Search results for: density functional theoretical

Authors: Rosa Alin Cristian

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As in any other sports branch, there is also a relationship of dependence between the motor qualities and the technical skills in the sports dance, in the sense that superior performances from a technical, artistic point of view can be obtained only on the basis of a certain level of motor qualities and of the morphological and functional indices of the organism. Starting from the premise that physical training is a basic component of the dancers' training process, determining the efficacy and efficiency of the athletes in training and competitions, its main objectives are to obtain an optimal functional capacity of the body, which is reached through a superior level of development and manifestation of the basic and specific motor qualities, through appropriate values of the morph-functional indices, all against the background of a perfect state of health. We propose in this paper to create an inventory of the motor qualities specific to the sports dance, of their forms of manifestation, to establish some methodical priorities for their development, in order to support the specialists in their attempt to approach the physical training in the most rigorous and efficient way, according to the characteristics of each age category.

Keywords: physical training, motor skills, sports dance, performance

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Authors: Raffaele A. Calogero

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RNAseq represents an attractive methodology for the detection of functional genomic variants. RNAseq results obtained from polyA+ RNA selection protocol (POLYA) and from exonic regions capturing protocol (ACCESS) indicate that ACCESS detects 10% more coding SNV/INDELs with respect to POLYA. ACCESS requires less reads for coding SNV detection with respect to POLYA. However, if the analysis aims at identifying SNV/INDELs also in the 5’ and 3’ UTRs, POLYA is definitively the preferred method. No particular advantage comes from ACCESS or POLYA in the detection of fusion transcripts.

Keywords: fusion transcripts, INDEL, RNA-seq, WES, SNV

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Authors: Mahdi Almaky

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The thermostabilization of High Density Polyethylene (HDPE) is realized through the action of primary antioxidant such as phenolic antioxidants and secondary antioxidants as aryl phosphates. The efficiency of two secondary antioxidants, commercially named Irgafos 168 and Weston 399, was investigated using different physical, mechanical, spectroscopic, and calorimetric methods. The effect of both antioxidants on the processing stability and long term stability of HDPE produced in Ras Lanuf oil and gas processing Company were measured and compared. The combination of Irgafos 168 with Irganox 1010, as used in smaller concentration, results in a synergetic effect against thermo-oxidation and protect better than the combination of Weston 399 with Irganox 1010 against the colour change at processing temperature and during long term oxidation process.

Keywords: thermostabilization, high density polyethylene, primary antioxidant, phenolic antioxidant, Irgafos 168, Irganox 1010, Weston 399

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Authors: Christine K. Fulmer

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Social work education is competency based in nature. There is an expectation that graduates of social work programs throughout the world are to be prepared to practice at a level of competence, which is beneficial to both the well-being of individuals and community. Experiential learning is one way to prepare students for competent practice. The use of Problem-Based Learning (PBL) is a form experiential education that has been successful in a number of disciplines to bridge the gap between the theoretical concepts in the classroom to the real world. PBL aligns with the constructivist theoretical approach to learning, which emphasizes the integration of new knowledge with the beliefs students already hold. In addition, the basic tenants of PBL correspond well with the practice behaviors associated with social work practice including multi-disciplinary collaboration and critical thinking. This paper makes an argument for utilizing PBL in social work education.

Keywords: social work education, problem-based learning, pedagogy, experiential learning, constructivist theoretical approach

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Authors: C. W. Kan

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Fabrics can be treated to equip them with certain functional properties in which water repellency is one of the important functional effects. In this study, commercial water repellent agent was used under different application conditions to cotton fabric. Finally, the water repellent effect was evaluated by standard testing method. Thus, the aim of this study is to illustrate the proper application of water repellent finishing to cotton fabric and the results could provide guidance note to the students in learning this topic. Acknowledgment: Authors would like to thank the financial support from the Hong Kong Polytechnic University for this work.

Keywords: learning materials, water repellent, textiles, cotton

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Authors: Djeukeu Asongni William, Leng Marlyse, Gouado Inocent

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Background: Process for obtaining D. schimperiana chips involves a long period of cooking followed by drying of obtained products in the sun. Such a process could induce the modification of the functional properties of the chips, thus reducing the technological uses of these products. This study was conducted with a view to assessing the impact of this process on the chips of D. schimperiana. Methods: The chips used were purchased in Baham, Bamendjou and Bagangté markets during the month of February 2013. A representative sample of each market chips was formed by mixing the chips of several sellers. The control sample consisted of fresh yams that have been sliced to the average size of local chips then dried in the oven at 45 ° C for 36 h. On each sample was performed the analysis of the physico-chemical properties (carbohydrates, lipids, proteins, iron , phosphorus, reducing sugars, ash and total starch) and gelling properties both with and without inhibitor alpha-amylases (0.018 and 0.146 mol / l). Results: Results show that the levels of ash 2.99 g / 100gms, iron 1.01 g / 100gms and phosphorus 532.06 mg / 100gms fresh sample were significantly higher than those of the products obtained in the traditional process. The functional properties of the chips obtained from different methods shows that the peak viscosity of the fresh sample is larger than the other samples with or without inhibitor. In addition, the fresh sample has the lowest breakdown under the same conditions. Conclusion: These results show that traditional process reduces technological potential of chips, thus limiting the value of D. schimperiana.

Keywords: Dioscorea schimperiana, chips, functional properties, technological properties, valorization

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Authors: Khalid S. Hashim, Andy Shaw, Rafid Alkhaddar, Montserrat Ortoneda Pedrola

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A flow column has been innovatively used in the design of a new electrocoagulation reactor (ECR1) that will reduce the temperature of water being treated; where the flow columns work as a radiator for the water being treated. In order to investigate the performance of ECR1 and compare it to that of traditional reactors; 600 mL water samples with an initial temperature of 35 0C were pumped continuously through these reactors for 30 min at current density of 1 mA/cm2. The temperature of water being treated was measured at 5 minutes intervals over a 30 minutes period using a thermometer. Additional experiments were commenced to investigate the effects of initial temperature (15-35 0C), water conductivity (0.15 – 1.2 S) and current density (0.5 -3 mA/cm2) on the performance of ECR1. The results obtained demonstrated that the ECR1, at a current density of 1 mA/cm2 and continuous flow model, reduced water temperature from 35 0C to the vicinity of 28 0C during the first 15 minutes and kept the same level till the end of the treatment time. While, the temperature increased from 28.1 to 29.8 0C and from 29.8 to 31.9 0C in the batch and the traditional continuous flow models respectively. In term of initial temperature, ECR1 maintained the temperature of water being treated within the range of 22 to 28 0C without the need for external cooling system even when the initial temperatures varied over a wide range (15 to 35 0C). The influent water conductivity was found to be a significant variable that affect the temperature. The desirable value of water conductivity is 0.6 S. However, it was found that the water temperature increased rapidly with a higher current density.

Keywords: water temperature, flow column, electrocoagulation

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Authors: Vidula Shevade, B. J. Nagare, Sajeev Chacko

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First principles simulation, meaning density functional theory (DFT) calculations with plane waves and pseudopotential, has become a prized technique in condensed matter theory. Nanoparticles (NP) have been known to possess good catalytic activities, especially for molecules such as CO, O₂, etc. Among the metal NPs, Aluminium based NPs are also widely known for their catalytic properties. Aluminium metal is a lightweight, excellent electrical, and thermal abundant chemical element in the earth’s crust. Aluminium NPs, when added to solid rocket fuel, help improve the combustion speed and considerably increase combustion heat and combustion stability. Adding aluminium NPs into normal Al/Al₂O₃ powder improves the sintering processes of the ceramics, with high heat transfer performance, increased density, and enhanced thermal conductivity of the sinter. We used VASP and Gaussian 0₃ package to compute the geometries, electronic structure, and bonding properties of Al₁₂Ni as well as its interaction with O₂ and CO molecules. Several MD simulations were carried out using VASP at various temperatures from which hundreds of structures were optimized, leading to 24 unique structures. These structures were then further optimized through a Gaussian package. The lowest energy structure of Al₁₂Ni has been reported to be a singlet. However, through our extensive search, we found a triplet state to be lower in energy. In our structure, the Ni atom is found to be on the surface, which gives the non-zero magnetic moment. Incidentally, O2 and CO molecules are also triplet in nature, due to which the Al₁₂-Ni cluster is likely to facilitate the oxidation process of the CO molecule. Our results show that the most favourable site for the CO molecule is the Ni atom and that for the O₂ molecule is the Al atom that is nearest to the Ni atom. Al₁₂Ni-O₂ and Al₁₂-Ni-CO structures we extracted using VMD. Al₁₂Ni nanocluster, due to in triplet electronic structure configuration, indicates it to be a potential candidate as a catalyst for oxidation of CO molecules.

Keywords: catalyst, gaussian, nanoparticles, oxidation

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Authors: Liuhui Zhu, Peng Zeng

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With the rapid development in China, the urbanization has entered the transformation and promotion stage, and its direction of development has shifted to overall regional synergy. China has a large number of towns and villages, with comparative small scale and scattered distribution, which always support and provide resources to cities leading to urban-rural opposition, so it is difficult to achieve common development in a single town or village. In this context, the regional development should focus more on towns and villages to form a synergetic system, joining the regional association with cities. Thus, the paper raises the question about how to effectively organize towns and villages system to regulate the resource allocation and improve the comprehensive value of the regional area. To answer the question, it is necessary to find a suitable research unit and analysis of its present situation of towns and villages system for optimal development. By combing relevant researches and theoretical models, the county is the most basic administrative unit in China, which can directly guide and regulate the development of towns and villages, so the paper takes county as the research unit. Following the theoretical concept of ‘three structures and one network’, the paper concludes the research framework to analyse the present situation of towns and villages system, including scale structure, functional structure, spatial structure, and organization network. The analytical methods refer to the fractal theory and gravity model, using statistics and spatial data. The scale structure analyzes rank-size dimensions and uses the principal component method to calculate the comprehensive scale of towns and villages. The functional structure analyzes the functional types and industrial development of towns and villages. The spatial structure analyzes the aggregation dimension, network dimension, and correlation dimension of spatial elements to represent the overall spatial relationships. In terms of organization network, from the perspective of entity and ono-entity, the paper analyzes the transportation network and gravitational network. Based on the present situation analysis, the optimization strategies are proposed in order to achieve a synergetic relationship between towns and villages in the county area. The paper uses Suning county in the Beijing-Tianjin-Hebei region as a case study to apply the research framework and methods and then proposes the optimization orientations. The analysis results indicate that: (1) The Suning county is lack of medium-scale towns to transfer effect from towns to villages. (2) The distribution of gravitational centers is uneven, and the effect of gravity is limited only for nearby towns and villages. The gravitational network is not complete, leading to economic activities scattered and isolated. (3) The overall development of towns and villages system is immature, staying at ‘single heart and multi-core’ stage, and some specific optimization strategies are proposed. This study provides a regional view for the development of towns and villages and concludes the research framework and methods of towns and villages system for forming an effective synergetic relationship between them, contributing to organize resources and stimulate endogenous motivation, and form counter magnets to join the urban-rural integration.

Keywords: towns and villages system, organization structure, county area, fractal theory, gravity model

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Authors: K. Mondal, S. Talapatra, M. Terrones, S. Pokhrel, C. Frizzel, B. Sumpter, V. Meunier, A. L. Elias

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Worldwide energy independence is reliant on the ability to leverage locally available resources for fuel production. Recently, syngas produced through gasification of carbonaceous materials provided a gateway to a host of processes for the production of various chemicals including transportation fuels. The basis of the production of gasoline and diesel-like fuels is the Fischer Tropsch Synthesis (FTS) process: A catalyzed chemical reaction that converts a mixture of carbon monoxide (CO) and hydrogen (H₂) into long chain hydrocarbons. Until now, it has been argued that only transition metal catalysts (usually Co or Fe) are active toward the CO hydrogenation and subsequent chain growth in the presence of hydrogen. In this paper, we demonstrate that carbon nanotube (CNT) surfaces are also capable of hydro-deoxygenating CO and producing long chain hydrocarbons similar to that obtained through the FTS but with orders of magnitude higher conversion efficiencies than the present state-of-the-art FTS catalysts. We have used advanced experimental tools such as XPS and microscopy techniques to characterize CNTs and identify C-O functional groups as the active sites for the enhanced catalytic activity. Furthermore, we have conducted quantum Density Functional Theory (DFT) calculations to confirm that C-O groups (inherent on CNT surfaces) could indeed be catalytically active towards reduction of CO with H₂, and capable of sustaining chain growth. The DFT calculations have shown that the kinetically and thermodynamically feasible route for CO insertion and hydro-deoxygenation are different from that on transition metal catalysts. Experiments on a continuous flow tubular reactor with various nearly metal-free CNTs have been carried out and the products have been analyzed. CNTs functionalized by various methods were evaluated under different conditions. Reactor tests revealed that the hydrogen pre-treatment reduced the activity of the catalysts to negligible levels. Without the pretreatment, the activity for CO conversion as found to be 7 µmol CO/g CNT/s. The O-functionalized samples showed very activities greater than 85 µmol CO/g CNT/s with nearly 100% conversion. Analyses show that CO hydro-deoxygenation occurred at the C-O/O-H functional groups. It was found that while the products were similar to FT products, differences in selectivities were observed which, in turn, was a result of a different catalytic mechanism. These findings now open a new paradigm for CNT-based hydrogenation catalysts and constitute a defining point for obtaining clean, earth abundant, alternative fuels through the use of efficient and renewable catalyst.

Keywords: CNT, CO Hydrodeoxygenation, DFT, liquid fuels, XPS, XTL

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Authors: A. F. Jaber, E. Dean, M. Liu, J. He, D. Sabata, J. Radel

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Background: Stroke is a serious health care concern and a major cause of disability in the United States. This condition impacts the individual’s functional ability to perform daily activities. Predicting functional performance of people with stroke assists health care professionals in optimizing the delivery of health services to the affected individuals. The purpose of this study was to identify significant predictors of Motor FIM and of Cognitive FIM subscores among individuals with stroke after discharge from inpatient rehabilitation (typically 4-6 weeks after stroke onset). A second purpose is to explore the relation among personal characteristics, health status, and functional performance of daily activities within 2 weeks of stroke onset. Methods: This study used a retrospective chart review to conduct a secondary analysis of data obtained from the Healthcare Enterprise Repository for Ontological Narration (HERON) database. The HERON database integrates de-identified clinical data from seven different regional sources including hospital electronic medical record systems of the University of Kansas Health System. The initial HERON data extract encompassed 1192 records and the final sample consisted of 207 participants who were mostly white (74%) males (55%) with a diagnosis of ischemic stroke (77%). The outcome measures collected from HERON included performance scores on the National Institute of Health Stroke Scale (NIHSS), the Glasgow Coma Scale (GCS), and the Functional Independence Measure (FIM). The data analysis plan included descriptive statistics, Pearson correlation analysis, and Stepwise regression analysis. Results: significant predictors of discharge Motor FIM subscores included age, baseline Motor FIM subscores, discharge NIHSS scores, and comorbid electrolyte disorder (R2 = 0.57, p <0.026). Significant predictors of discharge Cognitive FIM subscores were age, baseline cognitive FIM subscores, client cooperative behavior, comorbid obesity, and the total number of comorbidities (R2 = 0.67, p <0.020). Functional performance on admission was significantly associated with age (p < 0.01), stroke severity (p < 0.01), and length of hospital stay (p < 0.05). Conclusions: our findings show that younger age, good motor and cognitive abilities on admission, mild stroke severity, fewer comorbidities, and positive client attitude all predict favorable functional outcomes after inpatient stroke rehabilitation. This study provides health care professionals with evidence to evaluate predictors of favorable functional outcomes early at stroke rehabilitation, to tailor individualized interventions based on their client’s anticipated prognosis, and to educate clients about the benefits of making lifestyle changes to improve their anticipated rate of functional recovery.

Keywords: functional performance, predictors, stroke, recovery

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Authors: C. Nakib, N. Ammouchi, A. Otmani, A. Djekoun, J. M. Grenèche

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B2-structured FeAl was synthesized by an abrupt reaction during mechanical alloying (MA) of the elemental powders of Fe, Al and Ni. The structural, microstructural and morphological changes occurring in the studied material during MA were investigated by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Two crystalline phases were found, the major one corresponding to FeAl bcc phase with a crystallite size less than 10 nm, a lattice strain up to 1.6% and a dislocation density of about 2.3 1016m-2. The other phase in low proportion was corresponding to Fe (Al,Ni) solid solution. SEM images showed an irregular morphology of powder particles.

Keywords: mechanical alloying, ternary composition, dislocation density, structural properties

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Authors: X. Han, S. Duan, C. Liu, C. Zhou, W. Zhu, L. Kong

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The ionic imprinting technique refers to the three-dimensional rigid structure with the fixed pore sizes, which was formed by the binding interactions of ions and functional monomers and used ions as the template, it has a high level of recognition to the ionic template. The preparation of monolithic column by the in-situ polymerization need to put the compound of template, functional monomers, cross-linking agent and initiating agent into the solution, dissolve it and inject to the column tube, and then the compound will have a polymerization reaction at a certain temperature, after the synthetic reaction, we washed out the unread template and solution. The monolithic columns are easy to prepare, low consumption and cost-effective with fast mass transfer, besides, they have many chemical functions. But the monolithic columns have some problems in the practical application, such as low-efficiency, quantitative analysis cannot be performed accurately because of the peak shape is wide and has tailing phenomena; the choice of polymerization systems is limited and the lack of theoretical foundations. Thus the optimization of components and preparation methods is an important research direction. During the preparation of ionic imprinted monolithic columns, pore-forming agent can make the polymer generate the porous structure, which can influence the physical properties of polymer, what’ s more, it can directly decide the stability and selectivity of polymerization reaction. The compounds generated in the pre-polymerization reaction could directly decide the identification and screening capabilities of imprinted polymer; thus the choice of pore-forming agent is quite critical in the preparation of imprinted monolithic columns. This article mainly focuses on the research that when using different pore-forming agents, the impact of zinc ion imprinted monolithic column on the enrichment performance of zinc ion.

Keywords: high performance liquid chromatography (HPLC), ionic imprinting, monolithic column, pore-forming agent

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Authors: Sandeep Kumar, Naveen Gupta

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The propagation of the Non-Gaussian laser beam results in strong self-focusing as compare to the Gaussian laser beam, which helps to achieve a prerequisite of the plasma-based electron, Terahertz generation, and higher harmonic generations. The theoretical investigation on the evolution of non-Gaussian laser beam through the collisional plasma with ramped density has been presented. The non-uniform irradiance over the cross-section of the laser beam results in redistribution of the carriers that modifies the optical response of the plasma in such a way that the plasma behaves like a converging lens to the laser beam. The formulation is based on finding a semi-analytical solution of the nonlinear Schrodinger wave equation (NLSE) with the help of variational theory. It has been observed that the decentred parameter ‘q’ of laser and wavenumber of ripples of medium contribute to providing the required conditions for the improvement of self-focusing.

Keywords: non-Gaussian beam, collisional plasma, variational theory, self-focusing

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Authors: Gabriela D. Silva, Rodrigo L. O. R. Cunha, Mauricio D. Coutinho-Neto

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In the last four decades the biological activities of selenium compounds has received great attention, particularly for hypervalent derivates from selenium (IV) used as enzyme inhibitors. The unregulated activity of cysteine proteases are related to the development of several pathologies, such as neurological disorders, cardiovascular diseases, obesity, rheumatoid arthritis, cancer and parasitic infections. These enzymes are therefore a valuable target for designing new small molecule inhibitors such as selenuranes. Even tough there has been advances in the synthesis and design of new selenuranes based inhibitors, little is known about their mechanism of action. It is a given that inhibition occurs through the reaction between the thiol group of the enzyme and the chalcogen atom. However, several open questions remain about the nature of the mechanism (associative vs. dissociative) and about the nature of the reactive species in solution under physiological conditions. In this work we performed a theoretical investigation on model systems to study the possible routes of substitution reactions. Nucleophiles may be present in biological systems, our interest is centered in the thiol groups from the cysteine proteases and the hydroxyls from the aqueous environment. We therefore expect this study to clarify the possibility of a route reaction in two stages, the first consisting of the substitution of chloro atoms by hydroxyl groups and then replacing these hydroxyl groups per thiol groups in selenuranes. The structures of selenuranes and nucleophiles were optimized using density function theory along the B3LYP functional and a 6-311+G(d) basis set. Solvent was treated using the IEFPCM method as implemented in the Gaussian 09 code. Our results indicate that hydrolysis from water react preferably with selenuranes, and then, they are replaced by the thiol group. It show the energy values of -106,0730423 kcal/mol for dople substituition by hydroxyl group and 96,63078511 kcal/mol for thiol group. The solvatation and pH reduction promotes this route, increasing the energy value for reaction with hydroxil group to -50,75637672 kcal/mol and decreasing the energy value for thiol to 7,917767189 kcal/mol. Alternative ways were analyzed for monosubstitution (considering the competition between Cl, OH and SH groups) and they suggest the same route. Similar results were obtained for aliphatic and aromatic selenuranes studied.

Keywords: chalcogenes, computational study, cysteine proteases, enzyme inhibitors

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Authors: Ming-Wei Wu, Yu-Jin Tsai, Ching-Huai Chang

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Liquid phase sintering (LPS) is a versatile technique for achieving effective densification of powder metallurgy (PM) steels and other materials. The aim of this study was to examine the influences of 0.6 wt% boron on the microstructure and LPS behavior of boron-alloyed 410 martensitic stainless steel. The results showed that adding 0.6 wt% boron can obviously promote the LPS due to a eutectic reaction and increase the sintered density of 410 stainless steel. The density was much increased by 1.06 g/cm³ after 1225ºC sintering. Increasing the sintering temperature from 1225ºC to 1275ºC did not obviously improve the sintered density. After sintering at 1225ºC~1275ºC, the matrix was fully martensitic, and intragranular borides were extensively found due to the solidification of eutectic liquid. The microstructure after LPS consisted of the martensitic matrix and (Fe, Cr)2B boride, as identified by electron backscatter diffraction (EBSD) and electron probe micro-analysis (EPMA).

Keywords: powder metallurgy, liquid phase sintering, stainless steel, martensite, boron, microstructure

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Authors: Shatha Khuzaee

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The study develops multimodal stylistic approach to analyse a number of BBC online news articles reporting some key events from the so called ‘Arab Uprisings’. Critical stylistics (CS) and visual grammar (VG) provide insightful arguments to the ways ideology is projected through different verbal and visual modes, yet they are mode specific because they examine how each mode projects its meaning separately and do not attempt to clarify what happens intersemiotically when the two modes co-occur. Therefore, it is the task undertaken in this research to propose multimodal stylistic approach that addresses the issue of ideology construction when the two modes co-occur. Informed by functional grammar and social semiotics, the analysis attempts to integrate three linguistic models developed in critical stylistics, namely, transitivity choices, prioritizing and hypothesizing along with their visual equivalents adopted from visual grammar to investigate the way ideology is constructed, in multimodal text, when text/image participate and interrelate in the process of meaning making on the textual level of analysis. The analysis provides comprehensive theoretical and analytical elaborations on the different points of integration between CS linguistic models and VG equivalents which operate on the textual level of analysis to better account for ideology construction in news as non-literary multimodal texts. It is argued that the analysis well thought out a plan that would remark the first step towards the integration between the well-established linguistic models of critical stylistics and that of visual analysis to analyse multimodal texts on the textual level. Both approaches are compatible to produce multimodal stylistic approach because they intend to analyse text and image depending on whatever textual evidence is available. This supports the analysis maintain the rigor and replicability needed for a stylistic analysis like the one undertaken in this study.

Keywords: multimodality, stylistics, visual grammar, social semiotics, functional grammar

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Authors: R. Dangtungee, A. Rattanapan, S. Siengchin

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Waste silicon carbide (waste SiC) filled high-density polyethylene (HDPE) with and without surface modifiers were studied. Two types of surface modifiers namely; high-density polyethylene-grafted-maleic anhydride (HDPE-g-MA) and 3-aminopropyltriethoxysilane have been used in this study. The composites were produced using a two roll mill, extruder and shaped in a hydraulic compression molding machine. The mechanical properties of polymer composites such as flexural strength and modulus, impact strength, tensile strength, stiffness and hardness were investigated over a range of compositions. It was found that, flexural strength and modulus, tensile modulus and hardness increased, whereas impact strength and tensile strength decreased with the increasing in filler contents, compared to the neat HDPE. At similar filler content, the effect of both surface modifiers increased flexural modulus, impact strength, tensile strength and stiffness but reduced the flexural strength. Morphological investigation using SEM revealed that the improvement in mechanical properties was due to enhancement of the interfacial adhesion between waste SiC and HDPE.

Keywords: high-density polyethylene, HDPE-g-MA, mechanical properties, morphological properties, silicon carbide, waste silicon carbide

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Authors: Mahdi Golriz

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The aim of this work is to estimate the change in molecular structure of linear low-density polyethylene (LLDPE) during peroxide modification can be detected by a simple rheological method. For this purpose a commercial grade LLDPE (Exxon MobileTM LL4004EL) was reacted with different doses of dicumyl peroxide (DCP). The samples were analyzed by size-exclusion chromatography coupled with a light scattering detector. The dynamic shear oscillatory measurements showed a deviation of the δ-׀G ׀٭curve from that of the linear LLDPE, which can be attributed to the presence of long-chain branching (LCB). By the use of a simple rheological method that utilizes melt rheology, transformations in molecular architecture induced on an originally linear low density polyethylene during the early stages of reactive modification were indicated. Reasonable and consistent estimates are obtained, concerning the degree of LCB, the volume fraction of the various molecular species produced in peroxide modification of LLDPE.

Keywords: linear low-density polyethylene, peroxide modification, long-chain branching, rheological method

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Authors: Mohammed Moustafa, Khaled Ayad, Waleed Reda

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Shoulder impingement syndrome is the most common disorder of the shoulder, resulting in functional loss and disability. Objective: This study was designed to compare between the effects of scapular muscle training versus rhythmic stabilization exercises in treatment of shoulder impingement syndrome. Methods: Thirty patients participated in this study; they were assigned randomly into two experimental groups. The first experimental group (A) consisted of 15 patients with a mean age (21.87±2.72) years; they received graduated rhythmic stabilization exercises and stretching of the posterior capsule. The second experimental group (B) consisted of 15 patients with a mean age (22.27±2.94) years; they received scapular muscle training exercises in addition to stretching of the posterior capsule. Treatment was given three times per week, every other day, for four consecutive weeks. Patients have been evaluated pretreatment and post treatment for shoulder pain severity and functional disability. Results: Both groups showed highly statistical significant reduction in pain severity and functional disability measured post-treatment when compared with their corresponding values in pretreatment assessment. Conclusion: Both of rhythmic stabilization exercises and scapular muscle training are effective interventions to reduce shoulder pain severity and functional disability.

Keywords: impingement syndrome, scapular exercises, rhythmic stabilization exercises, posterior capsule stretch

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Authors: Sari Aouatef, Larabi Amina

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First-principles calculations within density functional theory based are used to investigate the influence of doped rare earth elements on some properties of perovskite systems Dy₀.₀₆₂₅Y₀.₉₃₇₅FeO₃ and Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃. The electronic and magnetic properties are studied by means of the full-potential linearized augmented plane wave method with Vasp code. The calculated densities of states presented in this work identify the semiconducting behavior for Dy₀.₁₂₅ Y₀.₈₇₅ FeO₃, and the semi-metallic behavior for Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃. Besides, to investigate magnetic properties of several compounds, four magnetic configurations are considered (ferromagnetic (FM), antiferromagnetic type A (A-AFM), antiferromagnetic type C (C-AFM) and antiferromagnetic type G (G-AFM). By doping the Dy element, the system shows different changes in the magnetic order and electronic structure. It is found that Dy₀.₀₆₂₅Y₀.₉₃₇₅ FeO₃ exhibits the strongest magnetic change corresponding to the transition to the ferromagnetic order with the largest magnetic moment of 4.997.

Keywords: DFT, Perovskites, multiferroic, magnetic properties

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Authors: G. Mazor, I. Ladizhensky, A. Shapiro, D. Nemirovsky

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A lot of researches was dedicated to the evaluation of the efficiency of the uniform constant and temporary coatings enhancing a heat transfer rate. Our goal is an investigation of the sand coatings distributed by both uniform and non-uniform forms. The sand of different sizes (0.2-0.4-0.6 mm) was attached to a copper ball (30 mm diameter) surface by means of PVA adhesive as a uniform layer. At the next stage, sand spots were distributed over the ball surface with an areal density that ranges between one spot per 1.18 cm² (for low-density spots) and one spot per 0.51 cm² (for high-density spots). The spot's diameter value varied from 3 to 6.5 mm and height from 0.5 to 1.5 mm. All coatings serve as a heat transfer enhancer during the quenching in liquid nitrogen. Highest heat flux densities, achieved during quenching, lie in the range 10.8-20.2 W/cm², depending on the sand layer structure. Application of the enhancing coating increases an amount of heat, evacuated by highly effective nucleate and transition boiling, by a factor of 4.5 as compared to the bare sample. The non-uniform sand coatings were increasing the heat transfer rate value under all pool boiling conditions: nucleate boiling, transfer boiling and the most severe film boiling. A combination of uniform sand coating together with high-density sand spots increased the average heat transfer rate by a factor of 3.

Keywords: heat transfer enhancement, nucleate boiling, film boiling, transfer boiling

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Authors: Irena Baranowska-Bosiacka, Mateusz Bosiacki, Patrycja Kupnicka, Anna Lubkowska, Dariusz Chlubek

Abstract:

Physical activity and a balanced diet are among the key factors of "healthy ageing". Physical effort, including swimming in cold water (including bathing in natural water reservoirs), is widely recognized as a hardening factor, with a positive effect on the mental and physical health. At the same time, there is little scientific evidence to verify this hypothesis. In the literature to date, it is possible to obtain data on the impact of these factors on selected physiological and biochemical parameters of the blood, at the same time there are no results of research on the effect of immersing in cold water on mineral metabolism, especially bones, hence it seems important to perform such an analysis in relation to the key elements such as calcium (Ca), magnesium (Mg) and phosphorus (P). Taking the above into account, a hypothesis was put forward about the possibility of a positive effect of exercise in cold water on mineral metabolism and bone density in aging rats. The aim of the study was to evaluate the effect of an 8-week swimming training on mineral metabolism and bone density in aging rats in response to exercise in cold water (5oC) in comparison to swimming in thermal comfort (36oC) and sedentary (control) rats of both sexes. The examination of the concentration of the examined elements in the bones was carried out using inductively coupled plasma atomic emission spectrometry (ICP-OES). The mineral density of the femurs of the rats was measured using the Hologic Horizon DEXA System® densitometer. The results of our study showed that swimming in cold water affects bone mineral metabolism in aging rats by changing the Ca, Mg, P concentration and at the same time increasing their bone density. In males, a decrease in Mg concentration and no changes in bone density were observed. In the light of the research results, it seems that swimming in cold water may be a factor that positively modifies the bone aging process by improving the mechanisms affecting their density.

Keywords: swimming in cold water, adaptation to cold water, bone mineral metabolism, aging

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Authors: Shangerganesh Lingeshwaran

Abstract:

In this presentation, we have performed numerical simulations for a reaction-diffusion equation with various nonlinear density-dependent diffusion operators and proliferation functions. The mathematical model represented by parabolic partial differential equation is considered to study the invasion of gliomas (the most common type of brain tumors) and to describe the growth of cancer cells and response to their treatment. The unknown quantity of the given reaction-diffusion equation is the density of cancer cells and the mathematical model based on the proliferation and migration of glioma cells. A standard Galerkin finite element method is used to perform the numerical simulations of the given model. Finally, important observations on the each of nonlinear diffusion functions and proliferation functions are presented with the help of computational results.

Keywords: glioma invasion, nonlinear diffusion, reaction-diffusion, finite eleament method

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Authors: Younmin Shin, Jin Kyu Kim, Mirim Jin, Jeong June Choi

Abstract:

Demilitarized Zone (DMZ) is a peace region located between South and North Korea border to avoid accidental armed conflict. Because human accessing to the area was forced to be prohibited for more than 60 years, DMZ is one of the cleanest land keeping wild lives as nature itself in South Korea. In this study, we evaluated the biological efficacies of plants (SS, PC, and AR) inhabiting in DMZ for the development of functional cosmetics. First, we tested the cytotoxicity of plant extracts in keratinocyte and melanocyte, which are the major cell components of skin. By 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay with the cell lines, we determined the safety concentrations of the extracts for the efficacy tests. Next, we assessed the anti-wrinkle cosmetic function of SS by demonstrating that SS treatment decreased the expression of Matrix metalloproteinase-1 (MMP-1) in UV-irradiated keratinocytes via real-time PCR. The suppressive effect of SS was greatly potentiated by combination with other DMZ-inhabiting plants, PC and AR. The expression of tyrosinase, which is one the main enzyme that producing melanin in melanocyte, was also down-regulated by the DMZ-inhabiting SS extract. Wound healing activity was also investigated by in vitro test with HaCat cell line, a human fibroblast cell line. All the natural materials extracted form DMZ habiting plants accelerated the recovery of the cells. These results suggested that DMZ is a treasure island of functional plants and DMZ-inhabiting natural products are warranted to develop functional cosmetic materials. This study was carried out with the support of R&D Program for Forest Science Technology (Project No. 2017027A00-1819-BA01) provided by Korea Forest Service (Korea Forestry Promotion Institute).

Keywords: anti-wrinkle, Demilitarized Zone, functional cosmetics, whitening

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Authors: Ihsan Al-Abboodi, Tahsin Toma-Sabbagh

Abstract:

Laboratory tests have been carried out to investigate the response of 2x2 pile group subjected to triangular soil movement. The pile group was instrumented with displacement and tilting devices at the pile cap and strain gauges on two piles of the group. In this paper, results from four model tests were presented to study the effects of axial loads and soil density on the lateral behavior of piles. The responses in terms of bending moment, shear force, soil pressure, deflection, and rotation of piles were compared. Test results indicate that increasing the soil strength could increase the measured moment, shear, soil pressure, and pile deformations. Most importantly, adding loads to the pile cap induces additional moment to the head of front-pile row unlike the back-pile row which was influenced insignificantly.

Keywords: pile group, passive piles, lateral soil movement, soil density, axial loads

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Authors: Kuang-Chi Pan, Shu-Jen Tuan

Abstract:

Scolothrips takahashii Priesner (Thysanoptera: Thripidae) is a common predatory thrips which feeds on spider mites; it is considered an important natural enemy and a potential biological control agent against spider mites. In order to evaluate the efficacy of S. takahashii against tetranychid mites, life table and functional response study were conducted at 25±1°C, with Tetranychus urticae Priesner as prey. The intrinsic rate of increase (r), finite rate of increase (λ), net reproduction rate (R₀), mean generation time (T) were 0.1674 d⁻¹, 1.1822d⁻¹, 62.26 offspring/individual, and 24.68d. The net consumption rate (C₀) was 846.15, mean daily consumption rate was 51.92 eggs for females and 19.28 eggs for males. S. takahashii exhibited type III functional response when offered T. urticae deutonymphs. Based on the random predator equation, the estimated maximum attack rate (a) and handling time (Th) were 0.1376h⁻¹ and 0.7883h. In addition, a life table experiment was conducted to evaluate the offspring sex allocation and population dynamic of Tetranychus ludeni Zacher under group-rearing conditions with different sex ratios. All bisexual groups produced offspring with similar sex allocation patterns, which started with the majority of females, then transited during the middle of the oviposition period and turned male-biased at the end of the oviposition period.

Keywords: Scolothrips takahashii, Tetranychus urticae, Tetranychus ludeni, two-sex life table, functional response, sex allocation

Procedia PDF Downloads 92

Authors: Sira Suren, Soorathep Kheawhom

Abstract:

This work investigates the development of a high energy density zinc-air battery. Printed and flexible thin film zinc-air battery with an overall thickness of about 350 μm was fabricated by an inexpensive screen-printing technique. Commercial nano-silver ink was used as both current collectors and catalyst layer. Carbon black ink was used to fabricate cathode electrode. Polypropylene membrane was used as the cathode substrate and separator. 9 M KOH was used as the electrolyte. A mixture of Zn powder, ZnO, and Bi2O3 was used to prepare the anode electrode. The suitable concentration of Bi2O3 and types of binders (styrene-butadiene and sodium silicate) were investigated. Results showed that battery using 20% Bi2O3 and sodium silicate binder provided the best performance. The open-circuit voltage and energy density observed were 1.59 V and 690 Wh/kg, respectively. When the battery was discharged at 20 mA/cm2, the potential voltage observed was 1.3 V. Furthermore, the battery was tested for its flexibility. Upon bending, no significant loss in performance was observed.

Keywords: flexible, printed battery, screen printing, Zn-air

Procedia PDF Downloads 278

Authors: Ameur Soukaina, Zeroual Abdellah, Mazoir Noureddine

Abstract:

Molecular Electron Density Theory (MEDT) elucidates the regioselectivity of the [4+2] cycloaddition reaction between 3-aroylpyrrolo[1,2-α]quinoxaline-1,2,4(5H)-trione and butyl vinyl ether Regioselectivity and stereoselectivity. The regioselectivity mechanisms of these reactions were investigated by evaluating potential energy surfaces calculated for cycloaddition processes and DFT density-based reactivity indices. These methods have been successfully applied to predict preferred regioisomers for different method alternatives. Reactions were monitored by performing transition state optimizations, calculations of intrinsic reaction coordinates, and activation energies. The observed regioselectivity was rationalized using DFT-based reactivity descriptors such as the Parr function. Solvent effects were also investigated in 1,4-dioxane solvent using a field model for self-consistent reactions. The results were compared with experimental data to find good agreement.

Keywords: cycloaddition, DFT, ELF, MEDT, parr, stereoselectivité

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Authors: Nuseiba M. Altarawneh, Suhuai Luo, Brian Regan, Guijin Tang

Abstract:

Liver segmentation from medical images poses more challenges than analogous segmentations of other organs. This contribution introduces a liver segmentation method from a series of computer tomography images. Overall, we present a novel method for segmenting liver by coupling density matching with shape priors. Density matching signifies a tracking method which operates via maximizing the Bhattacharyya similarity measure between the photometric distribution from an estimated image region and a model photometric distribution. Density matching controls the direction of the evolution process and slows down the evolving contour in regions with weak edges. The shape prior improves the robustness of density matching and discourages the evolving contour from exceeding liver’s boundaries at regions with weak boundaries. The model is implemented using a modified distance regularized level set (DRLS) model. The experimental results show that the method achieves a satisfactory result. By comparing with the original DRLS model, it is evident that the proposed model herein is more effective in addressing the over segmentation problem. Finally, we gauge our performance of our model against matrices comprising of accuracy, sensitivity and specificity.

Keywords: Bhattacharyya distance, distance regularized level set (DRLS) model, liver segmentation, level set method

Procedia PDF Downloads 314