color of the solution was observed indicating the formation of Cu nanoparticles. The as biosynthesized Cu nanoparticles were characterized with the help of Scanning Electron Microscopy (SEM), and Fourier Transforms Infrared Spectroscopy (FTIR). It was observed that the leaf extracts of Moringa oleifera can reduce copper ions into copper nanoparticles within 8 to 10 min of reaction time. The method thus can be used for rapid and eco-friendly biosynthesis of stable copper nanoparticles. Further, we checked their antimicrobial and antioxidant potential, and it was observed that maximum antioxidant activity was observed for the particles prepared using the heating method. The maximum antibacterial activity was observed in Streptomyces grisveus particles and in Triochoderma Reesei for the maximum antifungal activity. At present, we are engaged in studying the anti-inflammatory activities of these as prepared nanoparticles.

Keywords: green synthesis, antibacterial, antioxidant, antifungal, anti-inflammatory

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1119 Biosynthesis of Selenium Oxide Nanoparticles by Streptomyces bikiniensis and Its Cytotoxicity as Antitumor Agents against Hepatocellular and Breast Cells Carcinoma

Authors: Maged Syed Ahamd, Manal Mohamed Yasser, Essam Sholkamy

Abstract:

In this paper, we reported that selenium (Se) nanoparticles were firstly biosynthesized with a simple and eco-friendly biological method. Their shape, size, FTIR (Fourier Transform Infrared spectroscopy), UV–vis spectra, TEM (Transmission Electron Microscopy) images and EDS (Energy Dispersive Spectroscopy) pattern have been analyzed. TEM analyses of the samples obtained at different stages indicated that the formation of these Se nanostructures was governed by an incubation time (12- 24- 48 hours). The Se nanoparticles were initially generated and then would transform into crystal seeds for the subsequent growth of nanowires; however obtaining stable Se nanowire with a diameter of about 15-100 nm. EDS shows that Se nanoparticles are entirely pure. The IR spectra showed the peaks at 550 cm-1, 1635 cm-1, 1994 cm-1 and 3430 cm-1 correspond to the presence of Se-O bending and stretching vibrations. The concentrations of Se-NPs (0, 1, 2, 5 µg/ml) did not give significantly effect on both two cell lines while the highest concentrations (10- 100 µg/ml gave significantly effects on them. The lethal dose (ID50%) of Se-NPs on Hep2 G and MCF-7 cells was obtained at 75.96 and 61.86 µg/ml, respectively. Results showed that Se nanoparticles as anticancer agent against MCF-7 cells were more effective than Hep2 G cells. Our results suggest that Se-NPs may be a candidate for further evaluation as a chemotherapeutic agent for breast and liver cancers.

Keywords: selenium nanoparticle, Streptomyces bikiniensis, nanowires, chemotherapeutic agent

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1118 Experimental and Theoretical Approach, Hirshfeld Surface, Reduced Density Gradient, Molecular Docking of a Thiourea Derivative

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

Abstract:

A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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1117 Nonlinear Absorption and Scattering in Wide Band Gap Silver Sulfide Nanoparticles Colloid and Their Effects on the Optical Limiting

Authors: Hoda Aleali, Nastran Mansour, Maryam Mirzaie

Abstract:

In this paper, we study the optical nonlinearities of Silver sulfide (Ag2S) nanostructures dispersed in the Dimethyl sulfoxide (DMSO) under exposure to 532 nm, 15 nanosecond (ns) pulsed laser irradiation. Ultraviolet–visible absorption spectrometry (UV-Vis), X-ray diffraction (XRD), and transmission electron microscopy (TEM) are used to characterize the obtained nanocrystal samples. The band gap energy of colloid is determined by analyzing the UV–Vis absorption spectra of the Ag2S NPs using the band theory of semiconductors. Z-scan technique is used to characterize the optical nonlinear properties of the Ag2S nanoparticles (NPs). Large enhancement of two photon absorption effect is observed with increase in concentration of the Ag2S nanoparticles using open Z-scan measurements in the ns laser regime. The values of the nonlinear absorption coefficients are determined based on the local nonlinear responses including two photon absorption. The observed aperture dependence of the Ag2S NP limiting performance indicates that the nonlinear scattering plays an important role in the limiting action of the sample.The concentration dependence of the optical liming is also investigated. Our results demonstrate that the optical limiting threshold decreases with increasing the silver sulfide NPs in DMSO.

Keywords: nanoscale materials, silver sulfide nanoparticles, nonlinear absorption, nonlinear scattering, optical limiting

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1116 Improving Carbon Fiber Structural Battery Performance with Polymer Interface

Authors: Kathleen Moyer, Nora Ait Boucherbil, Murtaza Zohair, Janna Eaves-Rathert, Cary Pint

Abstract:

This study demonstrates the significance of interface engineering in the field of structural energy by being the first case where the performance of the system with the structural battery is greater than the performance of the same system with a battery separate from the system. The benefits of improving the interface in the structural battery were tested by creating carbon fiber composite batteries (and independent graphite electrodes and lithium iron phosphate electrodes) with and without an improved interface. Mechanical data on the structural batteries were collected using tensile tests and electrochemical data was collected using scanning electron microscopy equipment. The full-cell lithium-ion structural batteries had capacity retention of over 80% exceeding 100 cycles with an average energy density of 52 W h kg−1 and a maximum energy density of 58 W h kg−1. Most scientific developments in the field of structural energy have been done with supercapacitors. Most scientific developments with structural batteries have been done where batteries are simply incorporated into the structural element. That method has limited advantages and can create mechanical disadvantages. This study aims to show that a large improvement in structure energy research can be made by improving the interface between the structural device and the battery.

Keywords: composite materials, electrochemical performance, mechanical properties, polymer interface, structural batteries

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1115 Development of Al Foam by a Low-Cost Salt Replication Method for Industrial Applications

Authors: B. Soni, S. Biswas

Abstract:

Metal foams of Al find diverse applications in several industrial sectors such as in automotive and sports equipment industry as impact, acoustic and vibration absorbers, the aerospace industry as structural components in turbines and spatial cones, in the naval industry as low frequency vibration absorbers, and in construction industry as sound barriers inside tunnels, as fire proof materials and structure protection systems against explosions and even in heat exchangers, orthopedic components, and decorative items. Here, we report on the development of Al foams by a low cost and convenient technique of salt replication method with efficient control over size, geometry and distribution of the pores. Sodium bicarbonate was used as the foaming agent to form the porous refractory salt pattern. The mixed refractory salt slurry was microwave dried followed by sintering for selected time periods. Molten Al was infiltrated into the salt pattern in an inert atmosphere at a pressure of 2 bars. The final products were obtained by leaching out the refractory salt pattern. Mechanical properties of the derived samples were studied with a universal testing machine. The results were analyzed in correlation with their microstructural features evaluated with a scanning electron microscope (SEM).

Keywords: metal foam, Al, salt replication method, mechanical properties, SEM

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1114 Probing Multiple Relaxation Process in Zr-Cu Base Alloy Using Mechanical Spectroscopy

Authors: A. P. Srivastava, D. Srivastava, D. J. Browne

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Relaxation dynamics of Zr44Cu40Al8Ag8 bulk metallic glass (BMG) has been probed using dynamic mechanical analyzer. The BMG sample was casted in the form of a plate of dimension 55 mm x 40 mm x 3 mm using tilt casting technique. X-ray diffraction and transmission electron microscope have been used for the microstructural characterization of as-cast BMG. For the mechanical spectroscopy study, samples in the form of a bar of size 55 mm X 2 mm X 3 mm were machined from the BMG plate. The mechanical spectroscopy was performed on dynamic mechanical analyzer (DMA) by 50 mm 3-point bending method in a nitrogen atmosphere. It was observed that two glass transition process were competing in supercooled liquid region around temperature 390°C and 430°C. The supercooled liquid state was completely characterized using DMA and differential scanning calorimeter (DSC). In addition to the main α-relaxation process, presence of β relaxation process around temperature 360°C; below the glass transition temperature was also observed. The β relaxation process could be described by Arrhenius law with the activation energy of 160 kJ/mole. The volume of the flow unit associated with this relaxation process has been estimated. The results from DMA study has been used to characterize the shear transformation zone in terms of activation volume and size. High fragility parameter value of 34 and higher activation volume indicates that this alloy could show good plasticity in supercooled liquid region. The possible mechanism for the relaxation processes has been discussed.

Keywords: DMA, glass transition, metallic glass, thermoplastic forming

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1113 Fouling of Regenerated Ultrafiltration Membrane in Treatment of Oily Wastewater of Palm Oil Refinery

Authors: K. F. Md Yunos, N. S. Pajar, N. S. Azmi

Abstract:

Oily wastewater in Malaysian refinery has become a big issue of water and environment pollution to be solved urgently. The results of an experimental study on separation of oily wastewaters are presented. The characteristic of filtration behavior of commercial polymer ultrafiltration (UF) membranes was evaluated in the treatment of oily wastewater from palm oil refinery. The performance of different molecular weight cut off 5kDa and 10kDa regenerated cellulose membrane were evaluated and compared and the fouling behavior were analyzed by scanning electron microscopy (SEM). The effect of pressure (0.5, 1.0, 1.5, 2.0, 2.5 bar) and sample concentration (100%, 75%, 50%, 25%) on fouling of 5kDa and 10kDa membrane were evaluated. The characteristic of the sample solutions were analyzed for turbidity, total dissolved solid (TDS), total suspended solid (TSS), BOD, and COD. The results showed that the best fit to experimental data corresponds to the cake layer formation followed by the intermediate blocking for the experimental conditions tested. A more detailed analysis of the fouling mechanisms was studied by dividing the filtration curves into different regions corresponding to the different fouling mechanisms. Intermediate blocking and cake layer formation or combinations of them were found to occur during the UF experiments depending on the operating conditions.

Keywords: fouling, oily wastewater, regenerated cellulose, ultrafiltration

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1112 Investigating Nanocrystalline CaF2:Tm for Carbon Beam and Gamma Radiation Dosimetry

Authors: Kanika Sharma, Shaila Bahl, Birendra Singh, Pratik Kumar, S. P. Lochab, A. Pandey

Abstract:

In the present investigation, initially nano-particles of CaF2 were prepared by the chemical co-precipitation method and later the prepared salt was activated by thulium (0.1 mol%) using the combustion technique. The final product was characterized and confirmed by X-Ray diffraction (XRD) and transmission electron microscopy (TEM). Further, the thermoluminescence (TL) properties of the nanophosphor were studied by irradiating it with 1.25 MeV of gamma radiation and 65 MeV of carbon (C6+) ion beam. For gamma rays, two prominent TL peaks were observed with a low temperature peak at around 1070C and a high temperature peak at around 1570C. Furthermore, the nanophosphor maintained a linear TL response for the entire range of studied doses i.e. 10 Gy to 2000 Gy for both the temperature peaks. Moreover, when the nanophosphor was irradiated with 65 MeV of C6+ ion beam the shape and structure of the glow curves remained spectacularly similar and the nanophosphor displayed a linear TL response for the full range of studied fluences i.e. 5*1010 ions/cm2 to 1 *1012 ions/ cm2. Finally, various tests like reproducibility test and batch homogeneity were also carried out to define the final product. Thus, co-precipitation method followed by combustion technique was successful in effectively producing dosimetric grade CaF2:Tm for dosimetry of gamma as well as carbon (C6+) beam.

Keywords: gamma radiation, ion beam, nanocrystalline, radiation dosimetry

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1111 Synthesize And Physicochemical Characterization Of Biomimetic Scaffold Of Gelatin/zn-incorporated 58s Bioactive Glass

Authors: SeyedMohammad Hosseini, Amirhossein Moghanian

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The main purpose of this research was to design a biomimetic system by freeze-drying method for evaluating the effect of adding 5 and 10 mol. % of zinc (Zn)in 58S bioactive glass and gelatin (5ZnBG/G and 10ZnBG/G) in terms of structural and biological changes. The structural analyses of samples were performed by X-Ray Diffraction (XRD), scanning electron microscopy (SEM), and Fourier-transform infrared spectroscopy (FTIR). Also, 3-(4,5dimethylthiazol-2-yl)-2,5-diphenyltetrazoliumbromide(MTT) and alkaline phosphate (ALP) activity test were carried out for investigation of MC3T3-E1cell behaviors. The SEM results demonstrated the spherical shape of the formed hydroxyapatite (HA) phases, and also HA characteristic peaks were detected by X-ray diffraction spectroscopy (XRD)after 3 days of immersion in the simulated body fluid (SBF) solution. Meanwhile, FTIR spectra proved that the intensity of P–O peaks for 5ZnBG/G was more than 10ZnBG/G and control samples. Moreover, the results of alkaline phosphatase activity (ALP) test illustrated that the optimal amount of Zn (5ZnBG/G) caused a considerable enhancement in bone cell growth. Taken together, the scaffold with 5 mol.% Zn was introduced as an optimal sample because of its higher biocompatibility, in vitro bioactivity, and growth of MC3T3-E1cellsin in comparison with other samples in bone tissue engineering.

Keywords: scaffold, gelatin, modified bioactive glass, alp, bone tissue engineering

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1110 Produce Large Surface Area Activated Carbon from Biomass for Water Treatment

Authors: Rashad Al-Gaashani

Abstract:

The physicochemical activation method was used to produce high-quality activated carbon (AC) with a large surface area of about 2000 m2/g from low-cost and abundant biomass wastes in Qatar, namely date seeds. X-Ray diffraction (XRD), scanning electron spectroscopy (SEM), energy dispersive X-Ray spectroscopy (EDS), and Brunauer-Emmett-Teller (BET) surface area analysis was used to evaluate the AC samples. AC produced from date seeds has a wide range of pores available, including micro- and nano-pores. This type of AC with a well-developed pore structure may be very attractive for different applications, including air and water purification from micro and nano pollutants. Heavy metals iron (III) and copper (II) ions were removed from wastewater using the AC produced using a batch adsorption technique. The AC produced from date seeds biomass wastes shows high removal of heavy metals such as iron (III) ions (100%) and copper (II) ions (97.25%). The highest removal of copper (II) ions (100%) with AC produced from date seeds was found at pH 8, whereas the lowest removal (22.63%) occurred at pH 2. The effect of adsorption time, adsorbent dose, and pH on the removal of heavy metals was studied.

Keywords: activated carbon, date seeds, biomass, heavy metals removal, water treatment

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1109 Atomic Layer Deposition of MoO₃ on Mesoporous γ-Al₂O₃ Prepared by Sol-Gel Method as Efficient Catalyst for Oxidative Desulfurization of Refractory Dibenzothiophene Compound

Authors: S. Said, Asmaa A. Abdulrahman

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MoOₓ/Al₂O₃ based catalyst has long been widely used as an active catalyst in oxidative desulfurization reaction due to its high stability under severe reaction conditions and high resistance to sulfur poisoning. In this context, 4 & 9wt.% MoO₃ grafted on mesoporous γ-Al₂O₃ has been synthesized using the modified atomic layer deposition (ALD) method. Another MoO₃/Al₂O₃ sample was prepared by the conventional wetness impregnation (IM) method, for comparison. The effect of the preparation methods on the metal-support interaction was evaluated using different characterization techniques, including X-ray diffraction, X-ray photoelectron spectroscopy (XPS), N₂-physisorption, transmission electron microscopy (TEM), H₂- temperature-programmed reduction and FT-IR. Oxidative desulfurization (ODS) reaction of the model fuel oil was used as a probe reaction to examine the catalytic efficiency of the prepared catalysts. ALD method led to samples with much better physicochemical properties than those of the prepared one via the impregnation method. However, the 9 wt.%MoO₃/Al₂O₃ (ALD) catalyst in the ODS reaction of model fuel oil shows enhanced catalytic performance with ~90%, which has been attributed to the more Mo⁶⁺ surface concentrations relative to Al³⁺ with large pore diameter and surface area. The kinetic study shows that the ODS of DBT follows a pseudo first-order rate reaction.

Keywords: mesoporous Al₂O₃, xMoO₃/Al₂O₃, atomic layer deposition, wetness impregnation, ODS, DBT

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1108 Immuno-field Effect Transistor Using Carbon Nanotubes Network – Based for Human Serum Albumin Highly Sensitive Detection

Authors: Muhamad Azuddin Hassan, Siti Shafura Karim, Ambri Mohamed, Iskandar Yahya

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Human serum albumin plays a significant part in the physiological functions of the human body system (HSA).HSA level monitoring is critical for early detection of HSA-related illnesses. The goal of this study is to show that a field effect transistor (FET)-based immunosensor can assess HSA using high aspect ratio carbon nanotubes network (CNT) as a transducer. The CNT network were deposited using air brush technique, and the FET device was made using a shadow mask process. Field emission scanning electron microscopy and a current-voltage measurement system were used to examine the morphology and electrical properties of the CNT network, respectively. X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy were used to confirm the surface alteration of the CNT. The detection process is based on covalent binding interactions between an antibody and an HSA target, which resulted in a change in the manufactured biosensor's drain current (Id).In a linear range between 1 ng/ml and 10zg/ml, the biosensor has a high sensitivity of 0.826 mA (g/ml)-1 and a LOD value of 1.9zg/ml.HSA was also identified in a genuine serum despite interference from other biomolecules, demonstrating the CNT-FET immunosensor's ability to quantify HSA in a complex biological environment.

Keywords: carbon nanotubes network, biosensor, human serum albumin

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1107 Preparation and Conductivity Measurements of LSM/YSZ Composite Solid Oxide Electrolysis Cell Anode Materials

Authors: Christian C. Vaso, Rinlee Butch M. Cervera

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One of the most promising anode materials for solid oxide electrolysis cell (SOEC) application is the Sr-doped LaMnO3 (LSM) which is known to have a high electronic conductivity but low ionic conductivity. To increase the ionic conductivity or diffusion of ions through the anode, Yttria-stabilized Zirconia (YSZ), which has good ionic conductivity, is proposed to be combined with LSM to create a composite electrode and to obtain a high mixed ionic and electronic conducting anode. In this study, composite of lanthanum strontium manganite and YSZ oxide, La0.8Sr0.2MnO3/Zr0.92Y0.08O2 (LSM/YSZ), with different wt.% compositions of LSM and YSZ were synthesized using solid-state reaction. The obtained prepared composite samples of 60, 50, and 40 wt.% LSM with remaining wt.% of 40, 50, and 60, respectively for YSZ were fully characterized for its microstructure by using powder X-ray diffraction (XRD), Thermogravimetric analysis (TGA), Fourier transform infrared (FTIR), and Scanning electron microscope/Energy dispersive spectroscopy (SEM/EDS) analyses. Surface morphology of the samples via SEM analysis revealed a well-sintered and densified pure LSM, while a more porous composite sample of LSM/YSZ was obtained. Electrochemical impedance measurements at intermediate temperature range (500-700 °C) of the synthesized samples were also performed which revealed that the 50 wt.% LSM with 50 wt.% YSZ (L50Y50) sample showed the highest total conductivity of 8.27x10-1 S/cm at 600 oC with 0.22 eV activation energy.

Keywords: ceramics, microstructure, fuel cells, electrochemical impedance spectroscopy

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1106 Nanosilver Loaded Biomaterial for Wound Healing Applications: In Vitro Studies

Authors: Sathish Sundar Dhilip Kumar, Nicolette Houreld, Heidi Abrahamse

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Silver nanoparticles (AgNPs) are classified as metal-based nanomaterials and have received considerable attention globally for wound healing and tissue engineering applications. Naturally available materials are a significant source of medicinal products to treat numerous diseases; polysaccharides are among them. Polysaccharides are non-toxic, safe, and inexpensive, and it has good biocompatibility and biodegradability. Most polysaccharides are shown to have a positive effect on wound healing processes, including chitosan and gum tragacanth. The present study evaluated the improvement of cellular wound healing by nanosilver-loaded polysaccharide-based biomaterial (CGT-NS) in WS1 cells. The physicochemical properties of prepared CGT-NS were studied using different characterization techniques, and it exhibited better stability and swelling properties in various pH conditions. Surface morphology was studied using scanning electron microscopy, and it revealed the porous morphology of the synthesized CGT-NS. The synthesized biomaterial displayed acceptable antibacterial properties against Gram-positive and Gram-negative bacterial strains, and it may prevent infection. The biocompatibility of the synthesized CGT-NS biomaterial was studied in WS1 cells, where it may lead to promote increased cell adhesion and proliferation properties. Thus, the CGT-NS biomaterial has good potential as a biomaterial in wound healing applications.

Keywords: biomaterial, wound healing, nano, silver nanoparticles

Procedia PDF Downloads 183