Search results for: electron density discrepancy analysis

Authors: Yew Mun Yip, Dawei Zhang

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Proteins are the biological machinery that executes specific vital functions in every cell of the human body by folding into their 3D structures. When a protein misfolds from its native structure, the machinery will malfunction and lead to misfolding diseases. Although in vitro experiments are able to conclude that the mutations of the amino acid sequence lead to incorrectly folded protein structures, these experiments are unable to decipher the folding process. Therefore, molecular dynamic (MD) simulations are employed to simulate the folding process so that our improved understanding of the folding process will enable us to contemplate better treatments for misfolding diseases. MD simulations make use of force fields to simulate the folding process of peptides. Secondary structures are formed via the hydrogen bonds formed between the backbone atoms (C, O, N, H). It is important that the hydrogen bond energy computed during the MD simulation is accurate in order to direct the folding process to the native structure. Since the atoms involved in a hydrogen bond possess very dissimilar electronegativities, the more electronegative atom will attract greater electron density from the less electronegative atom towards itself. This is known as the polarization effect. Since the polarization effect changes the electron density of the two atoms in close proximity, the atomic charges of the two atoms should also vary based on the strength of the polarization effect. However, the fixed atomic charge scheme in force fields does not account for the polarization effect. In this study, we introduce the polarized structure-specific backbone charge (PSBC) model. The PSBC model accounts for the polarization effect in MD simulation by updating the atomic charges of the backbone hydrogen bond atoms according to equations derived between the amount of charge transferred to the atom and the length of the hydrogen bond, which are calculated from quantum-mechanical calculations. Compared to other polarizable models, the PSBC model does not require quantum-mechanical calculations of the peptide simulated at every time-step of the simulation and maintains the dynamic update of atomic charges, thereby reducing the computational cost and time while accounting for the polarization effect dynamically at the same time. The PSBC model is applied to two different β-peptides, namely the Beta3s/GS peptide, a de novo designed three-stranded β-sheet whose structure is folded in vitro and studied by NMR, and the trpzip peptides, a double-stranded β-sheet where a correlation is found between the type of amino acids that constitute the β-turn and the β-propensity.

Keywords: hydrogen bond, polarization effect, protein folding, PSBC

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Authors: Charmaine Lamiel, Van Hoa Nguyen, Deivasigamani Ranjith Kumar, Jae-Jin Shim

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The quest for alternative sources of energy storage had led to the exploration on supercapacitors. Hybrid supercapacitors, a combination of carbon-based material and transition metals, had yielded long and improved cycle life as well as high energy and power densities. In this study, microwave irradiation was used for the facile and rapid synthesis of mesoporous RGO@(Co,Mn)3O4 nanosheets as an active electrode material. The advantages of this method include the non-use of reducing agents and acidic medium, and no further post-heat treatment. Additionally, it offers shorter reaction time at low temperature and low power requirement, which allows low fabrication and energy cost. The as-prepared electrode material demonstrated a high capacitance of 953 F•g−1 at 1 A•g−1 in a 6 M KOH electrolyte. Furthermore, the electrode exhibited a high energy density of 76.2 Wh•kg−1 (power density of 720 W•kg−1) and a high power density of 7200 W•kg−1 (energy density of 38 Wh•kg−1). The successful synthesis was considered to be efficient and cost-effective, with very promising electrochemical performance that can be used as an active material in supercapacitors.

Keywords: cobalt manganese oxide, electrochemical, graphene, microwave synthesis, supercapacitor

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Authors: Perumalla Naveen Kumar

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Global Positioning System (GPS) is used for civilian and military user positioning applications. The accuracy of GPS is degrading mainly because of ionospheric error. It is very important to analyze the effects of ionosphere on the performance of satellite systems especially in the low latitude regions. These variations depend on the Total Electron Content (TEC) in the ionosphere. To investigate the variations in the atmosphere, a mini satellite known as YOUTHSAT is launched by India. This is the outcome of the collaboration between India and USSR. One of the YOUTHSAT Indian payload is RaBIT (Radio Beacon for Ionospheric Tomography). In this paper, YOUTHSAT RaBIT payload data for the three typical days of 2011 are considered. The analysis is carried out for four Indian stations. The variations of Slant TEC, elevation angle and azimuth angles are analyzed with respect to local time. The obtained results are encouraging.

Keywords: Global Positioning System (GPS), Total Electron Content (TEC), YOUTHSAT, Radio Beacon for Ionospheric Tomography (RaBIT)

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Authors: Ahmed Bahieldin, Ahmed Atef, Jamal S. M. Sabir, Nour O. Gadalla, Sherif Edris, Ahmed M. Alzohairy, Nezar A. Radhwan, Mohammed N. Baeshen, Ahmed M. Ramadan, Hala F. Eissa, Sabah M. Hassan, Nabih A. Baeshen, Osama Abuzinadah, Magdy A. Al-Kordy, Fotouh M. El-Domyati, Robert K. Jansen

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Wild salt-tolerant barley (Hordeum spontaneum) is the ancestor of cultivated barley (Hordeum vulgare or H. vulgare). Although the cultivated barley genome is well studied, little is known about genome structure and function of its wild ancestor. In the present study, RNA-Seq analysis was performed on young leaves of wild barley treated with salt (500 mM NaCl) at four different time intervals. Transcriptome sequencing yielded 103 to 115 million reads for all replicates of each treatment, corresponding to over 10 billion nucleotides per sample. Of the total reads, between 74.8 and 80.3% could be mapped and 77.4 to 81.7% of the transcripts were found in the H. vulgare unigene database (unigene-mapped). The unmapped wild barley reads for all treatments and replicates were assembled de novo and the resulting contigs were used as a new reference genome. This resultedin94.3 to 95.3%oftheunmapped reads mapping to the new reference. The number of differentially expressed transcripts was 9277, 3861 of which were uni gene-mapped. The annotated unigene- and de novo-mapped transcripts (5100) were utilized to generate expression clusters across time of salt stress treatment. Two-dimensional hierarchical clustering classified differential expression profiles into nine expression clusters, four of which were selected for further analysis. Differentially expressed transcripts were assigned to the main functional categories. The most important groups were ‘response to external stimulus’ and ‘electron-carrier activity’. Highly expressed transcripts are involved in several biological processes, including electron transport and exchanger mechanisms, flavonoid biosynthesis, reactive oxygen species (ROS) scavenging, ethylene production, signaling network and protein refolding. The comparisons demonstrated that mRNA-Seq is an efficient method for the analysis of differentially expressed genes and biological processes under salt stress.

Keywords: electron transport, flavonoid biosynthesis, reactive oxygen species, rnaseq

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Authors: Marcelle Muriel Domkam Tchunkam, Rolin Feudjio

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This work investigates the ultrastructure, physicochemical and thermal properties evaluation of Palm Kernel Shells (PKS). PKS Tenera waste samples were obtained from a palm oil mill in Dizangué Sub-Division, Littoral region of Cameroon, while PKS Dura waste samples were collected from the Institute of Agricultural Research for Development (IRAD) of Mbongo. A sodium hydroxide solution was used to wash the shells. They were then rinsed by demineralised water and dried in an oven at 70 °C during 72 hours. They were then grounded and sieved to obtained powders from 0.04 mm to 0.45 mm in size. Transmission Electron Microscopy (TEM) and Surface Electron Microscopy (SEM) were used to characterized powder samples. Chemical compounds and elemental constituents, as well as thermal performance were evaluated by Van Soest Method, TEM/EDXA and SEM/EDS techniques. Thermal characterization was also performed using Differential Scanning Calorimetry (DSC) and Thermogravimetric Analysis (TGA). Our results from microstructural analysis revealed that most of the PKS material is made of particles with irregular morphology, mainly amorphous phases of carbon/oxygen with small amounts of Ca, K, and Mg. The DSC data enabled the derivation of the materials’ thermal transition phases and the relevant characteristic temperatures and physical properties. Overall, our data show that PKS have nanopores and show potential in 3D printing and membrane filtration applications.

Keywords: DSC, EDXA, palm kernel shells, SEM, TEM

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Authors: Jiwuer Jilili, Fabrizio Cossu, Udo Schwingenschlogl

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By first-principles calculations we investigate the structural, electronic, and magnetic properties of the (LaMnO3)2/(SrTiO3)2 superlattice. We find that a monoclinic C2h symmetry is energetically favorable and that the spins order ferromagnetically. Under both compressive and tensile uniaxial strain the electronic structure of the superlattice shows a half-metallic character. In particular, a fully spin-polarized two-dimensional electron gas, which traces back to the Ti 3dxy orbitals, is achieved under compressive uniaxial strain.

Keywords: manganite, strain, 2DEG, superlattice

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Authors: Louis Denis Kevin Catherine, Raja Aziz Raja Ma’arof, Azrina Arshad, Sangeeth Suresh

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Machining parameters are very important in determining the surface quality of any material. In the past decade, some new engineering materials were developed for the manufacturing industry which created a need to conduct an investigation on the impact of the said parameters on their surface roughness. The polyurethane (PU) block is widely used in the automotive industry to manufacture parts such as checking fixtures that are used to verify the dimensional accuracy of automotive parts. In this paper, the design of experiment (DOE) was used to investigate the effect of the milling parameters on the PU block. Furthermore, an analysis of the machined surface chemical composition was done using scanning electron microscope (SEM). It was found that the surface roughness of the PU block is severely affected when PU undergoes a flood machining process instead of a dry condition. In addition, the step over and the silicon content were found to be the most significant parameters that influence the surface quality of the PU block.

Keywords: polyurethane (PU), design of experiment (DOE), scanning electron microscope (SEM), surface roughness

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Authors: M. Kaviani Darani, S. Bastani, M. Ghahari, P. Kardar

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In this paper the NaYF4: Yb3+, Tm3+ nanocrystals were synthesized by hydrothermal method. Different chelating ligand type (citric acid, butanoic acid, and AOT) was selected to investigate the effect of their concentration on upconversion efficiency. Crystal structure and morphology have been well characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) analysis. Photo luminescence were recorded on a spectrophotometer equipped with 980 nm laser diode az excitation source and an integerating sphere. The products with various morphologies range from sphere to cubic, hexagonal,prism and nanorods were prepared at different ratios. The particle size was found to be dependent on the nucleation rate, which, in turn, was affected by type and concentration of ligands. The optimum amount of chelate to RE ratio was obtained 0.75, 1.5, and 1 for Citric Acid, Butanoic Acid and AOT, respectively. Emissions in the UV (1D2-3H6), blue-violet(1D2-3F4), blue (1G4-3H6), red (1G4-3F4), and NIR (1G4-3H5) were observed and were the direct result of subsequent transfers of energy from the Yb3+ ion to the Tm3+ ion.

Keywords: upconversion nanoparticles, NaYF4, lanthanide, hydrothermal

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Authors: Han Run-Sheng, Li Wen-Yao, Wang Feng, Liu Fei, Qiu Wen-Long, Lei Li

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Accurately positioning detection of concealed deposits or ore-bodies is one of the difficult problems in mineral exploration field. Theory calculation and exploration practices for tunnel gravity indicate that 3D high-precision Tunnel Gravity Exploration Method (TGEM) can find concealed high-density three-dimensional ore-bodies in the depth. The ore-finding breakthroughs at the depth of the Zhaotong Maoping carbonate-hosted Zn–Pb–(Ag–Ge) deposit in Northeastern Yunnan have proved that the exploration method in combination with MEAHFZ method is effective to detect concealed high-density ore-bodies. TGEM may overcome anomalous ambiguity of other geophysical methods for 3D positioning of concealed ore-bodies.

Keywords: 3D tunnel gravity exploration method, concealed high-density Ore-bodies, Zn–Pb–(Ag–Ge) deposit, Zaotong mapping, Northeastern Yunnan

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Authors: Mohammad A. Masoumi, Mohammad Zare, Soroush Sabouki

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This study investigates the aerodynamic characteristics of supertall buildings to evaluate wind turbine installation at high altitudes. Most recent studies have investigated supertall buildings at a horizontal plane, while a vertical plan could be as important, especially to install wind turbines. A typical square-plan building with a height of 500 m is investigated numerically at horizontal and vertical plans to evaluate wind power generation potentials. The results show good agreement with experimental data and past studies. Then four new geometries are proposed to improvise regions at high altitudes to install wind turbines. Evaluating the simulations shows two regions with high power density, which have the possibility to install wind turbines. Results show that improvised regions to install wind turbines at high altitudes contain significant power density while higher power density is found behind buildings in a far distance. In addition, power density fluctuations behind buildings are investigated, which show decreasing fluctuations by reaching 50 m altitude while altitudes lower than 20 m have the most fluctuations.

Keywords: wind power, supertall building, power density, aerodynamic characteristics, wind turbine mobile, quality assurance, testing, applications

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Authors: N.Quaranta, M. Caligaris, R. Varoli, A. Cristobal, M. Unsen, H. López

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Corncobs are agricultural wastes and they can be used as fuel or as raw material in different industrial processes like cement manufacture, contaminant adsorption, chemical compound synthesis, etc. The aim of this work is to characterize this waste and analyze the feasibility of its use as a pore-forming material in the manufacture of lightweight ceramics for the civil construction industry. The characterization of raw materials is carried out by using various techniques: electron diffraction analysis X-ray, differential and gravimetric thermal analyses, FTIR spectroscopy, ecotoxicity evaluation, among others. The ground corncobs, particle size less than 2 mm, are mixed with clay up to 30% in volume and shaped by uniaxial pressure of 25 MPa, with 6% humidity, in moulds of 70mm x 40mm x 18mm. Then the green bodies are heat treated at 950°C for two hours following the treatment curves used in ceramic industry. The ceramic probes are characterized by several techniques: density, porosity and water absorption, permanent volumetric variation, loss on ignition, microscopies analysis, and mechanical properties. DTA-TGA analysis of corncobs shows in the range 20°-250°C a small loss in TGA curve and exothermic peaks at 250°-500°C. FTIR spectrum of the corncobs sample shows the characteristic pattern of this kind of organic matter with stretching vibration bands of adsorbed water, methyl groups, C–O and C–C bonds, and the complex form of the cellulose and hemicellulose glycosidic bonds. The obtained ceramic bodies present external good characteristics without loose edges and adequate properties for the market requirements. The porosity values of the sintered pieces are higher than those of the reference sample without waste addition. The results generally indicate that it is possible to use corncobs as porosity former in ceramic bodies without modifying the usual sintering temperatures employed in the industry.

Keywords: ceramic industry, biomass, recycling, hemicellulose glycosidic bonds

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Authors: Augustus K. Lebechi, Kenneth I. Ozoemena

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Rechargeable zinc-air batteries (RZABs) have been described as one of the most viable next-generation ‘beyond-the-lithium-ion’ battery technologies with great potential for renewable energy storage. It is safe, with a high specific energy density (1086 Wh/kg), environmentally benign, and low-cost, especially in resource-limited African countries. For widespread commercialization, the sluggish oxygen reaction kinetics pose a major challenge that impedes the reversibility of the system. Hence, there is a need for low-cost and highly active bifunctional electrocatalysts. Manganese oxide catalysts on carbon conducting additives remain the best couple for the realization of such low-cost RZABs. In this work, hausmannite Mn₃O₄ nanoparticles were synthesized through the annealing method from commercial electrolytic manganese dioxide (EMD), multi-walled carbon nanotubes (MWCNTs) were synthesized via the chemical vapor deposition (CVD) method and carbon nanofibers (CNFs) were synthesized via the electrospinning process with subsequent carbonization. Both Mn₃O₄ catalysts and the carbon conducting additives (MWCNT and CNF) were thoroughly characterized using X-ray powder diffraction spectroscopy (XRD), scanning electron microscopy (SEM), thermogravimetry analysis (TGA) and X-ray photoelectron spectroscopy (XPS). Composite electrocatalysts (Mn₃O₄/CNT and Mn₃O₄/CNF) were investigated for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) in an alkaline medium. Using the established electrocatalytic modalities for evaluating the electrocatalytic performance of materials (including double layer, electrochemical active surface area, roughness factor, specific current density, and catalytic stability), CNFs proved to be the most efficient conducting additive material for the Mn₃O₄ catalyst. From the DFT calculations, the higher performance of the CNFs over the MWCNTs is related to the ability of the CNFs to allow for a more favorable distribution of the d-electrons of the manganese (Mn) and enhanced synergistic effect with Mn₃O₄ for weaker adsorption energies of the oxygen intermediates (O*, OH* and OOH*). In a proof-of-concept, Mn₃O₄/CNF was investigated as the air cathode for rechargeable zinc-air battery (RZAB) in a micro-3D-printed cell configuration. The RZAB showed good performance in terms of open circuit voltage (1.77 V), maximum power density (177.5 mW cm-2), areal-discharge energy and cycling stability comparable to Pt/C (20 wt%) + IrO2. The findings here provide fresh physicochemical perspectives on the future design and utility of CNFs for developing manganese-based RZABs.

Keywords: bifunctional electrocatalyst, oxygen evolution reaction, oxygen reduction reactions, rechargeable zinc-air batteries.

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Authors: Shuwen Hu, Yuancheng Lou, Dongxu Ji

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Photovoltaic (PV) power generation, as one of the most commercialized methods to utilize solar power, can only convert a limited range of solar spectrum into electricity, whereas the majority of the solar energy is dissipated as heat. To address this problem, thermoelectric (TE) module is often integrated with the concentrated PV module for waste heat recovery and regeneration. In this research, a feasibility analysis is conducted for the tandem concentrated photovoltaic-thermoelectric (CPV-TE) hybrid system considering various operational parameters as well as TE material properties. Furthermore, the power output density of the CPV-TE hybrid system is maximized by selecting the optimal TE material with application of a systematic assessment methodology. In the feasibility analysis, CPV-TE is found to be more advantageous than sole CPV system except under high optical concentration ratio with low cold side convective coefficient. It is also shown that the effects of the TE material properties, including Seebeck coefficient, thermal conductivity, and electrical resistivity, on the feasibility of CPV-TE are interacted with each other and might have opposite effect on the system performance under different operational conditions. In addition, the optimal TE material selected by the proposed assessment methodology can improve the system power output density by 227 W/m2 under highly concentrated solar irradiance hence broaden the feasible range of CPV-TE considering optical concentration ratio.

Keywords: feasibility analysis, material assessment methodology, photovoltaic waste heat recovery, tandem photovoltaic-thermoelectric

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Authors: Livia Eisler, Cristiane C. B. Alves, Cristina L. F. Ortolani, Kurt Faltin Jr.

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Purpose: This paper proposes a technically simple diagnosis method among orthodontists and maxillofacial surgeons in order to evaluate discrete bone alterations. The methodology consists of a protocol to optimize the diagnosis and minimize the possibility for orthodontic and ortho-surgical retreatment. Materials and Methods: A protocol of image processing and analysis, through ImageJ software and its plugins, was applied to 20 pairs of lateral cephalometric images obtained from cone beam computerized tomographies, before and 1 year after undergoing orthognathic surgery. The optical density of the images was analyzed in the condylar region to determine possible bone alteration after surgical correction. Results: Image density was shown to be altered in all image pairs, especially regarding the condyle contours. According to measures, condyle had a gender-related density reduction for p=0.05 and condylar contours had their alterations registered in mm. Conclusion: A simple, viable and cost-effective technique can be applied to achieve the more detailed image-based diagnosis, not depending on the human eye and therefore, offering more reliable, quantitative results.

Keywords: bone resorption, computer-assisted image processing, orthodontics, orthognathic surgery

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Authors: Khamael M. Abualnaja, Lidija Šiller, Benjamin R. Horrocks

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Metal-enhanced luminescence of silicon nano crystals (SiNCs) was determined using two different particle sizes of silver nano particles (AgNPs). SiNCs have been characterized by scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR) and X-ray photo electron spectroscopy (XPS). It is found that the SiNCs are crystalline with an average diameter of 65 nm and FCC lattice. AgNPs were synthesized using photochemical reduction of AgNO3 with sodium dodecyl sulphate (SDS). The enhanced luminescence of SiNCs by AgNPs was evaluated by confocal Raman microspectroscopy. Enhancement up to ×9 and ×3 times were observed for SiNCs that mixed with AgNPs which have an average particle size of 100 nm and 30 nm, respectively. Silver NPs-enhanced luminescence of SiNCs occurs as a result of the coupling between the excitation laser light and the plasmon bands of AgNPs; thus this intense field at AgNPs surface couples strongly to SiNCs.

Keywords: silver nanoparticles, surface enhanced raman spectroscopy (SERS), silicon nanocrystals, luminescence

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Authors: Michael Naderer, Manuel Hartong, Raad Al-Kinani

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The use of hollow conductors is known in electric generators of large MW scale. The application of motors of small scale between 50 and 200kW is new. The latest results in the practical application and set up of machines show that the power density can be raised significantly and the common problem of derating of the motors is prevented. Furthermore, new design dimensions can be realised as continuous current densities up to 75A/mm² are achievable. This paper shows the results of the application of hollow conductors for a motor design used for automotive traction machines comparing common coolings with hollow conductor cooling.

Keywords: degree of efficiency, electric motor design, hollow conductors, power density

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Authors: Meriem Bahij, Ahmed Nafidi, Boujemâa Achchab, Sílvio M. A. Gama, José A. O. Matos

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Stochastic modeling concerns the use of probability to model real-world situations in which uncertainty is present. Therefore, the purpose of stochastic modeling is to estimate the probability of outcomes within a forecast, i.e. to be able to predict what conditions or decisions might happen under different situations. In the present study, we present a model of a stochastic diffusion process based on the bi-Weibull distribution function (its trend is proportional to the bi-Weibull probability density function). In general, the Weibull distribution has the ability to assume the characteristics of many different types of distributions. This has made it very popular among engineers and quality practitioners, who have considered it the most commonly used distribution for studying problems such as modeling reliability data, accelerated life testing, and maintainability modeling and analysis. In this work, we start by obtaining the probabilistic characteristics of this model, as the explicit expression of the process, its trends, and its distribution by transforming the diffusion process in a Wiener process as shown in the Ricciaardi theorem. Then, we develop the statistical inference of this model using the maximum likelihood methodology. Finally, we analyse with simulated data the computational problems associated with the parameters, an issue of great importance in its application to real data with the use of the convergence analysis methods. Overall, the use of a stochastic model reflects only a pragmatic decision on the part of the modeler. According to the data that is available and the universe of models known to the modeler, this model represents the best currently available description of the phenomenon under consideration.

Keywords: diffusion process, discrete sampling, likelihood estimation method, simulation, stochastic diffusion process, trends functions, bi-parameters weibull density function

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Authors: Juan Patricio Ibáñez, Exequiel López

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A method for synthesizing copper nanoparticles through an electrochemical approach is proposed, employing surfactants to stabilize the size of the newly formed nanoparticles. The electrolyte was made up of a matrix of H₂SO₄ (190 g/L) having Cu²⁺ (from 3.2 to 9.5 g/L), sodium dodecyl sulfate -SDS- (from 0.5 to 1.0 g/L) and Tween 80 (from 0 to 7.5 mL/L). Tween 80 was used in a molar relation of 1 to 1 with SDS. A glass cell was used, which was in a thermostatic water bath to keep the system temperature, and the electrodes were cathodic copper as an anode and stainless steel 316-L as a cathode. This process was influenced by the control exerted through the initial copper concentration in the electrolyte and the applied current density. Copper nanoparticles of electrolytic purity, exhibiting a spherical morphology of varying sizes with low dispersion, were successfully produced, contingent upon the chemical composition of the electrolyte and current density. The minimum size achieved was 3.0 nm ± 0.9 nm, with an average standard deviation of 2.2 nm throughout the entire process. The deposited copper mass ranged from 0.394 g to 1.848 g per hour (over an area of 25 cm²), accompanied by an average Faradaic efficiency of 30.8% and an average specific energy consumption of 4.4 kWh/kg. The chemical analysis of the product employed X-ray powder diffraction (XRD), while physical characteristics such as size and morphology were assessed using atomic force microscopy (AFM). It was identified that the initial concentration of copper and the current density are the variables defining the size and dispersion of the nanoparticles, as they serve as reactants in the cathodic half-reaction. The presence of surfactants stabilizes the nanoparticle size as their molecules adsorb onto the nanoparticle surface, forming a thick barrier that prevents mass transfer with the exterior and halts further growth.

Keywords: copper nanopowder, electrochemical synthesis, current density, surfactant stabilizer

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Authors: C. L. Popa, S. L. Iconaru, A. Costescu, C. S. Ciobanu, M. Motelica Heino, R. Guegan, D. Predoi

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Surface functionalization of ceramic composites with a special focus on tetraethyl orthosilicate (TEOS) and hydroxyapatite (HAp) is discoursed. Mesoporous ceramic HAp-TEOS composites were prepared by the incorporation of hydroxyapatite into tetraethyl orthosilicate by sol-gel method. The resulting samples were analysed by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared (FT-IR) spectroscopy, and Raman spectroscopy and nitrogen physisorption. The removal of Pb2+ ions from aqueous solutions was evaluated using Atomic Absorbtion Spectroscopy (AAS). Removal experiments of Pb2+ ions were carried out in aqueous solutions with controlled Pb2+ at pH ~ 3 and pH ~ 5. After removal experiment of Pb2+ at pH 3 and pH 5, porous hydroxyapatite nanoparticles is transformed into PbHAp_3 and PbHAp_5 via the adsorption of Pb2+ ions followed by the cation exchange reaction. The diffraction patterns show that THAp nanoparticles were successfully coated with teos without any structural changes. On the other, the AAS analysis showed that THAp can be useful in the removal Pb2+ from water contaminated.

Keywords: teos, hydroxyapatite, environment applications, biosystems engineering

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Authors: Khaled Harrar, Rachid Jennane

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The purpose of this study is the discrimination of 28 postmenopausal with osteoporotic femoral fractures from an age-matched control group of 28 women using texture analysis based on fractals. Two pre-processing approaches are applied on radiographic images; these techniques are compared to highlight the choice of the pre-processing method. Furthermore, the values of the fractal dimension are compared to those of the fractal signature in terms of the classification of the two populations. In a second analysis, the BMD measure at proximal femur was compared to the fractal analysis, the latter, which is a non-invasive technique, allowed a better discrimination; the results confirm that the fractal analysis of texture on calcaneus radiographs is able to discriminate osteoporotic patients with femoral fracture from controls. This discrimination was efficient compared to that obtained by BMD alone. It was also present in comparing subgroups with overlapping values of BMD.

Keywords: osteoporosis, fractal dimension, fractal signature, bone mineral density

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Authors: Rit M., Girard R., Villot J., Thorel M.

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In a scenario of extensive residential housing renovation, stakeholders need models that support decision-making through a deep understanding of the existing building stock and accurate energy demand simulations. To address this need, we have modified an optimization model using open data that enables the study of renovation strategies at both territorial and national scales. This approach provides (1) a definition of a strategy to simplify decision trees from theoretical combinations, (2) input to decision makers on real-world renovation constraints, (3) more reliable identification of energy-saving measures (changes in technology or behaviour), and (4) discrepancies between currently planned and actually achieved strategies. The main contribution of the studies described in this document is the geographic scale: all residential buildings in the areas of interest were modeled and simulated using national data (geometries and attributes). These buildings were then renovated, when necessary, in accordance with the environmental objectives, taking into account the constraints applicable to each territory (number of renovations per year) or at the national level (renovation of thermal deficiencies (Energy Performance Certificates F&G)). This differs from traditional approaches that focus only on a few buildings or archetypes. This model can also be used to analyze the evolution of a building stock as a whole, as it can take into account both the construction of new buildings and their demolition or sale. Using specific case studies of French territories, this paper highlights a significant discrepancy between the strategies currently advocated by decision-makers and those proposed by our optimization model. This discrepancy is particularly evident in critical metrics such as the relationship between the number of renovations per year and achievable climate targets or the financial support currently available to households and the remaining costs. In addition, users are free to seek optimizations for their building stock across a range of different metrics (e.g., financial, energy, environmental, or life cycle analysis). These results are a clear call to re-evaluate existing renovation strategies and take a more nuanced and customized approach. As the climate crisis moves inexorably forward, harnessing the potential of advanced technologies and data-driven methodologies is imperative.

Keywords: residential housing renovation, MILP, energy demand simulations, data-driven methodology

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Authors: Noor Ul Huda, Mushtaq Ahmed, Nadia Mushtaq, Naila Sher, Rahmat Ali Khan

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Purpose: The green synthesis of AgNPs has been favored over chemical synthesis due to their distinctive properties such as high dispersion, surface-to-volume ratio, low toxicity, and easy preparation. In the present work, the biosynthesis of AgNPs (KE-AgNPs) was carried out in one step by using the traditionally used plant Kickxia elatine (KE) extract and then investigated its enzyme inhibiting activity against rat’s brain acetylcholinesterase (AChE) in vitro. Methods: KE-AgNPs were synthesized from 1mM AgNO₃ using KE extract and characterized by UV–spectroscopy, SEM, EDX, XRD, and FTIR analysis. Rat’s brain acetylcholinesterase (AChE) inhibition activity was evaluated by the standard protocol. Results: UV–spectrum at 416 nm confirmed the formation of KE-AgNPs. X-ray diffraction (XRD) pattern presented 2θ values corresponding to the crystalline nature of KE-AgNPs with an average size of 42.47nm. The scanning electron microscope (SEM) analysis confirmed the presence of spherical-shaped and huge density KE-AgNPs with a size of 50nm. Fourier transform infrared spectroscopy (FT-IR) suggested that the functional groups present in KE extract and on the surface of KE-AgNPs are responsible for the stability of biosynthesized NPs. Energy dispersive X-ray (EDX) displayed an intense sharp peak at 3.2 keV, presenting that Ag was the chief element with 61.67%. Both KE extract and KE-AgNPs showed good and potent anti-AChE activity, with higher inhibition potential at a concentration of 175 µg/ml. Statistical analysis showed that both KEE and AgNPs exhibited non-competitive type inhibition against AChE, i.e., Vmax decreased (34.17-68.64% and 22.29- 62.10%) in the concentration-dependent mode for KEE and KE-AgNPs respectively and while Km values remained constant. Conclusions: KEE and KE-AgNPs can be considered an inhibitor of rats’ brain AChE, and the synthesis of KE-AgNPs-based drugs can be used as a cheaper and alternative option against diseases such as Alzheimer’s disease.

Keywords: Kickxia elatine, AgNPs, brain homogenate, acetylcholinesterase, kinetics

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Authors: S. K. Jain, M. K. Mishra

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Oblique propagation of ion-acoustic solitons in magnetized electron-positron-ion (EPI) plasma with warm adiabatic ions and isothermal electrons has been studied. Korteweg-de Vries (KdV) equation using reductive perturbation method has been derived for the system, which admits an obliquely propagating soliton solution. It is found that for the selected set of parameter values, the system supports only compressive solitons. Investigations reveal that an increase in positron concentration diminishes the amplitude as well as the width of the soliton. It is also found that the temperature ratio of electron to positron (γ) affects the amplitude of the solitary wave. An external magnetic field do not affect the amplitude of ion-acoustic solitons, but obliqueness angle (θ), the angle between wave vector and magnetic field affects the amplitude. The amplitude of the ion-acoustic solitons increases with increase in angle of obliqueness. Magnetization and obliqueness drastically affect the width of the soliton. An increase in ionic temperature decreases the amplitude and width. For the fixed set of parameters, profiles have been drawn to study the combined effect with variation of two parameters on the characteristics of the ion-acoustic solitons (i.e., amplitude and width). The result may be applicable to plasma in the laboratory as well as in the magnetospheric region of the earth.

Keywords: ion-acoustic solitons, Korteweg-de Vries (KdV) equation, magnetized electron-positron-ion (EPI) plasma, reductive perturbation method

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Authors: Bensacia Nabila, Hadj-Ziane Amel, Sefah Karima

Abstract:

Carbon nanocomposites have received more attention in the last years in view of their special properties such as low density, high specific surface area, and thermal and mechanical stability. Taking into account the importance of these materials, many studies aimed at improving the synthesis process have been conducted. However, the presence of impurities could affect significantly the properties of these materials, and the characterization of these compounds is an important challenge to assure the quality of the new carbon nanocomposites. The present study aims to develop a new recyclable decontaminating material for dyes removal. This new material consists of an active element based on carbon nanotubes wrapped in a microcapsule of iron oxide. The adsorbent is characterized by Transmission electron microscopy, X-ray diffraction and the surface area was measured by the BET method.

Keywords: carbon nanocomposite, chitozen, elimination, dyes

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Authors: Saleh Alotaibi, Mohammed Quddus, Craig Morton, Jobair Bin Alam

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This paper explores the role of large-scale investment in transport sectors and the impact of increased railway accessibility on the efficiency of the regional economic productivity in the Kingdom of Saudi Arabia (KSA). There are considerable differences among the KSA regions in terms of their levels of investment and productivity due to their geographical scale and location, which in turn greatly affect their relative efficiency. The study used a non-parametric linear programming technique - Data Envelopment Analysis (DEA) - to measure the regional efficiency change over time and determine the drivers of inefficiency and their scope of improvement. In addition, Window DEA analysis is carried out to compare the efficiency performance change for various time periods. Malmquist index (MI) is also analyzed to identify the sources of productivity change between two subsequent years. The analysis involves spatial and temporal panel data collected from 1999 to 2018 for the 13 regions of the country. Outcomes reveal that transport investment and improved railway accessibility, in general, have significantly contributed to regional economic development. Moreover, the endowment of the new railway stations has spill-over effects. The DEA Window analysis confirmed the dynamic improvement in the average regional efficiency over the study periods. MI showed that the technical efficiency change was the main source of regional productivity improvement. However, there is evidence of investment allocation discrepancy among regions which could limit the achievement of development goals in the long term. These relevant findings will assist the Saudi government in developing better strategic decisions for future transport investments and their allocation at the regional level.

Keywords: data envelopment analysis, transport investment, railway accessibility, efficiency

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Authors: Sandeep Kumar, Naveen Gupta

Abstract:

Terahertz (THz) generation has been investigated by beating two cosh-Gaussian laser beams of the same amplitude but different wavenumbers and frequencies through rippled collisionless plasma. The ponderomotive force is operative which is induced due to the intensity gradient of the laser beam over the cross-section area of the wavefront. The electrons evacuate towards a low-intensity regime, which modifies the dielectric function of the medium and results in cross focusing of cosh-Gaussian laser beams. The evolution of spot size of laser beams has been studied by solving nonlinear Schrodinger wave equation (NLSE) with variational technique. The laser beams impart oscillations to electrons which are enhanced with ripple density. The nonlinear oscillatory motion of electrons gives rise to a nonlinear current density driving THz radiation. It has been observed that the periodicity of the ripple density helps to enhance the THz radiation.

Keywords: rippled collisionless plasma, cosh-gaussian laser beam, ponderomotive force, variational technique, nonlinear current density

Procedia PDF Downloads 178

Authors: Ana Elisa Ribeiro Costa, Sónia Daniela Ferreira Miranda, João Pedro De Carvalho Pereira, João Carlos Simões Bernardo

Abstract:

Elastomeric thermoplastics (TPEs) have been widely used in the footwear industry over the years. Recently this industry has been requesting materials that can combine lightweight and high abrasion resistance. Although there are blowing agents on the market to improve the lightweight, when these are incorporated into molten polymers during the extrusion or injection molding, it is necessary to have some specific processing conditions (e.g. effect of temperature and hydrodynamic stresses) to obtain good properties and acceptable surface appearance on the final products. Therefore, it is a great advantage for the compounder industry to acquire compounds that already include the blowing agents. In this way, they can be handled and processed under the same conditions as a conventional raw material. In this work, the expandable TPEs compounds, namely a TPU and a SEBS, with the incorporation of blowing agents, have been developed through a co-rotating modular twin-screw parallel extruder. Different blowing agents such as thermo-expandable microspheres and an azodicarbonamide were selected and different screw configurations and temperature profiles were evaluated since these parameters have a particular influence on the expansion inhibition of the blowing agents. Furthermore, percentages of incorporation were varied in order to investigate their influence on the final product properties. After the extrusion of these compounds, expansion was tested by the injection process. The mechanical and physical properties were characterized by different analytical methods like tensile, flexural and abrasive tests, determination of hardness and density measurement. Also, scanning electron microscopy (SEM) was performed. It was observed that it is possible to incorporate the blowing agents on the TPEs without their expansion on the extrusion process. Only with reprocessing (injection molding) did the expansion of the agents occur. These results are corroborated by SEM micrographs, which show a good distribution of blowing agents in the polymeric matrices. The other experimental results showed a good mechanical performance and its density decrease (30% for SEBS and 35% for TPU). This study suggested that it is possible to develop optimized compounds for footwear applications (e.g., sole shoes), which only will be able to expand during the injection process.

Keywords: blowing agents, expandable thermoplastic elastomeric compounds, low density, footwear applications

Procedia PDF Downloads 174

Authors: N. Tugrul, E. Sariburun, F. T. Senberber, A. S. Kipcak, E. Moroydor Derun, S. Piskin

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Boron-gypsum is a waste which occurs in the boric acid production process. In this study, the boron content of this waste is evaluated for the use in synthesis of magnesium borates and such evaluation of this kind of waste is useful more than storage or disposal. Magnesium borates, which are a sub-class of boron minerals, are useful additive materials for the industries due to their remarkable thermal and mechanical properties. Magnesium borates were obtained hydrothermally at different temperatures. Novelty of this study is the search of the solution density effects to magnesium borate synthesis process for the increasing the possibility of boron-gypsum usage as a raw material. After the synthesis process, products are subjected to XRD and FT-IR to identify and characterize their crystal structure, respectively.

Keywords: boron-gypsum, hydrothermal synthesis, magnesium borate, solution density

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Authors: Reza Fazaeli, Reza Eslami-Farsani, Hamid Targhagh

Abstract:

Low density polyethylene (LDPE) nanocomposites with 3, 5 and 7 wt. % cobalt ferrite (CoFe2O4) nanopowder fabricated with extrusion mixing and followed up by hot press to reach compact samples. The transmission/reflection measurements were carried out with a network analyzer in the frequency range of 8-12 GHz. By increasing the percent of CoFe2O4 nanopowder, reflection loss (S11) increases, while transferring loss (S21) decreases. Reflectivity (R) calculations made using S11 and S21. Increase in percent of CoFe2O4 nanopowder up to 7 wt. % in composite leaded to higher reflectivity amount, and revealed that increasing the percent of CoFe2O4 nanopowder up to 7 wt. % leads to further microwave absorption in 8-12 GHz range.

Keywords: nanocomposite, cobalt ferrite, low density polyethylene, microwave absorption

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Authors: Mahacine Amrani

Abstract:

A simple and rapid method for the determination of alcohol in gasoline-alcohol mixtures using density measurements is described. The method can determine a minimum of 1% of alcohol by volume. The precision of the method is ± 3%.The method is more useful for field test in the quality assessment of alcohol blended fuels.

Keywords: gasoline-alcohol, mixture, alcohol determination, density, measurement, Morocco

Procedia PDF Downloads 297