Search results for: physicochemical properties.

Authors: Sérgio F. Sousa, Nuno M. F. S. A. Cerqueira, Marta A. S. Perez, Irina S. Moreira, António J. M.Ribeiro, Ana R. A. P. Neves, Maria J. Ramos, Pedro A. Fernandes

Abstract:

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Keywords: Enzyme, Molecular Dynamics, Protein, Quantum Mechanics.

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Authors: S. Manjunatha, M. S. Dharmaprakash

Abstract:

Well-defined 2D Eu⁺³ co-doped ZrO₂: Gd⁺³ nanoparticles were successfully synthesized by microwave assisted solution combustion technique for luminescent applications. The present investigation reports the rapid and effective method for the synthesis of the Eu⁺³ co-doped ZrO₂:Gd⁺³ nanoparticles and study of the luminescence behavior of Eu⁺³ ion in ZrO₂:Gd⁺³ nanostructures. The optical properties of the prepared nanostructures were investigated by using UV-visible spectroscopy and photoluminescence spectra. The phase formation and the morphology of the nanoplatelets were studied by XRD, FESEM and HRTEM. The average grain size was found to be 45-50 nm. The presence of Gd³⁺ ion increases the crystallinity of the material and hence acts as a good nucleating agent. The ZrO₂:Gd³⁺ co-doped with Eu⁺³ nanoplatelets gives an emission at 607 nm, a strong red emission under the excitation wavelength of 255 nm.

Keywords: Nanoparticles, XRD, TEM, photoluminescence.

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Authors: K. Hiro, T. Wada

Abstract:

Thermodynamic properties of liquids under negative pressures are interesting and important in fields of scienceand technology. Here, phase transitions of a thermotropic liquid crystal are investigatedin a range from positive to negative pressures with a metal Berthelot tube using a commercial pressure transducer.Two co-existinglines, namely crystal (Kr) –nematic (N), and isotropic liquid (I) - nematic (N) lines, weredrawn in a pressure - temperature plane. The I-N line was drawn to ca. -5 (MPa).

Keywords: Berthelot method, liquid crystal, negative pressure.

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Authors: Aliya Idrissova

Abstract:

Civil service (public administration) is an important social institution of society properties. Civil service institution had a significant impact on modernization processes in Kazakhstan through ensuring the functioning of all the subsystems of social life. This article is an attempt to analyze the reforms of public service institution in Kazakhstan and to assess its influence on modernization processes.

Keywords: Civil service, Kazakhstan, modernization, a national model of civil service, civil service reforms, bureaucracy.

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Authors: Gamze Ozel, Selen Cakmakyapan

Abstract:

We introduce a new model called the Marshall-Olkin Rayleigh distribution which extends the Rayleigh distribution using Marshall-Olkin transformation and has increasing and decreasing shapes for the hazard rate function. Various structural properties of the new distribution are derived including explicit expressions for the moments, generating and quantile function, some entropy measures, and order statistics are presented. The model parameters are estimated by the method of maximum likelihood and the observed information matrix is determined. The potentiality of the new model is illustrated by means of a simulation study. 

Keywords: Marshall-Olkin distribution, Rayleigh distribution, estimation, maximum likelihood.

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Authors: Nikol Žižková, Šárka Keprdová, Rostislav Drochytka

Abstract:

The paper focuses on the study of the properties of cement-based composites produced using secondary crystallization (crystalline additive). In this study, cement mortar made with secondary crystallization was exposed to an aggressive environment and the influence of secondary crystallization on the degradation of the cementitious composite was investigated. The results indicate that the crystalline additive contributed to increasing the resistance of the cement-based composite to the attack of the selected environments (sodium sulphate solution and ammonium chloride solution).

Keywords: Secondary crystallization, cement-based composites, durability.

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Authors: Jianmin Xing Wei Shao

Abstract:

We introduce the notion of strongly ω -Gorenstein modules, where ω is a faithfully balanced self-orthogonal module. This gives a common generalization of both Gorenstein projective (injective) modules and ω-Gorenstein modules. We investigate some characterizations of strongly ω -Gorenstein modules. Consequently, some properties under change of rings are obtained.

Keywords: Faithfully balanced self-orthogonal module, ω-Gorenstein module, strongly ω-Gorenstein module, finite generated.

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Authors: Yuko Matayoshi, Takashi Sakai, Ying-jun Jin, Jun-ichi Koyama

Abstract:

To elucidate the material characteristics of single crystals of pure aluminum and copper, the respective relations between crystallographic orientations and microstructures were examined, along with bending and mechanical properties. The texture distribution was also analysed. Bending tests were performed in a SEM apparatus while its behaviors were observed. Some analytical results related to crystal direction maps, inverse pole figures, and textures were obtained from electron backscatter diffraction (EBSD) analyses.

Keywords: Pure aluminum, Pure copper, Single crystal, Bending, SEM-EBSD analysis, Texture, Microstructure.

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Authors: W. L. Liong, Srimala Sreekantan, Sabar D. Hutagalung

Abstract:

The effect of concentration of reduction agent of sodium borohydrate (NaBH4) on the properties of silicon nanoparticles synthesized via microemulsion route is reported. In this work, the concentration of the silicon tetrachloride (SiCl4) that served as silicon source with sodium hydroxide (NaOH) and polyethylene glycol (PEG) as stabilizer and surfactant, respectively, are keep fixed. Four samples with varied concentration of NaBH4 from 0.05 M to 0.20 M were synthesized. It was found that the lowest concentration of NaBH4 gave better formation of silicon nanoparticles.

Keywords: Microelmusion, nanoparticles, reduction, silicon

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Authors: Nabeel A. Qazi, Absaar ul Jabbar, Khalid Parvez

Abstract:

A code has been developed in Mathematica using Direct Simulation Monte Carlo (DSMC) technique. The code was tested for 2-D air flow around a circular cylinder. Same geometry and flow properties were used in FLUENT 6.2 for comparison. The results obtained from Mathematica simulation indicated significant agreement with FLUENT calculations, hence providing insight into particle nature of fluid flows.

Keywords: DSMC algorithm, non continuum gas flows, Monte Carlo methods

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Authors: Sie-Tiong Ha, Teck-Leong Lee, Yip-Foo Win, Siew-Ling Lee, Guan-Yeow Yeap

Abstract:

A homologous series of aromatic esters, 4-nalkanoyloxybenzylidene- 4--bromoanilines, nABBA, consisting of two 1,4-disubstituted phenyl cores and a Schiff base central linkage was synthesized. All the members can be differed by the number of carbon atoms at terminal alkanoyloxy chain (CnH2n-1COO-, n = 2, 6, 18). The molecular structure of nABBA was confirmed with infrared spectroscopy, nuclear magnetic resonance (NMR) spectroscopy and electron-ionization mass (EI-MS) spectrometry. Mesomorphic properties were studied using differential scanning calorimetry and polarizing optical microscopy.

Keywords: Liquid Crystals, Schiff base, Smectic, Mesomorphic

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Authors: Özge Alptoğa, Nuray Uçar, Nilgün Karatepe Yavuz, Ayşen Önen

Abstract:

Sulfur dioxide (SO₂) is a very toxic air pollutant gas and it causes the greenhouse effect, photochemical smog, and acid rain, which threaten human health severely. Thus, the capture of SO₂ gas is very important for the environment. Graphene which is two-dimensional material has excellent mechanical, chemical, thermal properties, and many application areas such as energy storage devices, gas adsorption, sensing devices, and optical electronics. Further, graphene oxide (GO) is examined as a good adsorbent because of its important features such as functional groups (epoxy, carboxyl and hydroxyl) on the surface and layered structure. The SO₂ adsorption properties of the fibers are usually investigated on carbon fibers. In this study, potential adsorption capacity of GO fibers was researched. GO dispersion was first obtained with Hummers’ method from graphite, and then GO fibers were obtained via wet spinning process. These fibers were converted into a disc shape, dried, and then subjected to SO₂ gas adsorption test. The SO₂ gas adsorption capacity of GO fiber discs was investigated in the fields of utilization of different coagulation baths and reduction by hydrazine hydrate. As coagulation baths, single and triple baths were used. In single bath, only ethanol and CaCl₂ (calcium chloride) salt were added. In triple bath, each bath has a different concentration of water/ethanol and CaCl₂ salt, and the disc obtained from triple bath has been called as reference disk. The fibers which were produced with single bath were flexible and rough, and the analyses show that they had higher SO₂ adsorption capacity than triple bath fibers (reference disk). However, the reduction process did not increase the adsorption capacity, because the SEM images showed that the layers and uniform structure in the fiber form were damaged, and reduction decreased the functional groups which SO₂ will be attached. Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD) analyzes were performed on the fibers and discs, and the effects on the results were interpreted. In the future applications of the study, it is aimed that subjects such as pH and additives will be examined.

Keywords: Coagulation bath, graphene oxide fiber, reduction, SO2 gas adsorption.

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Authors: F. Abdul Majeed, H. Karki, Y. Abdel Magid, M. Karkoub

Abstract:

This paper analyses the non linear properties exhibited by a drill string system under various un balanced mass conditions. The drill string is affected by continuous friction in the form of drill bit and well bore hole interactions. This paper proves the origin of limit cycling and increase of non linearity with increase in speed of the drilling in the presence of friction. The spectrum of the frequency response is also studied to detect the presence of vibration abnormalities arising during the drilling process.

Keywords: Drill strings, Nonlinear, Spectrum analysis, Unbalanced mass

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Authors: Amer Ibrahim Falah Al-Omari

Abstract:

In this paper, we suggest new product-type estimators for the population mean of the variable of interest exploiting the first or the third quartile of the auxiliary variable. We obtain mean square error equations and the bias for the estimators. We study the properties of these estimators using simple random sampling (SRS) and ranked set sampling (RSS) methods. It is found that, SRS and RSS produce approximately unbiased estimators of the population mean. However, the RSS estimators are more efficient than those obtained using SRS based on the same number of measured units for all values of the correlation coefficient.

Keywords: Product estimator, auxiliary variable, simple random sampling, extreme ranked set sampling

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Authors: Z. Abdollahnejad, M. Kheradmand, F. Pacheco-Torgal

Abstract:

The use of bio-based admixtures on construction materials is a recent trend that is gaining momentum. However, to our knowledge, no studies have been reported concerning the use of biopolymers on hybrid cement based mortars. This paper reports experimental results regarding the study of the influence of mix design of 43 hybrid cement mortars containing two different biopolymers on its mechanical performance. The results show that the use of the biopolymer carrageenan is much more effective than the biopolymer xanthan concerning the increase in compressive strength. An optimum biopolymer content was found.

Keywords: Waste reuse, fly ash, waste glass, hybrid cement, biopolymers, mechanical strength.

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Authors: Xianqing Liu, Shouming Zhong, Lijiang Xiang

Abstract:

In this paper, a stochastic predator-prey system with Bedding-DeAngelis functional response is studied. By constructing a suitable Lyapunov founction, sufficient conditions for species to be stochastically permanent is established. Meanwhile, we show that the species will become extinct with probability one if the noise is sufficiently large.

Keywords: Stochastically permanent, extinct, white noise, Bedding-DeAngelis functional response.

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Authors: Zheng-Kuohai, Yang-Shengsheng, Li-Zhonghua, Zhao-Lin

Abstract:

Materials used on exterior spacecraft surfaces are subjected to many environmental threats which can cause degradation, atomic oxygen is one of the most threats. We prepared organic silicon atomic-oxygen-protection film using method of polymerization. This paper presented the effects on the film structure and its durability of the preparation processing, and analyzed the polymerization theory, the film structure and composition of the film. At last, we tested the film in our ground based atomic oxygen simulator, and indicated that the film worked well.

Keywords: Atomic oxygen, siloxane, protection, plasma, polymerization.

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Authors: Swarniv Chandra, Basudev Ghosh

Abstract:

Nonlinear solitary structures of electron plasma waves have been investigated by using nonlinear quantum fluid equations for electrons with an arbitrary temperature. It is shown that the electron degeneracy parameter has significant effects on the linear and nonlinear properties of electron plasma waves. Depending on its value both compressive and rarefactive solitons can be excited in the model plasma under consideration.

Keywords: Electron Plasma Waves, Finite Temperature Model, Modulational Instability, Quantum Plasma, Solitary structure

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Authors: Shaoquan Sun, Chunxiang Liu

Abstract:

In this paper, we extend the fuzzy subrings with operators to the (λ, μ)-fuzzy subrings with operators. And the concepts of the (λ, μ)-fuzzy subring with operators and (λ, μ)-fuzzy quotient ring with operators are gived, while their elementary properties are discussed.

Keywords: Fuzzy subring with operators, (λ, μ)-fuzzy subring with operators, (λ, μ)-fuzzy quotient ring with operators.

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Authors: Y. Obikane, T. Nemoto , K. Ogura, M. Iwata, K. Ono

Abstract:

The objective of this research was to find the diffusion properties of vehicles on the road by using the V-Sphere Code. The diffusion coefficient and the size of the height of the wake were estimated with the LES option and the third order MUSCL scheme. We evaluated the code with the changes in the moments of Reynolds Stress along the mean streamline. The results show that at the leading part of a bluff body the LES has some advantages over the RNS since the changes in the strain rates are larger for the leading part. We estimated that the diffusion coefficient with the computed Reynolds stress (non-dimensional) was about 0.96 times the mean velocity.

Keywords: Wake , bluff body, V-CAD, turbulence diffusion.

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Authors: R. Kongnuy, E. Naowanich, T. Kruehong

Abstract:

An important technique in stability theory for differential equations is known as the direct method of Lyapunov. In this work we deal global stability properties of Leptospirosis transmission model by age group in Thailand. First we consider the data from Division of Epidemiology Ministry of Public Health, Thailand between 1997-2011. Then we construct the mathematical model for leptospirosis transmission by eight age groups. The Lyapunov functions are used for our model which takes the forms of an Ordinary Differential Equation system. The globally asymptotically for equilibrium states are analyzed.

Keywords: Age Group, Leptospirosis, Lyapunov Function, Ordinary Differential Equation.

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Authors: Ghada Abdelmouez M., Fathy S. Helail, Abdellatif A. Elkouny

Abstract:

It is known that symmetric encryption algorithms are fast and easy to implement in hardware. Also elliptic curves have proved to be a good choice for building encryption system. Although most of the symmetric systems have been broken, we can create a hybrid system that has the same properties of the symmetric encryption systems and in the same time, it has the strength of elliptic curves in encryption. As DES algorithm is considered the core of all successive symmetric encryption systems, we modified DES using elliptic curves and built a new DES algorithm that is hard to be broken and will be the core for all other symmetric systems.

Keywords: DES, Elliptic Curves, hybrid system, symmetricencryption.

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Authors: Jin Si, Yanzhong Wang

Abstract:

The essence of the 21st century is knowledge economy. Knowledge has become the key resource of economic growth and social development. Construction industry is no exception. Because of the characteristic of complexity, project manager can't depend only on information management. The only way to improve the level of construction project management is to set up a kind of effective knowledge accumulation mechanism. This paper first introduced the IFC standard and the concept of ontology. Then put forward the construction method of the architectural engineering domain ontology based on IFC. And finally build up the concepts, properties and the relationship between the concepts of the ontology. The deficiency of this paper is also pointed out.

Keywords: Construction Engineering, IFC, Ontology

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Authors: F. Kurtuluş, G. Çelik Gül

Abstract:

Cesium molybdates with general formula CsMIII(MoO4)2, where MIII = Bi, Dy, Pr, Er, exhibit rich polymorphism, and crystallize in a layered structure. These properties cause intensive studies on cesium molybdates. CsBi(MoO4)2 was synthesized by microwave method by using cerium sulphate, bismuth oxide and molybdenum (VI) oxide in an appropriate molar ratio. Characterizations were done by x-ray diffraction (XRD), fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy/energy dispersive analyze (SEM/EDS), thermo gravimetric/differantial thermal analysis (TG/DTA).

Keywords: Cesium bismuth dimolybdate, microwave synthesis, powder x-ray diffraction, rare earth dimolybdates.

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Authors: I. Norhuda, A. K. Mohd Omar

Abstract:

Studies on gas solid mass transfer using Supercritical fluid CO2 (SC-CO2) in a packed bed of palm kernels was investigated at operating conditions of temperature 50 °C and 70 °C and pressures ranges from 27.6 MPa, 34.5 MPa, 41.4 MPa and 48.3 MPa. The development of mass transfer models requires knowledge of three properties: the diffusion coefficient of the solute, the viscosity and density of the Supercritical fluids (SCF). Matematical model with respect to the dimensionless number of Sherwood (Sh), Schmidt (Sc) and Reynolds (Re) was developed. It was found that the model developed was found to be in good agreement with the experimental data within the system studied.

Keywords: Mass Transfer, Palm Kernel, Supercritical fluid.

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Authors: M. Sandhya, R. M. Madhumitha, Sharmila Sankar

Abstract:

Interoperable medical devices (IMDs) face threats due to the increased attack surface accessible by interoperability and the corresponding infrastructure. Initiating networking and coordination functionalities primarily modify medical systems' security properties. Understanding the threats is a vital first step in ultimately crafting security solutions for such systems. The key to this problem is coming up with some common types of threats or attacks with those of security and privacy, and providing this information as a roadmap. This paper analyses the security issues in interoperability of devices and presents the main types of threats that have to be considered to build a secured system.

Keywords: Interoperability, threats, attacks, medical devices.

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Authors: R. B. Ogunrinde

Abstract:

This paper presents the development, analysis and implementation of an inverse polynomial numerical method which is well suitable for solving initial value problems in first order ordinary differential equations with applications to sample problems. We also present some basic concepts and fundamental theories which are vital to the analysis of the scheme. We analyzed the consistency, convergence, and stability properties of the scheme. Numerical experiments were carried out and the results compared with the theoretical or exact solution and the algorithm was later coded using MATLAB programming language.

Keywords: Differential equations, Numerical, Initial value problem, Polynomials.

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Authors: D. Artamonov, A. Tsibulnikova, I. Samusev, V. Bryukhanov, A. Kozhevnikov

Abstract:

The synthesis and luminescent properties of Yb2O3,Nd2O3@Bi2O3 complex with upconversion generation are discussed in this work. The obtained samples were measured in the visible region of the spectrum under excitation with a wavelength of 980 nm. The studies showed that the obtained complexes have a high degree of stability and intense luminescence in the wavelength range of 400-750 nm. Consideration of the time dependence of the intensity of the upconversion luminescence allowed us to conclude that the enhancement of the intensity occurs in the time interval from 5 to 30 min, followed by the appearance of a stationary mode.

Keywords: Lasers, luminescence, upconversion photonics, rare earth metals.

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Authors: M. Hamdi, R. Rhouma, S. Belghith

Abstract:

Generating random numbers are mainly used to create secret keys or random sequences. It can be carried out by various techniques. In this paper we present a very simple and efficient pseudo random number generator (PRNG) based on chaotic maps and S-Box tables. This technique adopted two main operations one to generate chaotic values using two logistic maps and the second to transform them into binary words using random S-Box tables. The simulation analysis indicates that our PRNG possessing excellent statistical and cryptographic properties.

Keywords: Chaotic map, Cryptography, Random Numbers, Statistical tests, S-box.

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Authors: Amar Partap Singh Pharwaha, Shweta Rani

Abstract:

This paper is aimed at proposing a rhombus shaped wearable fractal antenna for wireless communication systems. The geometrical descriptors of the antenna have been obtained using bacterial foraging optimization (BFO) for wide band operation. The method of moment based IE3D software has been used to simulate the antenna and observed that miniaturization of 13.08% has been achieved without degrading the resonating properties of the proposed antenna. An analysis with different substrates has also been done in order to evaluate the effectiveness of electrical permittivity on the presented structure. The proposed antenna has low profile, light weight and has successfully demonstrated wideband and multiband characteristics for wearable electronic applications.

Keywords: BFO, bandwidth, electrical permittivity, fractals, wearable antenna.

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