Search results for: Free electron laser

Authors: Bita Bayatsarmadi, Shi-Zhang Qiao

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Oxygen Reduction Reaction (ORR) performance of iron and nitrogen co-doped porous carbon nanoparticles (Fe-NPC) with various physical and (electro) chemical properties have been investigated. Fe-NPC nanoparticles are synthesized via a facile soft-templating procedure by using Iron (III) chloride hexa-hydrate as iron precursor and aminophenol-formaldehyde resin as both carbon and nitrogen precursor. Fe-NPC nanoparticles shows high surface area (443.83 m2g-1), high pore volume (0.52 m3g-1), narrow mesopore size distribution (ca. 3.8 nm), high conductivity (IG/ID=1.04), high kinetic limiting current (11.71 mAcm-2) and more positive onset potential (-0.106 V) compared to metal-free NPC nanoparticles (-0.295V) which make it high efficient ORR metal-free catalysts in alkaline solution. This study may pave the way of feasibly designing iron and nitrogen containing carbon materials (Fe-N-C) for highly efficient oxygen reduction electro-catalysis.

Keywords: Electro-catalyst, mesopore structure, oxygen reduction reaction, soft-template.

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Authors: Chi Man Luk, Ming Kiu Tsang, Chi Fan Chan, Shu Ping Lau

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Nitrogen-doped graphene quantum dots (N-GQDs) were fabricated by microwave-assisted hydrothermal technique. The optical properties of the N-GQDs were studied. The luminescence of the N-GQDs can be tuned by varying the excitation wavelength. Furthermore, two-photon luminescence of the N-GQDs excited by near-infrared laser can be obtained. It is shown that N-doping play a key role on two-photon luminescence. The N-GQDs are expected to find application in biological applications including bioimaging and sensing.

Keywords: Graphene quantum dots, nitrogen doping, photoluminescence, two-photon fluorescence.

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Authors: Montri Maleewong, Sirod Sirisup

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The POD-assisted projective integration method based on the equation-free framework is presented in this paper. The method is essentially based on the slow manifold governing of given system. We have applied two variants which are the “on-line" and “off-line" methods for solving the one-dimensional viscous Bergers- equation. For the on-line method, we have computed the slow manifold by extracting the POD modes and used them on-the-fly along the projective integration process without assuming knowledge of the underlying slow manifold. In contrast, the underlying slow manifold must be computed prior to the projective integration process for the off-line method. The projective step is performed by the forward Euler method. Numerical experiments show that for the case of nonperiodic system, the on-line method is more efficient than the off-line method. Besides, the online approach is more realistic when apply the POD-assisted projective integration method to solve any systems. The critical value of the projective time step which directly limits the efficiency of both methods is also shown.

Keywords: Projective integration, POD method, equation-free.

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Authors: Faheem Ahmed, Piers Campbell, Ahmad Jaffar, Luiz Capretz

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Free and open source software is gaining popularity at an unprecedented rate of growth. Organizations despite some concerns about the quality have been using them for various purposes. One of the biggest concerns about free and open source software is post release software defects and their fixing. Many believe that there is no appropriate support available to fix the bugs. On the contrary some believe that due to the active involvement of internet user in online forums, they become a major source of communicating the identification and fixing of defects in open source software. The research model of this empirical investigation establishes and studies the relationship between open source software defects and online public forums. The results of this empirical study provide evidence about the realities of software defects myths of open source software. We used a dataset consist of 616 open source software projects covering a broad range of categories to study the research model of this investigation. The results of this investigation show that online forums play a significant role identifying and fixing the defects in open source software.

Keywords: About Open source software, software engineering, software defect management, empirical software engineering.

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Authors: R.M. López-Gutiérrez, C. Cruz-Hernández, C. Posadas-Castillo, E.E.García-Guerrero

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Encoded information based on synchronization of coupled chaotic Nd:YAG lasers in master-slave configuration is numerically studied. Encoding, transmission, and decoding of information in optical chaotic communication with a single channel is presented. We analyze the robustness of the encrypted audio transmission in a channel noise. In order to illustrate this synchronization robustness, we present two cases of study: synchronization and transmission with a single channel without and with noise in the channel.

Keywords: Encryption, Secure coomunication, Chaos, Synchronization, Complex networks, Nd:YAG laser.

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Authors: Cheng-Chung Yang, Jr-Ming Miao, Fuh-Lin Lih, Tsung-Lung Liu, Ming-Hui Ho

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The operation performance of a valveless micro-pump is strongly dependent on the shape of connected nozzle/diffuser and Reynolds number. The aims of present work are to compare the performance curves of micropump with the original straight nozzle/diffuser and contoured nozzle/diffuser under different back pressure conditions. The tested valveless micropumps are assembled of five pieces of patterned PMMA plates with hot-embracing technique. The structures of central chamber, the inlet/outlet reservoirs and the connected nozzle/diffuser are fabricated with laser cutting machine. The micropump is actuated with circular-type PZT film embraced on the bottom of central chamber. The deformation of PZT membrane with various input voltages is measured with a displacement laser probe. A simple testing facility is also constructed to evaluate the performance curves for comparison. In order to observe the evaluation of low Reynolds number multiple vortex flow patterns within the micropump during suction and pumping modes, the unsteady, incompressible laminar three-dimensional Reynolds-averaged Navier-Stokes equations are solved. The working fluid is DI water with constant thermo-physical properties. The oscillating behavior of PZT film is modeled with the moving boundary wall in way of UDF program. With the dynamic mesh method, the instants pressure and velocity fields are obtained and discussed.Results indicated that the volume flow rate is not monotony increased with the oscillating frequency of PZT film, regardless of the shapes of nozzle/diffuser. The present micropump can generate the maximum volume flow rate of 13.53 ml/min when the operation frequency is 64Hz and the input voltage is 140 volts. The micropump with contoured nozzle/diffuser can provide 7ml/min flow rate even when the back pressure is up to 400 mm-H2O. CFD results revealed that the flow central chamber was occupied with multiple pairs of counter-rotating vortices during suction and pumping modes. The net volume flow rate over a complete oscillating periodic of PZT

Keywords: valveless micropump、PZT diagraph、contoured nozzle/diffuser、vortex flow.

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Authors: Sushil Kumar Saraswat, K. K. Pant

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Co metal supported on SiO2 and Al2O3 catalysts with a metal loading varied from 30 of 70 wt.% were evaluated for decomposition of methane to COx free hydrogen and carbon nanomaterials. The catalytic runs were carried out from 550-800oC under atmospheric pressure using fixed bed vertical flow reactor. The fresh and spent catalysts were characterized by BET surface area analyzer, XRD, SEM, TEM and TG analysis. The data showed that 50% Co/Al2O3 catalyst exhibited remarkable higher activity at 800oC with respect to H2 production compared to rest of the catalysts. However, the catalytic activity and durability was greatly declined at higher temperature. The main reason for the catalytic inhibition of Co containing SiO2 catalysts is the higher reduction temperature of Co2SiO4. TEM images illustrate that the carbon materials with various morphologies, carbon nanofibers (CNFs), helical-shaped CNFs and branched CNFs depending on the catalyst composition and reaction temperature were obtained.

Keywords: Carbon nanotubes, Cobalt, Hydrogen Production, Methane decomposition.

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Authors: Ruchi Vyas, Sanjay Singh, Rashmi Sisodia

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Chlorophytum borivillianum root extract (CBE) was chosen as a reducing agent to fabricate silver nanoparticles with the aim of studying its radioprotective efficacy. The formation of synthesized nanoparticles was characterized by UV–visible analysis (UV–vis), Fourier transform infra-red (FT-IR), Transmission electron microscopy (TEM), Scanning electron microscope (SEM). TEM analysis showed particles size in the range of 20-30 nm. For this study, Swiss albino mice were selected from inbred colony and were divided into 4 groups: group I- control (irradiated-6 Gy), group II- normal (vehicle treated), group III- plant extract alone and group IV- CB-AgNPs (dose of 50 mg/kg body wt./day) administered orally for 7 consecutive days before irradiation to serve as experimental. CB-AgNPs pretreatment rendered significant increase in body weight and testes weight at various post irradiation intervals in comparison to irradiated group. Supplementation of CB-AgNPs reversed the adverse effects of gamma radiation on biochemical parameters as it notably ameliorated the elevation in lipid peroxidation and decline in glutathione concentration in testes. These observations indicate the radio-protective potential of CB-AgNPs in testicular constituents against gamma irradiation in mice.

Keywords: Chlorophytum borivillianum, gamma radiation, radioprotective, silver nanoparticles.

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Authors: Magdi M. E. Zumrawi, Khalid A. Eltayeb

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Chemical stabilization is a technique commonly used to improve the expansive soil properties. In this regard, an attempt has been made to evaluate the influence of Calcium Chloride (CaCl2) stabilizer on the engineering properties of expansive soil. A series of laboratory experiments including consistency limits, free swell, compaction, and shear strength tests were performed to investigate the effect of CaCl2 additive with various percentages 0%, 2%, 5%, 10% and 15% for improving expansive soil. The results obtained shows that the increase in the percentage of CaCl2decreased the liquid limit and plasticity index leading to significant reduction in the free swell index. This, in turn, increased the maximum dry density and decreased the optimum moisture content which results in greater strength. The unconfined compressive strength of soil stabilized with 5% CaCl2 increased approximately by 50% as compared to virgin soil. It can be concluded that CaCl2 had shown promising influence on the strength and swelling properties of expansive soil, thereby giving an advantage in improving problematic expansive soil.

Keywords: Calcium chloride, chemical stabilization, expansive soil, improving.

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Authors: Min Kyung An

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In this paper, we study the data collection problem in Wireless Sensor Networks (WSNs) adopting the two interference models: The graph model and the more realistic physical interference model known as Signal-to-Interference-Noise-Ratio (SINR). The main issue of the problem is to compute schedules with the minimum number of timeslots, that is, to compute the minimum latency schedules, such that data from every node can be collected without any collision or interference to a sink node. While existing works studied the problem with unit-sized and unbounded-sized message models, we investigate the problem with the bounded-sized message model, and introduce a constant factor approximation algorithm. To the best known of our knowledge, our result is the first result of the data collection problem with bounded-sized model in both interference models.

Keywords: Data collection, collision-free, interference-free, physical interference model, SINR, approximation, bounded-sized message model, wireless sensor networks, WSN.

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Authors: Deepak Kukkar, Inderpreet Kaur, Jagtar Singh, Lalit M Bharadwaj

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Polymeric microreactors have emerged as a new generation of carriers that hold tremendous promise in the areas of cancer therapy, controlled delivery of drugs, for removal of pollutants etc. Present work reports a simple and convenient methodology for synthesis of polystyrene and poly caprolactone microreactors. An aqueous suspension of carboxylated (1μm) polystyrene latex particles was mixed with toluene solution followed by freezing with liquid nitrogen. Freezed particles were incubated at -20°C and characterized for formation of voids on the surface of polymer microspheres by Field Emission Scanning Electron Microscope. The hollow particles were then overnight incubated at 40ºC with unfunctionalized quantum dots (QDs) in 5:1 ratio. QDs Encapsulated polystyrene microcapsules were characterized by fluorescence microscopy. Likewise Poly ε-caprolactone microreactors were prepared by micro-volcanic rupture of freeze dried microspheres synthesized using emulsification of polymer with aqueous Poly vinyl alcohol and freezed with liquid nitrogen. Microreactors were examined with Field Emission Scanning Electron Microscope for size and morphology. Current study is an attempt to create hollow polymer particles which can be employed for microencapsulation of nanoparticles and drug molecules.

Keywords: FE-SEM, Microreactors, Microvolcanic rupture, Poly (ε-caprolactone), Polystyrene

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Authors: M.R. Isvandzibaei, M.R. Alinaghizadeh, A.H. Zaman

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In the present work, study of the vibration of thin cylindrical shells made of a functionally gradient material (FGM) composed of stainless steel and nickel is presented. Material properties are graded in the thickness direction of the shell according to volume fraction power law distribution. The objective is to study the natural frequencies, the influence of constituent volume fractions and the effects of boundary conditions on the natural frequencies of the FG cylindrical shell. The study is carried out using third order shear deformation shell theory. The analysis is carried out using Hamilton's principle. The governing equations of motion of FG cylindrical shells are derived based on shear deformation theory. Results are presented on the frequency characteristics, influence of constituent volume fractions and the effects of clamped-free boundary conditions

Keywords: Vibration, FGM, cylindrical shell, Hamilton's principle, clamped supported.

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Authors: Homa Torabizadeh, Mohaddeseh Mikani

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Inulinase from Aspergillus niger was covalently immobilized on magnetic nanoparticles (MNPs/Fe₃O₄) covered with soy protein isolate (SPI/Fe₃O₄) functionalized by bovine serum albumin (BSA) nanoparticles. MNPs are promising enzyme carriers because they separate easily under external magnetic fields and have enhanced immobilized enzyme reusability. As MNPs aggregate simply, surface coating strategy was employed. SPI functionalized by BSA was a suitable candidate for nanomagnetite coating due to its superior biocompatibility and hydrophilicity. Fe₃O₄@SPI-BSA nanoparticles were synthesized as a novel carrier with narrow particle size distribution. Step by step fabrication monitoring of Fe₃O₄@SPI-BSA nanoparticles was performed using field emission scanning electron microscopy and dynamic light scattering. The results illustrated that nanomagnetite with the spherical morphology was well monodispersed with the diameter of about 35 nm. The average size of the SPI-BSA nanoparticles was 80 to 90 nm, and their zeta potential was around −34 mV. Finally, the mean diameter of fabricated Fe₃O₄@SPI-BSA NPs was less than 120 nm. Inulinase enzyme from Aspergillus niger was covalently immobilized through gluteraldehyde on Fe₃O₄@SPI-BSA nanoparticles successfully. Fourier transform infrared spectra and field emission scanning electron microscopy images provided sufficient proof for the enzyme immobilization on the nanoparticles with 80% enzyme loading.

Keywords: High fructose syrup, inulinase immobilization, functionalized magnetic nanoparticles, soy protein isolate.

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Authors: Hyun June Kim, Tailong Shi, Seden Akdagli, Sam Most, Yuling Yan

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Quantitative analyses of whisker movements provide a means to study functional recovery and regeneration of mouse facial nerve after an injury. However, accurate tracking of the mouse whisker movement is challenging. Most methods for whisker tracking require manual intervention, e.g. fixing the head of the mouse during a study. Here we describe a semi-automated image processing method, which is applied to high-speed video recordings of free-moving mice to track the whisker movements. We first track the head movement of a mouse by delineating the lower head contour frame-by-frame that allows for detection of the location and orientation of the head. Then, a region of interest is identified for each frame; the subsequent application of a mask and the Hough transform detects the selected whiskers on each side of the head. Our approach is used to examine the functional recovery of damaged facial nerves in mice over a course of 21 days.

Keywords: Mystacial macrovibrissae, whisker tracking, head tracking, facial nerve recovery.

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Authors: Prabh Preet Singh, Harpreet Kaur

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This paper presents a method for single image dehazing based on dark channel prior (DCP). The property that the intensity of the dark channel gives an approximate thickness of the haze is used to estimate the transmission and atmospheric light. Instead of constant atmospheric light, the proposed method employs scene depth to estimate spatially varying atmospheric light as it truly occurs in nature. Haze imaging model together with the soft matting method has been used in this work to produce high quality haze free image. Experimental results demonstrate that the proposed approach produces better results than the classic DCP approach as color fidelity and contrast of haze free image are improved and no over-saturation in the sky region is observed. Further, lifting Haar wavelet transform is employed to reduce overall execution time by a factor of two to three as compared to the conventional approach.

Keywords: Depth based atmospheric light, dark channel prior, lifting wavelet.

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Authors: Indunil Jayatilake, Warna Karunasena, Weena Lokuge

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An Australian manufacturer has fabricated an innovative GFRP sandwich panel made from E-glass fiber skin and a modified phenolic core for structural applications. Debonding, which refers to separation of skin from the core material in composite sandwiches, is one of the most common types of damage in composites. The presence of debonding is of great concern because it not only severely affects the stiffness but also modifies the dynamic behaviour of the structure. Generally it is seen that the majority of research carried out has been concerned about the delamination of laminated structures whereas skin-core debonding has received relatively minor attention. Furthermore it is observed that research done on composite slabs having multiple skin-core debonding is very limited. To address this gap, a comprehensive research investigating dynamic behaviour of composite panels with single and multiple debonding is presented. The study uses finite-element modelling and analyses for investigating the influence of debonding on free vibration behaviour of single and multilayer composite sandwich panels. A broad parametric investigation has been carried out by varying debonding locations, debonding sizes and support conditions of the panels in view of both single and multiple debonding. Numerical models were developed with Strand7 finite element package by innovatively selecting the suitable elements to diligently represent their actual behavior. Three-dimensional finite element models were employed to simulate the physically real situation as close as possible, with the use of an experimentally and numerically validated finite element model. Comparative results and conclusions based on the analyses are presented. For similar extents and locations of debonding, the effect of debonding on natural frequencies appears greatly dependent on the end conditions of the panel, giving greater decrease in natural frequency when the panels are more restrained. Some modes are more sensitive to debonding and this sensitivity seems to be related to their vibration mode shapes. The fundamental mode seems generally the least sensitive mode to debonding with respect to the variation in free vibration characteristics. The results indicate the effectiveness of the developed three dimensional finite element models in assessing debonding damage in composite sandwich panels.

Keywords: Debonding, free vibration behaviour, GFRP sandwich panels, three dimensional finite element modelling.

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Authors: Laith Jaafer Habeeb

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The present work is concerned with the free convective two dimensional flow and heat transfer, in isotropic fluid filled porous rectangular enclosure with differentially heated walls for steady state incompressible flow have been investigated for non- Darcy flow model. Effects of Darcy number (0.0001 £Da£ 10), Rayleigh number (10 £Ra£ 5000), and aspect ratio (0.25 £AR£ 4), for a range of porosity (0.4 £e£ 0.9) with and without moving lower wall have been studied. The cavity was insulated at the lower and upper surfaces. The right and left heated surfaces allows convective transport through the porous medium, generating a thermal stratification and flow circulations. It was found that the Darcy number, Rayleigh number, aspect ratio, and porosity considerably influenced characteristics of flow and heat transfer mechanisms. The results obtained are discussed in terms of the Nusselt number, vectors, contours, and isotherms.

Keywords: Numerical study, moving-wall cavity flow, saturated porous medium, different Darcy and Rayleigh numbers.

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Authors: Kh. A. Abdullin, N. B. Bakranov, S. E. Kudaibergenov, S.E. Kumekov, V. N. Ermolaev, L. V. Podrezova

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A facile vapour deposition method of synthesis of vertically aligned ZnO nanowires on carbon seed layer was developed. The received samples were investigated on electronic microscope JSM-6490 LA JEOL and x-ray diffractometer X, pert MPD PRO. The photoluminescence spectra (PL) of obtained ZnO samples at a room temperature were studied using He-Cd laser (325 nm line) as excitation source.

Keywords: ZnO nanowires, vapor-phase deposition, Nicatalytic layer, facile method of synthesis, carbon catalytic layer, thephotoluminescence spectra, X-ray spectrum.

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Authors: Lertchai Ratana-Arporn, Aphisith Angkhanit

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The objective of this study was to develop safety practices which is suitable for Thai industrial operators from Incident and Injury Free, IIF to create safety behavior and reduce the un-safe records in the petroleum industry. A number of 310 technicians i.e., 295 males and 15 females, in service maintenance section participated in this program. The safety attitude level and safety behavior level for pre-attended and post-attended the developed safety practices of the technicians were evaluated using questionnaire procedure and on-site observation. After applied the developed practice program, both of the safety attitudes and safety behavior were increased to be at very good level and good level, respectively. Evaluating the follow-up unsafe records, it was found that the injury was reduced from 0.11 to 0 case/month, the medical treatment case was reduced from 0.22 to 0 case/month and the first aid case was reduced from 1 to 0.33 case/month. The developed safety working practice was successfully implemented to Thai industrial operators.

Keywords: Incident and Injury Free, safety practices, Thai industrial operators, "WeCare".

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Authors: P. Paengkoum, A. Lukkananukool, S. Bureenok, Y. Kawamoto, Y. Imura, J. Mitchaothai, S. Paengkoum, S. Traiyakun

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The objective of this study was to investigate the effect of tropical forage source and feeding system on fatty acid composition and antioxidant activity in meat goats. Twenty male crossbred goats (Boer x Saanen), were included in the current study and the study design was assigned to be a 2 x 3 factorial in completely randomized design. All goats were slaughtered after 120 days of experimental period. Dietary tropical roughage sources were grass (Mulata II) and legume (Verano stylo). Both types of roughage were offered to the experimental meat goat as 3 feeding regimes; cut-and-carry, silage and grazing. All goats were fed basal concentrate diet at 1.5% of body weight, and they were fed ad libitum the roughages.Chemical composition, fatty acid profile and antioxidation activity of dietary treatments in all feeding system and longissimus dorsi (LD) muscles in all groups were quantified. The results have shown that the fat content in both types of studied roughage sources ranged from about 2.0% to 4.0% of DM and the fatty acid composition of those was mainly C16:0, C18:2n6 and C18:3n3, with less proportion for C18:1n9. The free-radical scavenging activity of the Mulato II was lower than that of the Verano stylo. The free-radical scavenging activity of the Mulato II was lower than that of the Verano stylo. For LD muscle, the fatty acid composition was mainly C16:0, C18:0 and C18:1n9, with less proportion for C18:2n6. The LD muscle of the goats fed with Mulato II and the Verano stylo by grazing had highest free-radical scavenging activity, compared to those fed with cut-and-carry and silage regime, although there were rather high unsaturated fatty acids in LD muscle. Thus, feeding the meat goats with the Mulato II and Verano stylo by grazing would be beneficial effect for consumers to intake high unsaturated fatty acids and lower risk for oxidation from goat meat.

Keywords: Feeding system, goat, CLA, meat.

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Authors: Yunxia Zhang, Jiti Zhou, Jianbo Guo, Xiuhong Zhang, Lihong Zhao, Shouzhi Yuan

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Novel nitrogen removal technologies via nitrite pathway attract increasing interest in recent years. In this study, batch experiments were performed to investigate nitrite accumulation characteristics and shifts in nitrifying community structure at different growth environments including ammonia concentration, pH and alkalinity. It was found that nitrite accumulation ratios were maintained at around 95% at studied conditions, and the optimum pH and Alk/N (ratio between alkalinity and nitrogen) for ammonium oxidization were 8.5 and 8.33, respectively. Fluorescence in situ hybridization analysis of nitrifying bacteria showed that high free ammonia (from influent ammonium or caused by high pH) significantly altered the structure of nitrifying community, leading to abundance of ammonia-oxidizing bacteria (AOB), especially Nitrososmonas, and inhibition of nitrite-oxidizing bacteria (NOB). The results suggest that free ammonia plays more important role than other studied conditions on nitrite accumulation.

Keywords: Partial nitrification, Nitrite accumulation, Nitrifyingbacteria, Fluorescence in situ hybridization (FISH).

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Authors: Ahmed M. Farag, Wael F. Mohamed, Atef A. Ata, Burhamy M. Burhamy

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The main objective of the present paper is to derive an easy numerical technique for the analysis of the free vibration through the stepped regions of plates. Based on the utilities of the step by step integration initial values IV and Finite differences FD methods, the present improved Initial Value Finite Differences (IVFD) technique is achieved. The first initial conditions are formulated in convenient forms for the step by step integrations while the upper and lower edge conditions are expressed in finite difference modes. Also compatibility conditions are created due to the sudden variation of plate thickness. The present method (IVFD) is applied to solve the fourth order partial differential equation of motion for stepped plate across two different panels under the sudden step compatibility in addition to different types of end conditions. The obtained results are examined and the validity of the present method is proved showing excellent efficiency and rapid convergence.

Keywords: Vibrations, Step by Step Integration, Stepped plate, Boundary.

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Authors: Dhananjay C. Joshi, Jung-Hsin Lin

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Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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Authors: Tanveer A. Khan, Xue Y. Deng, Yan K. Wang, Xu Si-Wen

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Experiments have been carried out at sub-critical Reynolds number to investigate free-to-roll motions induced by forebody and/or wings complex flow on a 30° swept back nonslender wings-slender body-model for static and dynamic (pitch-up) cases. For the dynamic (pitch-up) case it has been observed that roll amplitude decreases and lag increases with increase in pitching speed. Decrease in roll amplitude with increase in pitch rate is attributed to low disturbing rolling moment due to weaker interaction between forebody and wing flow components. Asymmetric forebody vortices dominate and control the roll motion of the model in dynamic case when non-dimensional pitch rate ≥ 1x10-2. Effectiveness of the active control scheme utilizing rotating nose with artificial tip perturbation is observed to be low in the angle of attack region where the complex flow over the wings has contributions from both forebody and wings.

Keywords: Artificial Tip Perturbation, ExperimentalInvestigations, Forebody Asymmetric Vortices, Non-slender Wings-Body Model, Wing Rock

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Authors: A. Alshebani, Y. Swesi, S. Mrayed, F. Altaher

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This paper present some preliminary work on the preparation and physicochemical caracterization of nanocomposite MFI-alumina structures based on alumina hollow fibres. The fibers are manufactured by a wet spinning process. α-alumina particles were dispersed in a solution of polysulfone in NMP. The resulting slurry is pressed through the annular gap of a spinneret into a precipitation bath. The resulting green fibres are sintered. The mechanical strength of the alumina hollow fibres is determined by a three-point-bending test while the pore size is characterized by bubble-point testing. The bending strength is in the range of 110 MPa while the average pore size is 450 nm for an internal diameter of 1 mm and external diameter of 1.7 mm. To characterize the MFI membranes various techniques were used for physicochemical characterization of MFI–ceramic hollow fibres membranes: The nitrogen adsorption, X-ray diffractometry, scanning electron microscopy combined with X emission microanalysis. Scanning Electron Microscopy (SEM) and Energy Dispersive Microanalysis by the X-ray were used to observe the morphology of the hollow fibre membranes (thickness, infiltration into the carrier, defects, homogeneity). No surface film, has been obtained, as observed by SEM and EDX analysis and confirmed by high temperature variation of N2 and CO2 gas permeances before cation exchange. Local analysis and characterise (SEM and EDX) and overall (by ICP elemental analysis) were conducted on two samples exchanged to determine the quantity and distribution of the cation of cesium on the cross section fibre of the zeolite between the cavities.

Keywords: Physicochemical characterization of MFI, Ceramic hollow fibre, CO2, Ion-exchange.

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Authors: M. M. Selim

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The paper discuses the effect of initial stresses on the reflection coefficients of plane waves in a dissipative medium. Basic governing equations are formulated in context of Biot's incremental deformation theory. These governing equations are solved analytically to obtain the dimensional phase velocities of plane waves propagating in plane of symmetry. Closed-form expressions for the reflection coefficients of P and SV waves- incident at the free surface of an initially stressed dissipative medium are obtained. Numerical computations, using these expressions, are carried out for a particular model. Computations made with the results predicted in presence and absence of the initial stresses and the results have been shown graphically. The study shows that the presence of compressive initial stresses increases the velocity of longitudinal wave (P-wave) but diminishes that of transverse wave (SV-wave). Also the numerical results presented indicate that initial stresses and dissipation might affect the reflection coefficients significantly.

Keywords: Dissipation medium, initial stress, longitudinal waves, reflection coefficients, reflection of plane waves, transverse waves.

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Authors: Abbul B. Khan, Neeraj Dohare, Rajan Patel

Abstract:

The mixed micellization of adiphenine hydrochloride (ADP) with 1-decyl-3-methylimidazolium chloride (C10mim.Cl), was investigated at different mole fractions and temperatures by surface tension measurements. The synergistic behavior (i.e., non-ideal behavior) for binary mixtures was explained by the deviation of critical micelle concentration (cmc) from ideal critical micelle concentration (cmc*), micellar mole fraction (Xim) from ideal micellar mole fraction (Xiideal), the values of interaction parameter (β) and activity coefficients (fi) (for both mixed micelles and mixed monolayer). The excess free energy (ΔGex) for the ADP- C10mim.Cl binary mixtures explain the stability of mixed micelles in comparison to micelles of pure ADP and C10mim.Cl. Interfacial parameters, i.e., Gibbs surface excess (Гmax), minimum head group area at air/ water interface (Amin), and free energy of micellization (ΔG0m) were also evaluated for the systems.

Keywords: Adiphenine hydrochloride, Critical micelle concentration, Interaction parameter, Activity coefficient.

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Authors: Youssef Khmou, Said Safi, Miloud Frikel

Abstract:

Diffraction grating is periodic module used in many engineering fields, its geometrical conception gives interesting properties of diffraction and interferences, a uniform and periodic diffraction grating consists of a number of identical apertures that are equally spaced, in this case, the amplitude of intensity distribution in the far field region is generally modulated by diffraction pattern of single aperture. In this paper, we study the case of aperiodic diffraction grating with identical rectangular apertures where theirs coordinates are modeled by square root function, we elaborate a computer simulation comparatively to the periodic array with same length and we discuss the numerical results.

Keywords: Diffraction grating, interferences, amplitude modulation, laser.

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Authors: I.Banerjee, A.K.Mahendra, T.K.Bera, B.G.Chandresh

Abstract:

The scroll pump belongs to the category of positive displacement pump can be used for continuous pumping of gases at low pressure apart from general vacuum application. The shape of volume occupied by the gas moves and deforms continuously as the spiral orbits. To capture flow features in such domain where mesh deformation varies with time in a complicated manner, mesh less solver was found to be very useful. Least Squares Kinetic Upwind Method (LSKUM) is a kinetic theory based mesh free Euler solver working on arbitrary distribution of points. Here upwind is enforced in molecular level based on kinetic flux vector splitting scheme (KFVS). In the present study we extended the LSKUM to moving node viscous flow application. This new code LSKUM-NS-MN for moving node viscous flow is validated for standard airfoil pitching test case. Simulation performed for flow through scroll pump using LSKUM-NS-MN code agrees well with the experimental pumping speed data.

Keywords: Least Squares, Moving node, Pitching, Spirals.

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Authors: M. Rahimnejad, B. Vahidi, B. Ebrahimi Hoseinzadeh, F. Yazdian, P. Motamed Fath, R. Jamjah

Abstract:

In this study, we developed and simulated nano-drug delivery systems efficacy in compare to free drug prescription. Computational models can be utilized to accelerate experimental steps and control the experiments high cost. Molecular dynamics simulation (MDS), in particular NAMD was utilized to better understand the anti-cancer drug interaction with cell membrane model. Paclitaxel (PTX) and dipalmitoylphosphatidylcholine (DPPC) were selected for the drug molecule and as a natural phospholipid nanocarrier, respectively. This work focused on two important interaction parameters between molecules in terms of center of mass (COM) and van der Waals interaction energy. Furthermore, we compared the simulation results of the PTX interaction with the cell membrane and the interaction of DPPC as a nanocarrier loaded by the drug with the cell membrane. The molecular dynamic analysis resulted in low energy between the nanocarrier and the cell membrane as well as significant decrease of COM amount in the nanocarrier and the cell membrane system during the interaction. Thus, the drug vehicle showed notably better interaction with the cell membrane in compared to free drug interaction with the cell membrane.

Keywords: Anti-cancer drug, center of Mass, interaction energy, molecular dynamics simulation, nanocarrier.

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