Search results for: applied chemistry

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

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Authors: G. N. Srinivas, K. Raju

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This paper presents Markov processes for determining the reliability indices of distribution system. The continuous Markov modeling is applied to a complex radial distribution system and electrical equivalent circuits are developed for the modeling. In general PSPICE is being used for electrical and electronic circuits and various applications of power system like fault analysis, transient analysis etc. In this paper, the SPICE modeling equivalent circuits which are developed are applied in a novel way to Distribution System reliability analysis. These circuits are simulated using PSPICE software to obtain the state probabilities, the basic and performance indices. Thus the basic indices and the performance indices obtained by this method are compared with those obtained by FMEA technique. The application of the concepts presented in this paper are illustrated and analyzed for IEEE-Roy Billinton Test System (RBTS).

Keywords: distribution system, Markov Model, reliability indices, spice simulation

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Authors: Saad Bakkali

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Morocco is a major producer of phosphate, with an annual output of 19 million tons and reserves in excess of 35 billion cubic meters. This represents more than 75% of world reserves. Resistivity surveys have been successfully used in the Oulad Abdoun phosphate basin. A Schlumberger resistivity survey over an area of 50 hectares was carried out. A new field procedure based on analytic signal response of resistivity data was tested to deal with the presence of phosphate deposit disturbances. A resistivity map was expected to allow the electrical resistivity signal to be imaged in 2D. 2D wavelet is standard tool in the interpretation of geophysical potential field data. Wavelet transform is particularly suitable in denoising, filtering and analyzing geophysical data singularities. Wavelet transform tools are applied to analysis of a moroccan phosphate deposit ‘disturbances’. Wavelet approach applied to modeling surface phosphate “disturbances” was found to be consistently useful.

Keywords: resistivity, Schlumberger, phosphate, wavelet, Morocco

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Authors: M. Timoracká, A. Vollmannová., D.S. Ismael, J. Musilová

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We investigated the effect of targeted contaminated soil by Zn model conditions. The soil used in the pot trial was uncontaminated. Faba beans (cvs Saturn, Zobor) were harvested in milk ripeness. With increased doses applied into the soil the strong statistical relationship between soil Zn content and Zn amount in seeds of both of faba bean cultivars was confirmed. Despite the high Zn doses applied into the soil in model conditions, in all variants the determined Zn amount in faba bean cv. Saturn was just below the maximal allowed content in foodstuffs given by the legislative. In cv. Zobor the determined Zn content was higher than maximal allowed amount (by 2% and 12%, respectively). Faba bean cvs. Saturn and Zobor accumulated (in all variants higher than hygienic limits) high amounts of Pb and Cd. The contents of all other heavy metals were lower than hygienic limits. With increased Zn doses applied into the soil the total polyphenols contents as well as the total antioxidant capacity determined in seeds of both cultivars Saturn and Zobor were increased. The strong statistical relationship between soil Zn content and the total polyphenols contents as well as the total antioxidant capacity in seeds of faba bean cultivars was confirmed.

Keywords: antioxidant capacity, faba bean, polyphenols, zinc

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Authors: Birgit Reime, Sonja Gscheidle, Toni Hübener, Lara Hübener

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Suicide in individuals under 30 years is a global public health concern. The objective of this study was to identify strategies for the prevention of suicide and suicidal behavior preferred by adolescents and young adults who are vulnerable to suicidal behavior and by relevant experts. Using semi-structured interviews with n= 17 adolescents and young adults (18-25 years of age) and with n= 11 experts from relevant fields, we have applied an inductive approach and applied thematic content analysis. Six strategies for suicide prevention in young individuals were reported. These were digital solutions with appealing designs, anonymous support, trained peer support, spiritual support, improving existing structures, and raising suicide literacy. Accessibility of anonymous digital support may contribute to suicide prevention in young people.

Keywords: suicide prevention, adolescents, E-health, Germany

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Authors: Raphael de Oliveira Garcia, Samuel Rocha de Oliveira

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We have developed a new computer program in Fortran 90, in order to obtain numerical solutions of a system of Relativistic Magnetohydrodynamics partial differential equations with predetermined gravitation (GRMHD), capable of simulating the formation of relativistic jets from the accretion disk of matter up to his ejection. Initially we carried out a study on numerical methods of unidimensional Finite Volume, namely Lax-Friedrichs, Lax-Wendroff, Nessyahu-Tadmor method and Godunov methods dependent on Riemann problems, applied to equations Euler in order to verify their main features and make comparisons among those methods. It was then implemented the method of Finite Volume Centered of Nessyahu-Tadmor, a numerical schemes that has a formulation free and without dimensional separation of Riemann problem solvers, even in two or more spatial dimensions, at this point, already applied in equations GRMHD. Finally, the Nessyahu-Tadmor method was possible to obtain stable numerical solutions - without spurious oscillations or excessive dissipation - from the magnetized accretion disk process in rotation with respect to a central black hole (BH) Schwarzschild and immersed in a magnetosphere, for the ejection of matter in the form of jet over a distance of fourteen times the radius of the BH, a record in terms of astrophysical simulation of this kind. Also in our simulations, we managed to get substructures jets. A great advantage obtained was that, with the our code, we got simulate GRMHD equations in a simple personal computer.

Keywords: finite volume methods, central schemes, fortran 90, relativistic astrophysics, jet

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Authors: Li Chen, Alex Skvortsov, Chris Norwood

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Gas releasing into water can be found in for many industrial situations. This process results in the formation of bubbles and acoustic emission which depends upon the bubble characteristics. If the bubble creation rates (bubble volume flow rate) are of interest, an inverse method has to be used based on the measurement of acoustic emission. However, there will be sound attenuation through the bubbly plume which will influence the measurement and should be taken into consideration in the model. The sound transmission through the bubbly plume depends on the characteristics of the bubbly plume, such as the shape and the bubble distributions. In this study, the bubbly plume shape is modelled using a self-similarity model, which has been normally applied for a single phase buoyant plume. The prediction is compared with the experimental data. It has been found the model can be applied to a buoyant plume of gas-liquid mixture. The influence of the gas flow rate and discharge nozzle size is studied.

Keywords: bubbly plume, buoyant plume, bubble acoustics, self-similarity model

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Authors: Kornelius Ronald Demu, Dewi Retno Sari Saputro, Purnami Widyaningsih

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Human Development Index (HDI) is a standard measurement for a country's human development. Several factors may have influenced it, such as life expectancy, gross domestic product (GDP) based on the province's annual expenditure, the number of poor people, and the percentage of an illiterate people. The scatter plot between HDI and the influenced factors show that the plot does not follow a specific pattern or form. Therefore, the HDI's data in Indonesia can be applied with a nonparametric regression model. The estimation of the regression curve in the nonparametric regression model is flexible because it follows the shape of the data pattern. One of the nonparametric regression's method is a truncated spline. Truncated spline regression is one of the nonparametric approach, which is a modification of the segmented polynomial functions. The estimator of a truncated spline regression model was affected by the selection of the optimal knots point. Knot points is a focus point of spline truncated functions. The optimal knots point was determined by the minimum value of generalized cross validation (GCV). In this article were applied the data of Human Development Index with a truncated spline nonparametric regression model. The results of this research were obtained the best-truncated spline regression model to the HDI's data in Indonesia with the combination of optimal knots point 5-5-5-4. Life expectancy and the percentage of an illiterate people were the significant factors depend to the HDI in Indonesia. The coefficient of determination is 94.54%. This means the regression model is good enough to applied on the data of HDI in Indonesia.

Keywords: generalized cross validation (GCV), Human Development Index (HDI), knots point, nonparametric regression, truncated spline

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Authors: Colette Malyack, Pius Egbelu

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Business-to-Customer (B2C) delivery options have improved to meet increased demand in recent years. The change in end users has forced logistics networks to focus on customer service and sentiment that would have previously been the priority of the company or organization of origin. This has led to increased pressure on logistics companies to extend traditional B2B networks into a B2C solution while accommodating additional costs, roadblocks, and customer sentiment; the result has been the creation of the omnichannel delivery network encompassing a number of traditional and modern methods of package delivery. In this paper the many solutions within the omnichannel delivery network are defined and discussed. It can be seen through this analysis that the omnichannel delivery network can be applied to reduce the complexity of package delivery and provide customers with more options. Applied correctly the result is a reduction in cost to the logistics company over time, even with an initial increase in cost to obtain the technology.

Keywords: network planning, last mile delivery, omnichannel delivery network, omnichannel logistics

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Authors: Z. Jamalzadeh, A. Niaei, H. Erfannia, S. G. Hosseini, A. S. Razmgir

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Due to developing the industries, the emission of pollutants such as NOx, SOx, and CO2 are rapidly increased. Generally, NOx is attributed to the mono nitrogen oxides of NO and NO2 that is one of the most important atmospheric contaminants. Hence, controlling the emission of nitrogen oxides is urgent environmentally. Selective Catalytic Reduction of NOx is one of the most common techniques for NOx removal in which Zeolites have wide application due to their high performance. In zeolitic processes, the catalytic reaction occurs mostly in the pores. Therefore, investigation the adsorption phenomena of the molecules in order to gain an insight and understand the catalytic cycle is of important. Hence, in current study, molecular simulations is applied for studying the adsorption phenomena in nanocatalysts applied for SCR of NOx process. The effect of cation addition to the support in the catalysts’ behavior through adsorption step was explored by Mont Carlo (MC). Simulation time of 1 Ns accompanying 1 fs time step, COMPASS27 Force Field and the cut off radios of 12.5 Ȧ was applied for performed runs. It was observed that the adsorption capacity increases in the presence of cations. The sorption isotherms demonstrated the behavior of type I isotherm categories and sorption capacity diminished with increase in temperature whereas an increase was observed at high pressures. Besides, NO sorption showed higher sorption capacity than NH3 in H–ZSM5. In this respect, the Energy distributions signified that the molecules could adsorb in just one sorption site at the catalyst and the sorption energy of NO was stronger than the NH3 in H-ZSM5. Furthermore, the isosteric heat of sorption data showed nearly same values for the molecules; however, it indicated stronger interactions of NO molecules with H-ZSM5 Zeolite compared to the isosteric heat of NH3 which was low in value.

Keywords: Monte Carlo simulation, adsorption, NOx, ZSM5

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Authors: Desmond Young

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In building services electrical design, a key element of any project will be assessing the electrical load requirements. This needs to be done early in the design process to allow the selection of infrastructure that would be required to meet the electrical needs of the type of building. The type of building will define the type of assessment made, and the values applied in defining the maximum demand for the building, and ultimately the size of supply or infrastructure required, and the application that needs to be made to the distribution network operator, or alternatively to an independent network operator. The fact that this assessment needs to be undertaken early in the design process provides limits on the type of assessment that can be used, as different methods require different types of information, and sometimes this information is not available until the latter stages of a project. A common method applied in the earlier design stages of a project, typically during stages 1,2 & 3, is the use of benchmarks. It is a possibility that some of the benchmarks applied are excessive in relation to the current loads that exist in a modern installation. This lack of accuracy is based on information which does not correspond to the actual equipment loads that are used. This includes lighting and small power loads, where the use of more efficient equipment and lighting has reduced the maximum demand required. The electrical load can be used as part of the process to assess the heat generated from the equipment, with the heat gains from other sources, this feeds into the sizing of the infrastructure required to cool the building. Any overestimation of the loads would contribute to the increase in the design load for the heating and ventilation systems. Finally, with the new policies driving the industry to decarbonise buildings, a prime example being the recently introduced London Plan, loads are potentially going to increase. In addition, with the advent of the pandemic and changes to working practices, and the adoption of electric heating and vehicles, a better understanding of the loads that should be applied will aid in ensuring that infrastructure is not oversized, as a cost to the client, or undersized to the detriment of the building. In addition, more accurate benchmarks and methods will allow assessments to be made for the incorporation of energy storage and renewable technologies as these technologies become more common in buildings new or refurbished.

Keywords: energy, ADMD, electrical load assessment, energy benchmarks

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Authors: Hang Lo Lee, Ki Il Song, Hee Hwan Ryu

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An accurate prediction of TBM(Tunnel Boring Machine) performance is very difficult for reliable estimation of the construction period and cost in preconstruction stage. For this purpose, the aim of this study is to analyze the evaluation process of various prediction models published since 2000 for TBM performance, and to select the optimal input parameters for the prediction model. A classification system of TBM performance prediction model and applied methodology are proposed in this research. Input and output parameters applied for prediction models are also represented. Based on these results, a statistical analysis is performed using the collected data from shield TBM tunnel in South Korea. By performing a simple regression and residual analysis utilizinFg statistical program, R, the optimal input parameters are selected. These results are expected to be used for development of prediction model of TBM performance.

Keywords: TBM performance prediction model, classification system, simple regression analysis, residual analysis, optimal input parameters

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Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

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Authors: Gholamreza Koochaki

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This paper presents the buckling analysis of functionally graded beams with various boundary conditions. The first order shear deformation beam theory (Timoshenko beam theory) and the classical theory (Euler-Bernoulli beam theory) of Reddy have been applied to the functionally graded beams buckling analysis The material property gradient is assumed to be in thickness direction. The equilibrium and stability equations are derived using the total potential energy equations, classical theory and first order shear deformation theory assumption. The temperature difference and applied voltage are assumed to be constant. The critical buckling temperature of FG beams are upper than the isotropic ones. Also, the critical temperature is different for various boundary conditions.

Keywords: buckling, functionally graded beams, Hamilton's principle, Euler-Bernoulli beam

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Authors: Ahmed ElAzab, Amira M. Idrees, Mahmoud A. Mahmoud, Hesham Hefny

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Social networking sites such as Twitter and Facebook attracts over 500 million users across the world, for those users, their social life, even their practical life, has become interrelated. Their interaction with social networking has affected their life forever. Accordingly, social networking sites have become among the main channels that are responsible for vast dissemination of different kinds of information during real time events. This popularity in Social networking has led to different problems including the possibility of exposing incorrect information to their users through fake accounts which results to the spread of malicious content during life events. This situation can result to a huge damage in the real world to the society in general including citizens, business entities, and others. In this paper, we present a classification method for detecting fake accounts on Twitter. The study determines the minimized set of the main factors that influence the detection of the fake accounts on Twitter, then the determined factors have been applied using different classification techniques, a comparison of the results for these techniques has been performed and the most accurate algorithm is selected according to the accuracy of the results. The study has been compared with different recent research in the same area, this comparison has proved the accuracy of the proposed study. We claim that this study can be continuously applied on Twitter social network to automatically detect the fake accounts, moreover, the study can be applied on different Social network sites such as Facebook with minor changes according to the nature of the social network which are discussed in this paper.

Keywords: fake accounts detection, classification algorithms, twitter accounts analysis, features based techniques

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Authors: Satya Deo, Deepak Kumar Maurya

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The present study investigates the ow of a Newtonian fluid sandwiched between two rectangular porous channels filled with micropolar fluid in the presence of a uniform magnetic field applied in a direction perpendicular to that of the fluid motion. The governing equations of micropolar fluid are modified by Nowacki's approach. For respective porous channels, expressions for velocity vectors, microrotations, stresses (shear and couple) are obtained analytically. Continuity of velocities, continuities of micro rotations and continuity of stresses are used at the porous interfaces; conditions of no-slip and no spin are applied at the impervious boundaries of the composite channel. Numerical values of flow rate, wall shear stresses and couple stresses at the porous interfaces are calculated for different values of various parameters. Graphs of the ow rate and fluid velocity are plotted and their behaviors are discussed.

Keywords: couple stress, flow rate, Hartmann number, micropolar fluids

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Authors: Palwinder Singh, Munish Sandhir, Tejinder Singh

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The ordinary differential equations (ODE) represent a natural framework for mathematical modeling of many real-life situations in the field of engineering, control systems, physics, chemistry and astronomy etc. Such type of differential equations can be solved by analytical methods or by numerical methods. If the solution is calculated using analytical methods, it is done through calculus theories, and thus requires a longer time to solve. In this paper, we compare the numerical accuracy of the solutions given by the three main types of one-step initial value solvers: Taylor’s Series Method, Euler’s Method and Runge-Kutta Fourth Order Method (RK4). The comparison of accuracy is obtained through comparing the solutions of ordinary differential equation given by these three methods. Furthermore, to verify the accuracy; we compare these numerical solutions with the exact solutions.

Keywords: Ordinary differential equations (ODE), Taylor’s Series Method, Euler’s Method, Runge-Kutta Fourth Order Method

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Authors: Alireza Jalilifar, Nadia Mayahi

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An oral defense is the examination of a doctoral program in which the candidates display their academic capacity through sharing and disseminating the findings of their study and defending their position. In this challenging criticism-generating context, the examiners evaluate the PhD dissertation critically so as to confirm its scholarly merit or lack of it. To identify the examiners’ expectations of the viva, this study used a conversation analytic approach for analyzing the data. The research is inductive in that it seeks to develop theory that is grounded in the data. The data comprised transcripts of the question and answer section of two applied linguistics doctoral defense sessions from two accredited Iranian state universities in 2019, both of which are among the top Iranian universities on the list of Times Higher Education World University Rankings. In spite of the similar shortcomings and deficiencies, for instance, in terms of innovation, development, sampling, and treatment, raised by the examiners, one of these defenses passed with distinction while the other was referred for re-submission. It seems that the outcome of a viva, in an EFL context, not only depends on adherence to the rules and regulations of doctoral research but is also influenced to a certain extent by the strictness of the examiners and the candidates’ language proficiency and effective negotiation and communication skills in this confrontational communicative event. The findings of this study provide evidence for the issues determining the success or failure of PhD candidates in displaying their claims of scholarship during their defense sessions. This study has implications for both applied linguistics doctoral students and academics in EFL contexts who try to prove and authenticate the doctorateness of a dissertation.

Keywords: academic discourse, conversation analysis, doctoral defense, doctorateness, EFL

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Authors: Sema Şenoğlu, Sevgi Karakuş

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Hydrazone scaffold is important to design new drug groups and is found to possess numerous uses in pharmaceutical chemistry. Besides, hydrazone derivatives are also known for biological activities such as anticancer, antimicrobial, antiviral, and antifungal. Hydrazone derivatives are promising anticancer agents because they inhibit cancer proliferation and induce apoptosis. Human carbonic anhydrase IX has a high potential to be an antiproliferative drug target, and targeting this protein is also important for obtaining potential anticancer inhibitors. The protein construct was retrieved as a PDB file from the RCSB protein database. This binding interaction of proteins and ligands was performed using Discovery Studio Visualizer. In vitro inhibitory activity of hydrazone derivatives was tested against enzyme carbonic anhydrase IX on the PyRx programme. Most of these molecules showed remarkable human carbonic anhydrase IX inhibitory activity compared to the acetazolamide. As a result, these compounds appear to be a potential target in drug design against human carbonic anhydrase IX.

Keywords: cancer, carbonic anhydrase IX enzyme, docking, hydrazone

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Authors: Micke Didit, Xiwen Zhang, Weidong Zhu

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Slope stability is one of the most important subjects of geotechnics. The slope top-loading plays a key role in the stability of slopes in hill slope areas. Therefore, it is of great importance to study the relationship between the load and the stability of the slope. This study aims to analyze the influence of the building load applied on the top of the slope and deduces its effect on the slope stability. For this purpose, a three-dimensional slope model under different building loads with different distances to the slope shoulder was established using the finite-difference analysis software Flac3D. The results show that the loads applied at different distances on the top of the slope have different effects on the slope stability. The slope factor of safety (fos) increases with the increase of the distance between the top-loading and the slope shoulder, resulting in the decrease of the coincidence area between the load-deformation and the potential sliding surface. The slope is no longer affected by the potential risk of sliding at approximately 20 m away from the slope shoulder.

Keywords: building load, finite-difference analysis, FLAC3D software, slope factor of safety, slope stability

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Authors: Igor B. Sivaev

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Design of molecular machines is an extraordinary growing and very important area of research that it was recognized by awarding Sauvage, Stoddart and Feringa the Nobel Prize in Chemistry in 2016 'for the design and synthesis of molecular machines'. Based on the type of motion being performed, molecular machines can be divided into two main types: molecular motors and molecular switches. Molecular switches are molecules or supramolecular complexes having bistability, i.e., the ability to exist in two or more stable forms, among which may be reversible transitions under external influence (heating, lighting, changing the medium acidity, the action of chemicals, exposure to magnetic or electric field). Molecular switches are the main structural element of any molecular electronics devices. Therefore, the design and the study of molecules and supramolecular systems capable of performing mechanical movement is an important and urgent problem of modern chemistry. There is growing interest in molecular switches and other devices of molecular electronics based on transition metal complexes; therefore choice of suitable stable organometallic unit is of great importance. An example of such unit is bis(dicarbollide) complexes of transition metals [3,3’-M(1,2-C₂B₉H₁₁)₂]ⁿ⁻. The control on the ligand rotation in such complexes can be reached by introducing substituents which could provide stabilization of certain rotamers due to specific interactions between the ligands, on the one hand, and which can participate as Lewis bases in complex formation with external metals resulting in a change in the rotation angle of the ligands, on the other hand. A series of isomeric methyl sulfide derivatives of cobalt bis(dicarbollide) complexes containing methyl sulfide substituents at boron atoms in different positions of the pentagonal face of the dicarbollide ligands [8,8’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻, rac-[4,4’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ and meso-[4,7’-(MeS)₂-3,3’-Co(1,2-C₂B₉H₁₀)₂]⁻ were synthesized by the reaction of CoCl₂ with the corresponding methyl sulfide carborane derivatives [10-MeS-7,8-C₂B₉H₁₁)₂]⁻ and [10-MeS-7,8-C₂B₉H₁₁)₂]⁻. In the case of asymmetrically substituted cobalt bis(dicarbollide) complexes the corresponding rac- and meso-isomers were successfully separated by column chromatography as the tetrabutylammonium salts. The compounds obtained were studied by the methods of ¹H, ¹³C, and ¹¹B NMR spectroscopy, single crystal X-ray diffraction, cyclic voltammetry, controlled potential coulometry and quantum chemical calculations. It was found that in the solid state, the transoid- and gauche-conformations of the 8,8’- and 4,4’-isomers are stabilized by four intramolecular CH···S(Me)B hydrogen bonds each one (2.683-2.712 Å and 2.709-2.752 Å, respectively), whereas gauche-conformation of the 4,7’-isomer is stabilized by two intramolecular CH···S hydrogen bonds (2.699-2.711 Å). The existence of the intramolecular CH·S(Me)B hydrogen bonding in solutions was supported by the 1H NMR spectroscopy. These data are in a good agreement with results of the quantum chemical calculations. The corresponding iron and nickel complexes were synthesized as well. The reaction of the methyl sulfide derivatives of cobalt bis(dicarbollide) with various labile transition metal complexes results in rupture of intramolecular hydrogen bonds and complexation of the methyl sulfide groups with external metal. This results in stabilization of other rotational conformation of cobalt bis(dicarbollide) and can be used in design of molecular switches. This work was supported by the Russian Science Foundation (16-13-10331).

Keywords: molecular switches, NMR spectroscopy, single crystal X-ray diffraction, transition metal bis(dicarbollide) complexes, quantum chemical calculations

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Authors: C. S. Marques, M. J. Reis Lima, J. Oliveira, E. Teixeira-Lemos

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The growing concerns for physical wellbeing and health have been reflected in the way we choose food in our table. Nowadays, we are all more informed consumers and choose healthier foods. On the other hand, stroke, cancer and atherosclerosis may be somehow minimized by the intake of some bioactive compounds present in food, the so-called nutraceuticals and functional foods. The aim of this work was to make a revision of the published studies about the effects of some bioactive compounds, namely lycopene in human health, in the prevention of diseases, thus playing the role of a functional food. Free radical in human body can induce cell damage and consequently can be responsible for the development of some cancers and chronic diseases. Lycopene is one of the most powerful antioxidants known, being the predominant carotenoid in tomato. The respective chemistry, bioavailability, and its functional role in the prevention of several diseases will be object of this work. On the other hand the inclusion of lycopene in some foods can also be made by biotechnology and represents a way to recover the wastes in the tomato industry with nutritional positive effects in health.

Keywords: tomato, lycopene, bioavailability, functional foods, carotenoids, cancer and antioxidants

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Authors: G. Karakaya, C. Türker, M. Anaklı

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It is necessary to test to see if optical devices such as camera, night vision devices are working properly. Therefore, a precision biaxial rotary system (gimbal) is required for mounting Unit Under Test, UUT. The Gimbal systems can be utilized for precise positioning of the UUT; hence, optical test can be performed with high accuracy. The weight of UUT, which is placed outside the axis of rotation, causes an off-axis moment to the mounting armature. The off-axis moment can act against the direction of movement for some orientation, thus the electrical motor, which rotates the gimbal axis, has to apply higher level of torque to guide and stabilize the system. Moreover, UUT and its mounting fixture to the gimbal can be changed, which causes change in applied resistance moment to the gimbals electrical motor. In this study, a preloaded spring is added to the gimbal system for minimizing applied off axis moment with the help of four bar mechanism. Two different possible methods for preloading spring are introduced and system optimization is performed to eliminate all moment which is created by off axis weight.

Keywords: adaptive, balancing, gimbal, mechanics, spring

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Authors: Aurore Cauquis, Philippe Heinrich, Mario Ricchiuto, Audrey Gailler

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In this talk, we look for an accurate time scheme to model the propagation of waves. Several numerical schemes have been developed to solve the extended weakly nonlinear weakly dispersive Boussinesq Equations. The temporal schemes used are two Lax-Wendroff schemes, second or third order accurate, two Runge-Kutta schemes of second and third order and a simplified third order accurate Lax-Wendroff scheme. Spatial derivatives are evaluated with fourth order accuracy. The numerical model is applied to two monodimensional benchmarks on a flat bottom. It is also applied to the simulation of the Algerian tsunami generated by a Mw=6 seism on the 18th March 2021. The tsunami propagation was highly dispersive and propagated across the Mediterranean Sea. We study here the effects of the order of temporal discretization on the accuracy of the results and on the time of computation.

Keywords: numerical analysis, tsunami propagation, water wave, boussinesq equations

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Authors: Polina Prokopovich

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Despite the well-established dependence of cartilage mechanical properties on the frequency of the applied load, most research in the field is carried out in either load-free or constant load conditions because of the complexity of the equipment required for the determination of time-dependent properties. These simpler analyses provide a limited representation of cartilage properties thus greatly reducing the impact of the information gathered hindering the understanding of the mechanisms involved in this tissue replacement, development and pathology. More complex techniques could represent better investigative methods, but their uptake in cartilage research is limited by the highly specialised training required and cost of the equipment. There is, therefore, a clear need for alternative experimental approaches to cartilage testing to be deployed in research and clinical settings using more user-friendly and financial accessible devices. Frequency dependent material properties can be determined through rheometry that is an easy to use requiring a relatively inexpensive device; we present how a commercial rheometer can be adapted to determine the viscoelastic properties of articular cartilage. Frequency-sweep tests were run at various applied normal loads on immature, mature and trypsinased (as model of osteoarthritis) cartilage samples to determine the dynamic shear moduli (G*, G′ G″) of the tissues. Moduli increased with increasing frequency and applied load; mature cartilage had generally the highest moduli and GAG depleted samples the lowest. Hydraulic permeability (KH) was estimated from the rheological data and decreased with applied load; GAG depleted cartilage exhibited higher hydraulic permeability than either immature or mature tissues. The rheometer-based methodology developed was validated by the close comparison of the rheometer-obtained cartilage characteristics (G*, G′, G″, KH) with results obtained with more complex testing techniques available in literature. Rheometry is relatively simpler and does not require highly capital intensive machinery and staff training is more accessible; thus the use of a rheometer would represent a cost-effective approach for the determination of frequency-dependent properties of cartilage for more comprehensive and impactful results for both healthcare professional and R&D.

Keywords: tissue, rheometer, biomaterial, cartilage

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Authors: Yao-Hong Tsai

Abstract:

This paper presents an efficient fusion algorithm for iris images to generate stable feature for recognition in unconstrained environment. Recently, iris recognition systems are focused on real scenarios in our daily life without the subject’s cooperation. Under large variation in the environment, the objective of this paper is to combine information from multiple images of the same iris. The result of image fusion is a new image which is more stable for further iris recognition than each original noise iris image. A wavelet-based approach for multi-resolution image fusion is applied in the fusion process. The detection of the iris image is based on Adaboost algorithm and then local binary pattern (LBP) histogram is then applied to texture classification with the weighting scheme. Experiment showed that the generated features from the proposed fusion algorithm can improve the performance for verification system through iris recognition.

Keywords: image fusion, iris recognition, local binary pattern, wavelet

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Authors: Sadia Nasrin Tisha, Mushfika Sharmin Rahman, Javier Orduz

Abstract:

Machine learning is applied in a variety of fields throughout the world. The healthcare sector has benefited enormously from it. One of the most effective approaches for predicting human heart diseases is to use machine learning applications to classify data and predict the outcome as a classification. However, with the rapid advancement of quantum technology, quantum computing has emerged as a potential game-changer for many applications. Quantum algorithms have the potential to execute substantially faster than their classical equivalents, which can lead to significant improvements in computational performance and efficiency. In this study, we applied quantum machine learning concepts to predict coronary heart diseases from text data. We experimented thrice with three different features; and three feature sets. The data set consisted of 100 data points. We pursue to do a comparative analysis of the two approaches, highlighting the potential benefits of quantum machine learning for predicting heart diseases.

Keywords: quantum machine learning, SVM, QSVM, matrix product state

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Authors: Eda Yakit Ak, Ergül Aslan

Abstract:

The study was conducted using the quasi-experimental design to determine the influence of the nursing support program prepared according to the Health Belief Model on reproductive health behaviors of orthopedically disabled women in the physical therapy and rehabilitation clinic at a university hospital between August 2019-October, 2020. The research sample included 50 women (35 in the control group and 15 in the experimental group with orthopedic disability). A 3-week nursing support program was applied to the experimental group of women. To collect the data, Introductory Information Form and Scale for Determining the Protective Attitudes of Married Women towards Reproductive Health (SDPAMW) were applied. The evaluation was made with a follow-up form for four months. In the first evaluation, the total SDPAMW scores were 119.93±20.59 for the experimental group and 122.20±16.71 for the control group. In the final evaluation, the total SDPAMW scores were 144.27±11.95 for the experimental group and 118.00±16.43 for the control group. The difference between the groups regarding the first and final evaluations for the total SDPAMW scores was statistically significant (p<0.01). In the experimental group, between the first and final evaluations regarding the sub-dimensions of SDPAMW, an increase was found in the behavior of seeing the doctor on reproductive health issues, protection from reproductive organ and breast cancer, general health behaviors to protect reproductive health, and protection from genital tract infections (p<0.05). Consequently, the nursing support program based on the Health Belief Model applied to orthopedically disabled women positively affected reproductive health behaviors.

Keywords: orthopedically disabled, woman, reproductive health, nursing support program, health belief model

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Authors: Rosida A. Razak, Mohamad Shanudin Zakaria

Abstract:

The fundamental issues in ICT Governance (ICTG) implementation for Malaysian Public Sector (MPS) is how ICT be applied to support improvements in productivity, management effectiveness and the quality of services offered to its citizens. Our main concern is to develop and adopt a common definition and framework to illustrate how ICTG can be used to better align ICT with government’s operations and strategic focus. In particular, we want to identify and categorize factors that drive a successful ICTG process. This paper presents the results of an exploratory study to identify, validate and refine such Critical Success Factors (CSFs) and confirmed seven CSFs and nineteen sub-factors as influential factors that fit MPS after further validated and refined. The Delphi method applied in validation and refining process before being endorsed as appropriate for MPS. The identified CSFs reflect the focus areas that need to be considered strategically to strengthen ICT Governance implementation and ensure business success.

Keywords: IT governance, critical success factors, productivity, CSFs

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Authors: Reginaldo Cardoso, Magno Enrique Mendoza Meza

Abstract:

This work focuses on simulation and comparison of two control skyhook techniques applied to a quarter-car of the active suspension. The objective is to provide comfort to the driver. The main idea of skyhook control is to imagine a damper connected to an imaginary sky; thus, the feedback is performed with the resultant force between the imaginary and the suspension damper. The first control technique is the Mandani fuzzy skyhook and the second control technique is a Takagi-Sugeno fuzzy skyhook controller, in the both controllers the inputs are the relative velocity between the two masses and the vehicle body velocity, the output of the Mandani fuzzy skyhook is the coefficient of imaginary damper viscous-friction and the Takagi-Sugeno fuzzy skyhook is the force. Finally, we compared the techniques. The Mandani fuzzy skyhook showed a more comfortable response to the driver, followed closely by the Takagi- Sugeno fuzzy skyhook.

Keywords: active suspention, Mandani, quarter-car, skyhook, Sugeno

Procedia PDF Downloads 464