Search results for: antifungal properties

Authors: Intisar S. A. Elzein

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In Saudi Arabia parts of Nigella sativa, and Calotropis procera are commonly used in folk medicine for the treatment of asthma, bronchitis, cough, eczema and other diseases. The purpose of the study is to identify chemical constituents of Nigella sativa seed and Calotropis procera leave isolated by the bioassay guided fractionation process and find out their relevance to the alleged efficacy of the plant in treating asthma. The medicinal properties of both plants for asthma treatment referred to the rich abundance of thymoquinone and phytol compounds isolated from the essential oil of their seed and leave extracts, which they can form a part of molecules of vitamin K.

Keywords: asthma, Calotropis procera, chemical constituents, Nigella sativa, vitamin K

Procedia PDF Downloads 254

Authors: Wojciech Grochala

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AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

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Authors: Johnstone Walubengo Wangusi

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Geotechnical engineering is a multidisciplinary field that encompasses the study of soil, rock, and groundwater properties and their interactions with civil engineering structures. This research paper provides an in-depth overview of geotechnical engineering, covering its fundamental principles, applications in civil infrastructure projects, and the challenges faced by practitioners in the field. Through a comprehensive examination of soil mechanics, foundation design, slope stability analysis, and geotechnical site investigation techniques, this paper aims to highlight the importance of geotechnical engineering in ensuring the safety, stability, and sustainability of infrastructure development. Additionally, it discusses emerging trends, innovative technologies, and future directions in geotechnical engineering research and practice.

Keywords: sustainable geotechnical engineering solutions, education and training for future generations geotechnical engineers, integration of geotechnical engineering and structural engineering, use of AI in geotechnical engineering modelling

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Authors: Kamel Cheriet

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In Algeria, Opuntia ficus Indica production is important. This seasonal fruit is a characteristic of arid and semi-arid regions. Taking into account its high content in antioxidants, it has an excellent nutritional value. The aim of this research is the prickly pear morphological and physicochemical characterization study which is widely present in the Arris (Batna, Algeria) area. The results of this experimental study are comparative to those of the same species from other world regions. The whole fruit weight is estimated to reach 63.38 g with a juice ratio of 71.42%, a pH of 5.54, moisture of 89.3% and a brix of 10.4°. The quantitative amount of the phenolic compounds of the fruit revealed contents of 20.65-45.70 mg / 100 g of MF for total polyphenols and 0.519 -0.591 mg / 100 g of MF for the flavonoids.

Keywords: functional composition, nutritionals properties, opuntia ficus indica, phenolic compounds

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Authors: Chaitanya Sharma, Vikas Upadhyay, A. Tripathi

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Friction stir welding and tungsten inert gas welding techniques were employed to weld armor grade aluminum alloy to investigate the effect of welding processes on tensile behavior of weld joints. Tensile tests, Vicker microhardness tests and optical microscopy were performed on developed weld joints and base metal. Welding process influenced tensile behavior and microstructure of weld joints. Friction stir welded joints showed tensile behavior better than tungsten inert gas weld joints.

Keywords: friction stir welding, microstructure, tensile properties, fracture locations

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Authors: Lee Chiau Yeng, Norhayani Othman

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Regenerated cellulose fiber is fabricated in the NaOH/urea aqueous solution. In this work, cellulose is dissolved in 7 .wt% NaOH/12 .wt% urea in the temperature of -12 °C to prepare regenerated cellulose. Thermal and structure properties of cellulose and regenerated cellulose was compared and investigated by Field Emission Scanning Electron Microscopy (FeSEM), Fourier Transform Infrared Spectroscopy (FTIR), X-Ray Diffraction (XRD), Thermogravimetric analysis (TGA), and Differential Scanning Calorimetry. Results of FeSEM revealed that the regenerated cellulose fibers showed a more circular shape with irregular size due to fiber agglomeration. FTIR showed the difference in between the structure of cellulose and the regenerated cellulose fibers. In this case, regenerated cellulose fibers have a cellulose II crystalline structure with lower degree of crystallinity. Regenerated cellulose exhibited better thermal stability than the cellulose.

Keywords: regenerated cellulose, cellulose, NaOH, urea

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Authors: Teruya Goto, Hokuto Chiba, Tatsuhiro Takahashi

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Carbon fiber reinforced thermoplastic resin using short carbon fiber has been produced by melt mixing and the improvement of mechanical properties has been frequently reported up to now. One of the most frequently reported enhancement has been seen in carbon fiber / polypropylene (PP) composites by adding small amount of maleic anhydride grafted polypropylene (MA-g-PP) into PP matrix. However, the further enhancement of tensile strength and tensile modules has been expected for lightning the composite more. Our present research aims to improve the mechanical property by using a highly reactive monolayer polymer, which can react with both COOH of carbon fiber surface and maleic anhydride of MA-g-PP in the matrix, on carbon fiber for PP/CF composite. It has been known that oxazoline has much higher reactivity with COOH without catalysts, compared with amine group and alcohol OH group. However, oxazoline group has not been used for the interface. To achieve the purpose, poly-2-vinyl-2-oxazoline (Pvozo), having highly reactivity with COOH and maleic anhydride, has been originally synthesized through radical polymerization using 2-vinyl-2-oxazoline as a monomer, resulting in the Mw around 140,000. Monolayer Pvozo chemically reacted on CF was prepared in 1-methoxy-2-propanol solution of Pvozo by heating at 100oC for 3 hours. After this solution treatment, unreacted Pvozo was completely washed out by methanol, resulting the uniform formation of the monolayer Pvozo on CF. Monolayer Pvozo coated CF was melt mixed by with PP and a small amount of MA-g-PP for the preparation of the composite samples using a batch type melt mixer. With performing the tensile strength tests of the composites, the tensile strength of CF/MA-g-PP/PP showed 40% increase, compared to that of CF/PP. While, that of Pvozo coated CF/MA-g-PP/PP exhibited 80% increase, compared to that of CF/PP. To get deeper insight of the dramatic increase, the weight percentage of chemically grafted polymer based on CF was evaluated by dissolving and removing the matrix polymer by xylene using by thermos gravimetric analysis (TGA). The chemically grafted remained polymer was found to be 0.69wt% in CF/PP, 0.98wt% in CF/MA-g-PP/PP, 1.51wt% in Pvozo coated CF/MA-g-PP/PP, suggesting that monolayer Pvozo contributed to the increase of the grafted polymer amount. In addition, the very strong adhesion by Pvozo was confirmed by observing the fractured cross-sectional surface of the composite by scanning electron micrograph (SEM). As a conclusion, the effectiveness of a highly reactive monolayer Pvozo on CF for the enhancement of the mechanical properties of CF/PP composite was demonstrated, which can be interpreted by the clear evidence of the increase of the grafting polymer on CF.

Keywords: CFRTP, interface, oxazoline, polymer graft, mechanical property

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Authors: H. Nematifar, D. Sanavi Khoshnoud, S. Feyz

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Bi0.82La0.2Fe1-xCrxO3 (BLFCxO, x = 0.0, 0.02, 0.05 and 0.08) nanoparticles were successfully synthesized by a sol-gel method. The X-ray diffraction (XRD) patterns indicate that the lattice parameters decrease for x ≤ 0.05, firstly, and then they increase for x > 0.05. A transformation from rhombohedral structure to orthorhombic structure occurs at x = 0.08. The transmission electron microscopy (TEM) analysis shows that the average nanoparticle size is about 60-70 nm. The remnant magnetisation (Mr) increases gradually with x to 0.02, then decreases with further increasing x up to 0.05, and finally enchases abruptly in x = 0.08. The coercivity (HC) increases gradually with x to 0.05, and then significantly reduced with increasing Cr substitution. The magnetic ordering temperature (TN) decreases with Cr doping concentration. The M-H curves of all samples exhibit a wasp-waist hysteresis loop in low magnetic region. This property can play an important role for the applications of some multiferroic nano-device.

Keywords: BiFeO3, sol-gel preparation, nanoparticles, magnetic materials, thermal analysis

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Authors: Bandar Ali Al-Asbahi, Mohammad Hafizuddin Haji Jumali

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Forster energy transfer between poly (9,9'-di-n-octylfluorenyl-2,7-diyl) (PFO)/TiO2 nanoparticles (NPs) as a donor and Fluorol 7GA as an acceptor has been studied. The energy transfer parameters were calculated by using mathematical models. The dominant mechanism responsible for the energy transfer between the donor and acceptor molecules was Forster-type, as evidenced by large values of quenching rate constant, energy transfer rate constant and critical distance of energy transfer. Moreover, these composites which were used as an emissive layer in organic light emitting diodes, were investigated in terms of current density–voltage and electroluminescence spectra.

Keywords: energy transfer parameters, forster-type, electroluminescence, organic light emitting diodes

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Authors: Hanizam Awang, Mohammed Zuhear Al-Mulali

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In this study, the possibility of using unground oil palm ash (UOPA) for producing foamed concrete is investigated. The UOPA used in this study is produced by incinerating palm oil biomass at a temperature exceeding 1000ºC. A semi-structural density of 1300kg/m3 was used with filler to binder ratio of 1.5 and preliminary water to binder ratio of 0.45. Cement was replaced by UOPA at replacement levels of 0, 25, 35, 45, 55 and 65% by weight of binder. Properties such as density, compressive strength, drying shrinkage and water absorption were investigated to the age of 90 days. The mix with a 35% of UOPA content was chosen to be used as the base material of a newly designed interlocking, mortar-less block system.

Keywords: foamed concrete, oil palm ash, strength, interlocking block

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Authors: A. Özyer, N. G. Turan, Y. Ardalı

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The environmental fate of organic contaminants in soils is influenced significantly by the pH, texture of soil, water content and also presence of organic matter. In this study, biodegradation of endosulfan isomers was studied in two different soils (Soil A and Soil B) that have contrasting properties in terms of their texture, pH, organic content, etc. Two Nocardia sp., which were isolated from soil, were used for degradation of endosulfan. Soils were contaminated with commercial endosulfan. Six sets were maintained from two different soils, contaminated with different endosulfan concentrations for degradation experiments. Inoculated and uninoculated mineral media with Nocardia isolates were added to the soils and mixed. Soils were incubated at a certain temperature (30 °C) during ten weeks. Residue endosulfan and its metabolites’ concentrations were determined weekly during the incubation period. The changes of the soil microorganisms were investigated weekly.

Keywords: endosulfan, biodegradation, Nocardia sp. soil, organochlorine pesticide

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Authors: Najah Majouri, Mohamed El Mankibi, Jalila Sghaier

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This study examined the geotechnical, mineralogical, thermal and physical characterization of clays in south-west Tunisia. Its aims are to elaborate an insulator material based on the clay used in the field of building materials. The geotechnical study showed that the clay studied is characterized by a high degree of plasticity of 30.83%. High mineralogical findings showed that the sample consisted mainly of kaonolite and other clay minerals. The thermal and physical properties of the different samples are obtained by mixing clays, which indicates a promising future for the use of this type of clays in the production of insulating building materials.

Keywords: clay, energy-saving, insulator material, and South-West Tunisia.

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Authors: Sofia Lazareva, Artem Smolentsev

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Fluorescent photochromic materials collect strong interest due to their possible application in organic photonics such as optical logic systems, optical memory, visualizing sensors, as well as characterization of polymers and biological systems. In photochromic fluorescence switching systems the emission of fluorophore is modulated between ‘on’ and ‘off’ via the photoisomerization of photochromic moieties resulting in effective resonance energy transfer (FRET). In current work, we have studied both photochromic and fluorescent properties of several diarylethenes. It was found that coloured forms of these compounds are not fluorescent because of the efficient intramolecular energy transfer. Spectral and photochromic parameters of investigated substances have been measured in five solvents having different polarity. Quantum yields of photochromic transformation A↔B ΦA→B and ΦB→A as well as B isomer extinction coefficients were determined by kinetic method. It was found that the photocyclization reaction quantum yield of all compounds decreases with the increase of solvent polarity. In addition, the solvent polarity is revealed to affect fluorescence significantly. Increasing of the solvent dielectric constant was found to result in a strong shift of emission band position from 450 nm (nhexane) to 550 nm (DMSO and ethanol) for all three compounds. Moreover, the emission intensive in polar solvents becomes weak and hardly detectable in n-hexane. The only one exception in the described dependence is abnormally low fluorescence quantum yield in ethanol presumably caused by the loss of electron-donating properties of nitrogen atom due to the protonation. An effect of the protonation was also confirmed by the addition of concentrated HCl in solution resulting in a complete disappearance of the fluorescent band. Excited state dynamics were investigated by ultrafast optical spectroscopy methods. Kinetic curves of excited states absorption and fluorescence decays were measured. Lifetimes of transient states were calculated from the data measured. The mechanism of ring opening reaction was found to be polarity dependent. Comparative analysis of kinetics measured in acetonitrile and hexane reveals differences in relaxation dynamics after the laser pulse. The most important fact is the presence of two decay processes in acetonitrile, whereas only one is present in hexane. This fact supports an assumption made on the basis of steady-state preliminary experiments that in polar solvents occur stabilization of TICT state. Thus, results achieved prove the hypothesis of two channel mechanism of energy relaxation of compounds studied.

Keywords: diarylethenes, fluorescence switching, FRET, photochromism, TICT state

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Authors: Remzi Şahin, Sadık Ata, Kevser Dincer

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In this study, performance of proton exchange membrane (PEM) fuel cell was experimentally investigated. The efficiency of energy conversion in PEM fuel cells is dependent on the catalytic activities of the catalysts used in the cathode and anode of membrane electrode assemblies. Membrane is considered the heart of PEM fuel cells without which they cannot produce electricity. PEM fuel cell performance increased with coating carbon nanotube (CNT). CNT show a unique combination of stiffness, strength, and tenacity compared to other fiber materials which usually lack one or more of these properties. Two different experiments were performed and the membrane performance has been determined by repeating the two experiments that were done before coating. The purposes of these experiments are the observation of power change due to a temperature change in the same voltage value.

Keywords: carbon nanotube (CNT), proton exchange membrane (PEM), fuel cell, spin method

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Authors: Fahad K. Alqahtani

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Nowadays construction industry is developing means to incorporate waste products in concrete to ensure sustainability. To meet the need of construction industry, a synthetic aggregate was developed using optimized technique called compression moulding press technique. The manufactured aggregate comprises mixture of plastic, waste which acts as binder, together with by-product waste which acts as fillers. The physical properties and microstructures of the inert materials and the manufactured aggregate were examined and compared with the conventional available aggregates. The outcomes suggest that the developed aggregate has potential to be used as substitution of conventional aggregate due to its less weight and water absorption. The microstructure analysis confirmed the efficiency of the manufacturing process where the final product has the same mixture of binder and filler.

Keywords: fly ash, plastic waste, quarry fine, red sand, synthetic aggregate

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Authors: Branko Skoric, Aleksandar Miletic, Pal Terek, Lazar Kovacevic, Milan Kukuruzovic

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In this paper, we present the results of a study of TiN thin films which are deposited by a Physical Vapour Deposition (PVD) and Ion Beam Assisted Deposition (IBAD). In the present investigation the subsequent ion implantation was provided with N⁵⁺ ions. The ion implantation was applied to enhance the mechanical properties of surface. The thin film deposition process exerts a number of effects such as crystallographic orientation, morphology, topography, densification of the films. A variety of analytic techniques were used for characterization, such as scratch test, calo test, Scanning electron microscopy (SEM), Atomic Force Microscope (AFM), X-ray diffraction (XRD) and Energy Dispersive X-ray analysis (EDAX).

Keywords: coating, super hard, ion implantation, nanohardness

Procedia PDF Downloads 347

Authors: Hamoud Al-Hadrami, Hossein Emadi, Athar Hussain

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Green hydrogen is quickly emerging as a new source of renewable energy for the world. Hydrogen production using water electrolysis is deemed as an environmentally friendly and safe source of energy for transportation and other industries. However, storing a high volume of hydrogen seems to be a significant challenge. Abandoned hydrocarbon reservoirs are considered as viable hydrogen storage options because of the availability of the required infrastructure such as wells and surface facilities. However, long-term wellbore integrity in these wells could be a serious challenge. Hydrogen reduces the compressive strength of a set cement if it gets in contact with the cement slurry. Also, mixing hydrogen with cement slurry slightly increases its density and rheological properties, which need to be considered to have a successful primary cementing operation.

Keywords: hydrogen, well bore integrity, clean energy, cementing

Procedia PDF Downloads 217

Authors: Mohammadreza Biabani, Mohammad Azadfallah

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A facile and robust strategy is required to fabricate films with high special optical properties for application in the field of anti-counterfeit marking. Nanocellulose, derived from bioresources, is a renewable material with broad application prospects. In this paper, a method for grafting the eco-friendly Berberine cationic dye on cellulose nanofiber is proposed. A functional modification was carried out by in-situ polymerization along with a grafting approach with acrylic acid(AA) in order to develop cationic dyeability of the cellulose nanofiber (CNF). The Berberine grafting on nanocellulose was significantly influenced by the reaction time and temperature during the dyeing process. The dyed CNF-films exhibited appropriate characteristics like appearance, color strength, and fastness for anti-counterfeiting application.

Keywords: Cellulose nanofiber, Berberine, Grafting, anti-counterfeiting, film

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Authors: Aymen Laadhari, Gábor Székely

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In this work, the hemodynamics in the sinuses of Valsalva after Transcatheter Aortic Valve Implantation is numerically examined. We focus on the physical results in the two-dimensional case. We use a finite element methodology based on a Lagrange multiplier technique that enables to couple the dynamics of blood flow and the leaflets’ movement. A massively parallel implementation of a monolithic and fully implicit solver allows more accuracy and significant computational savings. The elastic properties of the aortic valve are disregarded, and the numerical computations are performed under physiologically correct pressure loads. Computational results depict that blood flow may be subject to stagnation in the lower domain of the sinuses of Valsalva after Transcatheter Aortic Valve Implantation.

Keywords: hemodynamics, simulations, stagnation, valve

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Authors: Z. Aziz, S. Terkhi, Y. Sefir, R. Djelti, S. Bentata

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The effect of a uniform electric field across multi-barrier systems (InAs/InxGa1-xAs) is exhaustively explored by a computational model using exact Airy function formalism and the transfer-matrix technique. In the case of biased DFHBSL structure a strong reduction in transmission properties was observed and the width of the mini-band structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the mini-band structure, which becomes increasingly important (Wannier-Stark Effect).

Keywords: dimer fibonacci height barrier superlattices, singular extended state, exact Airy function and transfer matrix formalism, bioinformatics

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Authors: Aziz Zoubir, Sefir Yamina, Djelti Redouan, Bentata Samir

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The effect of a uniform electric field across multibarrier systems (GaAs/AlxGa1-xAs) is exhaustively explored by a computational model using exact Airy function formalism and the transfer-matrix technique. In the case of biased Dimer Fibonacci Height Barrier superlattices (DFHBSL) structure a strong reduction in transmission properties was observed and the width of the miniband structure linearly decreases with the increase of the applied bias. This is due to the confinement of the states in the miniband structure, which becomes increasingly important (Wannier-Stark effect).

Keywords: Dimer Fibonacci Height Barrier superlattices, singular extended states, exact Airy function, transfer matrix formalism

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Authors: Azeez Shaik, Yagnik Kalariya, Amit Salvi

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High-performance requirements and emission norms were forcing the automobile industry to opt for lightweight materials which improve the fuel efficiency and absorb energy during crash applications. In such scenario, the woven fabric composites are providing better energy absorption compared to metals. Woven fabric composites have a repetitive unit cell (RUC) and the mechanical properties of these materials are highly dependent on RUC. This work investigates the importance of detailed modelling of the RUC, the size effects associated and the mitigation techniques to avoid them using Finite element analysis approach.

Keywords: repetitive unit cell, representative volume element, size effects, cohesive zone, finite element analysis

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Authors: A. Mahshid Kakouei, B. Kumaran Suberamanin, C. Sabzali Musa Kahn, D. Mina Kakouei

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This study aims to identify suitable conservative product for the conservation and restoration of historical Zelkova Carpinifolia wood located in humid weather. The superficial properties and hardness of 14 compounds treated with several consolidants were compared. The consolidants have been applied alone, with synthetic resin or with protein glues and natural resins by the brushing method. Colorimetric measurements, observation methods and hardness tests were conducted before and after aging to verify the possible changes of the treated wood and the consolidating resistance. The compound 1:2 of Butvar B98 and sandarac in 5% ethanol was found to be more effective, providing a suitable compound compared to the other consolidants tested.

Keywords: Zelkova carpinifolia, consolidation, synthetic resin, penetration depth, hardness

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Authors: M. El Mousadik, F. Elkandoussi

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The concern for increased rigor in social management has led more and more Moroccan business leaders to question the value of applying social audit as an essential tool in the management of human resources. Hotel companies are not excluded; in fact, they are expected to implement such an audit to develop sound and credible human resources management (HRM) policies. The main objective of this paper is to establish the relationship between the practice of social audit as a tool, and its impact on the tourism sector, especially on hotels at one of the Morocco’s first and most popular city for tourism, Agadir. This exploratory study of properties in Agadir has revealed that hotel executives are aware of the importance of social auditing to hone their decisions in the field of HRM.

Keywords: social audit, hotel companies, human resources management, social piloting

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Authors: Taha Zakaraia Abdel Wahid

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The behavior of the unsteady non-equilibrium distribution function for a dilute gas under the effect of non-linear thermal radiation field is presented. For the best of our knowledge this is done for the first time at all. The distinction and comparisons between the unsteady perturbed and the unsteady equilibrium velocity distribution functions are illustrated. The equilibrium time for the dilute gas is determined for the first time. The non-equilibrium thermodynamic properties of the system (gas+the heated plate) are investigated. The results are applied to the Argon gas, for various values of radiation field intensity. 3D-Graphics illustrating the calculated variables are drawn to predict their behavior. The results are discussed.

Keywords: dilute gas, radiation field, exact solutions, travelling wave method, unsteady BGK model, irreversible thermodynamics, unsteady non-equilibrium distribution functions

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Authors: Weikang Gong, Chunhua Li

Abstract:

Dynamics plays an essential role in function exertion of proteins. Elastic network model (ENM), a harmonic potential-based and cost-effective computational method, is a valuable and efficient tool for characterizing the intrinsic dynamical properties encoded in biomacromolecule structures and has been widely used to detect the large-amplitude collective motions of proteins. Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. In recent years, many ENM variants have been proposed. Here, we propose a small but effective modification (denoted as modified mENM) to the multiscale ENM (mENM) where fitting weights of Kirchhoff/Hessian matrixes with the least square method (LSM) is modified since it neglects the details of pairwise interactions. Then we perform its comparisons with the original mENM, traditional ENM, and parameter-free ENM (pfENM) on reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http://mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM achieves the best performance among the four ENM models. Additionally, it is noted that with the weights of the multiscale Kirchhoff/Hessian matrixes modified, interestingly, the modified mGNM/mANM still has a much better performance than the corresponding traditional ENM and pfENM models. As to dynamical cross-correlation map (DCCM) calculation, taking the data obtained from MD trajectories as the standard, mENM performs the worst while the results produced by the modified mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Generally, ANMs perform better than the corresponding GNMs except for the mENM. Thus, pfANM and the modified mANM, especially the former, have an excellent performance in dynamical cross-correlation calculation. Compared with GNMs (except for mGNM), the corresponding ANMs can capture quite a number of positive correlations for the residue pairs nearly largest distances apart, which is maybe due to the anisotropy consideration in ANMs. Furtherly, encouragingly the modified mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while mANM fails in all the cases. This suggests that the consideration of long-range interactions is critical for ANM models to produce protein functional motions. Based on the analyses, the modified mENM is a promising method in capturing multiple dynamical characteristics encoded in protein structures. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.

Keywords: elastic network model, ENM, multiscale ENM, molecular dynamics, parameter-free ENM, protein structure

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Authors: Mezghiche Kamel

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We present solitary wave solutions for the perturbed nonlinear Schrodinger (PNLS) equation describing propagation of femtosecond light pulses through the fiber Bragg grating structure where the pulse dynamics is governed by the nonlinear-coupled mode (NLCM) equations. Using the multiple scale analysis, we reduce the NLCM equations into the perturbed nonlinear Schrodinger (PNLS) type equation. Unlike the reported solitary wave solutions of the PNLS equation, the novel ones can describe W shaped of solitons and their properties.

Keywords: fiber bragg grating, nonlinear-coupled mode equations, w shaped of solitons, PNLS

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Authors: Reyhan Özdoğan, Mithat Çelebi, Özgür Ceylan, Mehmet Arif Kaya

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Super absorbent polymers (SAPs) are defined as materials that can absorb huge amount of water or aqueous solution in comparison to their own mass and retain in their lightly cross-linked structure. SAPs were produced from water soluble monomers via polymerization subsequently controlled crosslinking. SAPs are generally used for water absorbing applications such as baby diapers, patient or elder pads and other hygienic product industries. Crosslinking density (CD) of SAP structure is an essential factor for water absortion capacity (WAC). Low internal CD leads to high WAC values and vice versa. However, SAPs have low CD and high swelling capacities and tend to disintegrate when pressure is applied upon them, so SAPs under load cannot absorb liquids effectively. In order to prevent this undesired situation and to obtain suitable SAP structures having high swelling capacity and ability to work under load, surface crosslinking can be the answer. In industry, these superabsorbent gels are mostly produced via solution polymerization and then they need to be dried, grinded, sized, post polymerized and finally surface croslinked (involves spraying of a crosslinking solution onto dried and grinded SAP particles, and then curing by heat). It can easily be seen that these steps are time consuming and should be handled carefully for the desired final product. If we could synthesize desired final SAPs using less processes it will help reducing time and production costs which are very important for any industries. In this study, synthesis of SAPs were achieved successfully by inverse suspension (Pickering type) polymerization and subsequently in-situ surface cross-linking via using proper surfactants in high boiling point solvents. Our one-pot synthesis of surface cross-linked SAPs invovles only one-step for preparation, thus it can be said that this technique exhibits more preferable characteristic for the industry in comparison to conventional methods due to its one-step easy process. Effects of different surface crosslinking agents onto properties of poly(acrylic acid-co-sodium acrylate) based SAPs are investigated. Surface crosslink degrees are evaluated by swelling under load (SUL) test. It was determined water absorption capacities of obtained SAPs decrease with the increasing surface crosslink density while their mechanic properties are improved.

Keywords: inverse suspension polymerization, polyacrylic acid, super absorbent polymers (SAPs), surface crosslinking, sodium polyacrylate

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Authors: B. Bouadjemi, S. Bentata, W. Benstaali, A. Souidi, A. Abbad, T. Lantri, Z. Aziz, A. Zitouni

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The electronic and magnetic structures of double perovskite Ba2MnMoO6 are systematically investigated using the first principle method of the Full Potential Linear Augmented Plane Waves Plus the Local Orbitals (FP-LAPW+LO) within the Local Spin Density Approximation (LSDA) and the Generalized Gradient Approximation (GGA). In order to take into account the strong on-site Coulomb interaction, we included the Hubbard correlation terms: LSDA+U and GGA+U approaches. Whereas half-metallic ferromagnetic character is observed due to dominant Mn spin-up and Mo spin-down contributions insulating ground state is obtained. The LSDA+U and GGA+U calculations yield better agreement with the theoretical and the experimental results than LSDA and GGA do.

Keywords: electronic structure, double perovskite, first principles, Ba2MnMoO6, half-metallic

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Authors: Kumaresh Selvakumar, Man Young Kim

Abstract:

Wet scrubbers have found widespread use in cleaning contaminated gas streams because of their ability to remove particulates and based on the applications of scrubbing of marine engine exhaust gases by spraying sea-water. In order to examine the flow characteristics inside the scrubber, the model is designated with flow properties of hot air and water sprayer. The flow dynamics of evaporation of hot air by the injection of water droplets is the key factor considered in this paper. The flow behavior inside the scrubber was investigated from the previous works and to sum up the evaporation rate with respect to the concentration of water droplets are predicted to bring out the competent modelling. The numerical analysis using CFD facilitates in understanding the problem better and empathies the behavior of the model over its entire operating envelope.

Keywords: concentration of water droplets, evaporation rate, scrubber, water sprayer

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