Search results for: binding free energies

Authors: Saadia Adjali, Omar Imine, Mohammed Aounallah, Mustapha Belkadi

Abstract:

Steady three-dimensional and two free surface waves generated by moving bodies are presented, the flow problem to be simulated is rich in complexity and poses many modeling challenges because of the existence of breaking waves around the ship hull, and because of the interaction of the two-phase flow with the turbulent boundary layer. The results of several simulations are reported. The first study was performed for NACA0012 of hydrofoil with different meshes, this section is analyzed at h/c= 1, 0345 for 2D. In the second simulation a mathematically defined Wigley hull form is used to investigate the application of a commercial CFD code in prediction of the total resistance and its components from tangential and normal forces on the hull wetted surface. The computed resistance and wave profiles are used to estimate the coefficient of the total resistance for Wigley hull advancing in calm water under steady conditions. The commercial CFD software FLUENT version 12 is used for the computations in the present study. The calculated grid is established using the code computer GAMBIT 2.3.26. The shear stress k-ωSST model is used for turbulence modeling and the volume of fluid technique is employed to simulate the free-surface motion. The second order upwind scheme is used for discretizing the convection terms in the momentum transport equations, the Modified HRIC scheme for VOF discretization. The results obtained compare well with the experimental data.

Keywords: Free surface flows, Breaking waves, Boundary layer, Wigley hull, Volume of fluid.

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Authors: Saadia Adjali, Omar Imine, Mohammed Aounallah, Mustapha Belkadi

Abstract:

Steady three-dimensional and two free surface waves generated by moving bodies are presented, the flow problem to be simulated is rich in complexity and poses many modeling challenges because of the existence of breaking waves around the ship hull, and because of the interaction of the two-phase flow with the turbulent boundary layer. The results of several simulations are reported. The first study was performed for NACA0012 of hydrofoil with different meshes, this section is analyzed at h/c= 1, 0345 for 2D. In the second simulation a mathematically defined Wigley hull form is used to investigate the application of a commercial CFD code in prediction of the total resistance and its components from tangential and normal forces on the hull wetted surface. The computed resistance and wave profiles are used to estimate the coefficient of the total resistance for Wigley hull advancing in calm water under steady conditions. The commercial CFD software FLUENT version 12 is used for the computations in the present study. The calculated grid is established using the code computer GAMBIT 2.3.26. The shear stress k-ωSST model is used for turbulence modeling and the volume of fluid technique is employed to simulate the free-surface motion. The second order upwind scheme is used for discretizing the convection terms in the momentum transport equations, the Modified HRIC scheme for VOF discretization. The results obtained compare well with the experimental data.

Keywords: Free surface flows, breaking waves, boundary layer, Wigley hull, volume of fluid.

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Authors: Michelle J. Miller

Abstract:

Millions of girls are forcibly married during the transitional period between puberty and adulthood. At a stage of vulnerability cultural practices, religious rights and social standards place her in a position where she is catapult into womanhood. An advocate against forced child marriage could argue that child rights, cultural rights, religious rights, right to marry, right to life, right to health, right to education, right to be free from slavery, right to be free from torture, right to consent to marriage are all violated by the practice of child marriage. The author is this advocate and this paper will present how some of these rights are violated and establish the need for change.

Keywords: Child marriage, forced child marriage, child rights, protection, religious rights, cultural rights, right to life, human rights.

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Authors: Sreenivasa Rao Parcha, Lakshmi P

Abstract:

Artemisinin is a potential antimalarial drug effective against the multidrug resistant forms of Malarial Parasites. The current production of artemisinin is insufficient to meet the global demand. In the present study microbial biotransformation of arteannuin B, a biogenetic precursor of artemisinin to the later has been investigated. Screening studies carried out on several soil borne microorganisms have yielded one novel species with the bioconversion ability. Crude cell free extract of 72h old culture of the isolate had shown the bioconversion activity. On incubation with the substrate arteannuin B, crude cell free extract of the isolate had shown a bioconversion of 18.54% to artemisinin on molar basis with a specific activity of 0.18 units/mg.

Keywords: Arteannuin-B, Artemisia annua, Artemisinin, Bioconversion

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Authors: Jia-Jang Wu

Abstract:

This paper presents the scaling laws that provide the criteria of geometry and dynamic similitude between the full-size rotor-shaft system and its scale model, and can be used to predict the torsional vibration characteristics of the full-size rotor-shaft system by manipulating the corresponding data of its scale model. The scaling factors, which play fundamental roles in predicting the geometry and dynamic relationships between the full-size rotor-shaft system and its scale model, for torsional free vibration problems between scale and full-size rotor-shaft systems are firstly obtained from the equation of motion of torsional free vibration. Then, the scaling factor of external force (i.e., torque) required for the torsional forced vibration problems is determined based on the Newton’s second law. Numerical results show that the torsional free and forced vibration characteristics of a full-size rotor-shaft system can be accurately predicted from those of its scale models by using the foregoing scaling factors. For this reason, it is believed that the presented approach will be significant for investigating the relevant phenomenon in the scale model tests.

Keywords: Torsional vibration, full-size model, scale model, scaling laws.

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Authors: S.Asadi, H.Panahi

Abstract:

The Navier–Stokes equations for unsteady, incompressible, viscous fluids in the axisymmetric coordinate system are solved using a control volume method. The volume-of-fluid (VOF) technique is used to track the free-surface of the liquid. Model predictions are in good agreement with experimental measurements. It is found that the dynamic processes after impact are sensitive to the initial droplet velocity and the liquid pool depth. The time evolution of the crown height and diameter are obtained by numerical simulation. The critical We number for splashing (Wecr) is studied for Oh (Ohnesorge) numbers in the range of 0.01~0.1; the results compares well with those of the experiments.

Keywords: Droplet impingement, free surface flows, liquid crown, numerical simulation, thin liquid film.

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Authors: S. Veera Ragavan, V. Ganapathy

Abstract:

Many environment specific methods and systems for Robot Navigation exist. However vast strides in the evolution of navigation technologies and system techniques create the need for a general unified framework that is scalable, modular and dynamic. In this paper a Unified Framework for a Robust Conflict-free Robot Navigation System that can be used for either a structured or unstructured and indoor or outdoor environments has been proposed. The fundamental design aspects and implementation issues encountered during the development of the module are discussed. The results of the deployment of three major peripheral modules of the framework namely the GSM based communication module, GIS Module and GPS module are reported in this paper.

Keywords: Localization, Sensor Fusion, Mapping, GIS, GPS, and Autonomous Mobile Robot Navigation.

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Authors: Tai Yuan Yu, Pei-Jen Wang

Abstract:

Oil-free turbomachinery is considered one of the critical technologies for future green power generation systems as rotor machinery systems. Oil-free technology allows clean, compact, and maintenance-free working, and gas foil bearings (GFBs) are important for the technology. Since the first applications in the auxiliary power units and air cycle machines in the 1970s, obvious improvement has been created to the computational models for dynamic rotor behavior. However, many technical issues are still poorly understood or remain unsolved, and some of those are thermal management and the pattern of how pressure will be distributed in bearing clearance. This paper presents a three-dimensional (3D) fluid-structure interaction model of single pad foil bearings and three pad foil bearings to predict bearing working behavior that researchers could compare characteristics of those. The coupling analysis model involves dynamic working characteristics applied to all the gas film and mechanical structures. Therefore, the elastic deformation of foil structure and the hydrodynamic pressure of gas film can both be calculated by a finite element method program. As a result, the temperature distribution pattern could also be iteratively solved by coupling analysis. In conclusion, the working fluid state in a gas film of various pad forms of bearings working characteristic at constant rotational speed for both can be solved for comparisons with the experimental results.

Keywords: Fluid structure interaction multi-physics simulations, gas foil bearing, oil-free, transient thermohydrodynamic.

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Authors: Manisha Chaudhary, Joydip Dhar, Govind Prasad Sahu

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A mathematical model is proposed considering the forest biomass density B(t), density of wood based industries W(t) and density of synthetic industries S(t). It is assumed that the forest biomass grows logistically in the absence of wood based industries, but depletion of forestry biomass is due to presence of wood based industries. The growth of wood based industries depends on B(t), while S(t) grows at a constant rate, independent of B(t). Further there is a competition between W(t) and S(t) according to market demand. The proposed model has four ecologically feasible steady states, namely, E1: forest biomass free and wood industries free equilibrium; E2: wood industries free equilibrium and two coexisting equilibria E∗1 , E∗2 . Behavior of the system near all feasible equilibria is analyzed using the stability theory of differential equations. In the proposed model, the natural depletion rate h1 is a crucial parameter and system exhibits Hopf-bifurcation about the non-trivial equilibrium with respect to h1. The analytical results are verified using numerical simulation.

Keywords: A mathematical model, Competition between wood based and synthetic industries, Hopf-bifurcation, Stability analysis.

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Authors: R. S. A. Nesbitt, J. Macione, A. Debroy, S. P. Kotha

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Bones are dynamic and responsive organs, they regulate their strength and mass according to the loads which they are subjected. Because, the Wnt/β-catenin pathway has profound effects on the regulation of bone mass, we hypothesized that mechanical loading of bone cells stimulates Wnt/β-catenin signaling, which results in the generation of new bone mass. Mechanical loading triggers the secretion of the Wnt molecule, which after binding to transmembrane proteins, causes GSK-3β (Glycogen synthase kinase 3 beta) to cease the phosphorylation of β-catenin. β-catenin accumulation in the cytoplasm, followed by its transport into the nucleus, binding to transcription factors (TCF/LEF) that initiate transcription of genes related to bone formation. To test this hypothesis, we used TOPGAL (Tcf Optimal Promoter β-galactosidase) mice in an experiment in which cyclic loads were applied to the forearm. TOPGAL mice are reporters for cells effected by the Wnt/β-catenin signaling pathway. TOPGAL mice are genetically engineered mice in which transcriptional activation of β- catenin, results in the production of an enzyme, β-galactosidase. The presence of this enzyme allows us to localize transcriptional activation of β-catenin to individual cells, thereby, allowing us to quantify the effects that mechanical loading has on the Wnt/β-catenin pathway and new bone formation. The ulnae of loaded TOPGAL mice were excised and transverse slices along different parts of the ulnar shaft were assayed for the presence of β-galactosidase. Our results indicate that loading increases β-catenin transcriptional activity in regions where this pathway is already primed (i.e. where basal activity is already higher) in a load magnitude dependent manner. Further experiments are needed to determine the temporal and spatial activation of this signaling in relation to bone formation.

Keywords: Bone Resorption and Formation, Mechanical Loading of Bone, Wnt Signaling Pathway & β-catenin.

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Authors: M. Kumpugdee-Vollrath, J.-P. Krause, S. Bürk

Abstract:

Most of the drugs used for pharmaceutical purposes are poorly water-soluble drugs. About 40% of all newly discovered drugs are lipophilic and the numbers of lipophilic drugs seem to increase more and more. Drug delivery systems such as nanoparticles, micelles or liposomes are applied to improve their solubility and thus their bioavailability. Besides various techniques of solubilization, oil-in-water emulsions are often used to incorporate lipophilic drugs into the oil phase. To stabilize emulsions surface active substances (surfactants) are generally used. An alternative method to avoid the application of surfactants was of great interest. One possibility is to develop O/W-emulsion without any addition of surface active agents or the so called “surfactant-free emulsion or SFE”. The aim of this study was to develop and characterize SFE as a drug carrier by varying the production conditions. Lidocaine base was used as a model drug. The injection method was developed. Effects of ultrasound as well as of temperature on the properties of the emulsion were studied. Particle sizes and release were determined. The long-term stability up to 30 days was performed. The results showed that the surfactant-free O/W emulsions with pharmaceutical oil as drug carrier can be produced.

Keywords: Emulsion, lidocaine, Miglyol, size, surfactant, light scattering, release, injection, ultrasound, stability.

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Authors: Ilya Popov, Steven Hulshoff

Abstract:

A numerical investigation of the effects of nanosecond barrier discharge on the stability of a two-dimensional free shear layer is performed. The computations are carried out using a compressible Navier-Stokes algorithm coupled with a thermodynamic model of the discharge. The results show that significant increases in the shear layer-s momentum thickness and Reynolds stresses occur due to actuation. Dependence on both frequency and amplitude of actuation are considered, and a comparison is made of the computed growth rates with those predicted by linear stability theory. Amplitude and frequency ranges for the efficient promotion of shear-layer instabilities are identified.

Keywords: NS-DBD, plasma, actuator, flow control, instability, shear layer

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Authors: Shima Fasahat

Abstract:

This research is an experimental research which was done about microbial fuel cells in order to study them for electricity generating and wastewater treatment. These days, it is very important to find new, clean and sustainable ways for energy supplying. Because of this reason there are many researchers around the world who are studying about new and sustainable energies. There are different ways to produce these kind of energies like: solar cells, wind turbines, geothermal energy, fuel cells and many other ways. Fuel cells have different types one of these types is microbial fuel cell. In this research, an MFC was built in order to study how it can be used for electricity generating and wastewater treatment. The microbial fuel cell which was used in this research is a reactor that has two tanks with a catalyst solution. The chemical reaction in microbial fuel cells is a redox reaction. The microbial fuel cell in this research is a two chamber MFC. Anode chamber is an anaerobic one (ABR reactor) and the other chamber is a cathode chamber. Anode chamber consists of stabilized sludge which is the source of microorganisms that do redox reaction. The main microorganisms here are: Propionibacterium and Clostridium. The electrodes of anode chamber are graphite pages. Cathode chamber consists of graphite page electrodes and catalysts like: O₂, KMnO₄ and C₆N₆FeK₄. The membrane which separates the chambers is Nafion117. The reason of choosing this membrane is explained in the complete paper. The main goal of this research is to generate electricity and treating wastewater. It was found that when you use electron receptor compounds like: O_2, MnO₄, C₆N₆FeK₄ the velocity of electron receiving speeds up and in a less time more current will be achieved. It was found that the best compounds for this purpose are compounds which have iron in their chemical formula. It is also important to pay attention to the amount of nutrients which enters to bacteria chamber. By adding extra nutrients in some cases the result will be reverse.  By using ABR the amount of chemical oxidation demand reduces per day till it arrives to a stable amount.

Keywords: Anaerobic baffled reactor, bioenergy, electrode, energy efficient, microbial fuel cell, renewable chemicals, sustainable.

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Authors: Zdenek Kolka, Otakar Wilfert, Viera Biolkova

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The paper deals with an analysis of visibility records collected from 210 European airports to obtain a realistic estimation of the availability of Free Space Optical (FSO) data links. Commercially available optical links usually operate in the 850nm waveband. Thus the influence of the atmosphere on the optical beam and on the visible light is similar. Long-term visibility records represent an invaluable source of data for the estimation of the quality of service of FSO links. The model used characterizes both the statistical properties of fade depths and the statistical properties of individual fade durations. Results are presented for Italy, France, and Germany.

Keywords: Computer networks, free-space optical links, meteorology, quality of service.

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Authors: Seteno K. O. Ntwampe, Bruno A. Q. Santos

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Different agricultural waste peels were assessed for their suitability to be used as primary substrates for the bioremediation of free cyanide (CN-) by a cyanide-degrading fungus Aspergillus awamori isolated from cyanide containing wastewater. The bioremediated CN- concentration were in the range of 36 to 110 mg CN-/L, with Orange (C. sinensis) > Carrot (D. carota) > Onion (A. cepa) > Apple (M. pumila), being chosen as suitable substrates for large scale CN- degradation processes due to: 1) the high concentration of bioremediated CN-, 2) total reduced sugars released into solution to sustain the biocatalyst, and 3) minimal residual NH4- N concentration after fermentation. The bioremediation rate constants (k) were 0.017h-1 (0h < t < 24h), with improved bioremediation rates (0.02189h-1) observed after 24h. The averaged nitrilase activity was ~10 U/L.

Keywords: Agricultural waste, Bioremediation, Cyanide, Wastewater.

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Authors: Orkide Donma, Mustafa M. Donma

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Obesity is associated with increased fat mass as well as fat percentage. Minerals are the elements, which are of vital importance. In this study, the relationships between body as well as bone mineral profile and the percentage as well as mass values of fat, fat-free portion, protein, skeletal muscle were evaluated in adult men with normal body mass index (N-BMI), and those classified according to different stages of obesity. A total of 103 adult men classified into five groups participated in this study. Ages were within 19-79 years range. Groups were N-BMI (Group 1), overweight (OW) (Group 2), first level of obesity (FLO) (Group 3), second level of obesity (SLO) (Group 4) and third level of obesity (TLO) (Group 5). Anthropometric measurements were performed. BMI values were calculated. Obesity degree, total body fat mass, fat percentage, basal metabolic rate (BMR), visceral adiposity, body mineral mass, body mineral percentage, bone mineral mass, bone mineral percentage, fat-free mass, fat-free percentage, protein mass, protein percentage, skeletal muscle mass and skeletal muscle percentage were determined by TANITA body composition monitor using bioelectrical impedance analysis technology. Statistical package (SPSS) for Windows Version 16.0 was used for statistical evaluations. The values below 0.05 were accepted as statistically significant. All the groups were matched based upon age (p > 0.05). BMI values were calculated as 22.6 ± 1.7 kg/m², 27.1 ± 1.4 kg/m², 32.0 ± 1.2 kg/m², 37.2 ± 1.8 kg/m², and 47.1 ± 6.1 kg/m² for groups 1, 2, 3, 4, and 5, respectively. Visceral adiposity and BMR values were also within an increasing trend. Percentage values of mineral, protein, fat-free portion and skeletal muscle masses were decreasing going from normal to TLO. Upon evaluation of the percentages of protein, fat-free portion and skeletal muscle, statistically significant differences were noted between NW and OW as well as OW and FLO (p < 0.05). However, such differences were not observed for body and bone mineral percentages. Correlation existed between visceral adiposity and BMI was stronger than that detected between visceral adiposity and obesity degree. Correlation between visceral adiposity and BMR was significant at the 0.05 level. Visceral adiposity was not correlated with body mineral mass but correlated with bone mineral mass whereas significant negative correlations were observed with percentages of these parameters (p < 0.001). BMR was not correlated with body mineral percentage whereas a negative correlation was found between BMR and bone mineral percentage (p < 0.01). It is interesting to note that mineral percentages of both body as well as bone are highly affected by the visceral adiposity. Bone mineral percentage was also associated with BMR. From these findings, it is plausible to state that minerals are highly associated with the critical stages of obesity as prominent parameters.

Keywords: Bone, men, minerals, obesity.

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Authors: Sohrab Mahmoodi, Ali Rahimi

Abstract:

The critical period for weed control (CPWC) is the period in the crop growth cycle during which weeds must be controlled to prevent unacceptable yield losses. Field studies were conducted in 2005 and 2006 in the University of Birjand at the south east of Iran to determine CPWC of corn using a randomized complete block design with 14 treatments and four replications. The treatments consisted of two different periods of weed interference, a critical weed-free period and a critical time of weed removal, were imposed at V3, V6, V9, V12, V15, and R1 (based on phonological stages of corn development) with a weedy check and a weed-free check. The CPWC was determined with the use of 2.5, 5, 10, 15 and 20% acceptable yield loss levels by non-linear Regression method and fitting Logistic and Gompertz nonlinear equations to relative yield data. The CPWC of corn was from 5- to 15-leaf stage (19-55 DAE) to prevent yield losses of 5%. This period to prevent yield losses of 2.5, 10 and 20% was 4- to 17-leaf stage (14-59 DAE), 6- to 12-leaf stage (25-47 DAE) and 8- to 9-leaf stage (31-36 DAE) respectively. The height and leaf area index of corn were significantly decreased by weed competition in both weed free and weed infested treatments (P<0.01). Results also showed that there was a significant positive correlation between yield and LAI of corn at silk stage when competing with weeds (r= 0.97).

Keywords: Corn, Critical period, Gompertz, Logistic, Weed control.

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Authors: Virupakshaiah DBM, Chandrakanth Kelmani, Rachanagouda Patil, Prasad Hegade

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Severe acute respiratory syndrome (SARS) is a respiratory disease in humans which is caused by the SARS coronavirus. The treatment of coronavirus-associated SARS has been evolving and so far there is no consensus on an optimal regimen. The mainstream therapeutic interventions for SARS involve broad-spectrum antibiotics and supportive care, as well as antiviral agents and immunomodulatory therapy. The Protein- Ligand interaction plays a significant role in structural based drug designing. In the present work we have taken the receptor Angiotensin converting enzyme 2 and identified the drugs that are commonly used against SARS. They are Lopinavir, Ritonavir, Ribavirin, and Oseltamivir. The receptor Angiotensin converting enzyme 2 (ACE-2) was docked with above said drugs and the energy value obtained are as follows, Lopinavir (-292.3), Ritonavir (-325.6), Oseltamivir (- 229.1), Ribavirin (-208.8). Depending on the least energy value we have chosen the best two drugs out of the four conventional drugs. We tried to improve the binding efficiency and steric compatibility of the two drugs namely Ritonavir and Lopinavir. Several modifications were made to the probable functional groups (phenylic, ketonic groups in case of Ritonavir and carboxylic groups in case of Lopinavir respectively) which were interacting with the receptor molecule. Analogs were prepared by Marvin Sketch software and were docked using HEX docking software. Lopinavir analog 8 and Ritonavir analog 11 were detected with significant energy values and are probable lead molecule. It infers that some of the modified drugs are better than the original drugs. Further work can be carried out to improve the steric compatibility of the drug based upon the work done above for a more energy efficient binding of the drugs to the receptor.

Keywords: Protein data bank, Rasmol, Marvin sketch, Hexdocking.

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Authors: Y.Bakhshan, H.Ashoori

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In this research, a 2-D computational analysis of steady state free convection in a rectangular enclosure filled with an electrically conducting fluid under Effect of Magnetic Field has been performed. The governing equations (mass, momentum, and energy) are formulated and solved by a finite volume method (FVM) subjected to different boundary conditions. A parametric study has been conducted to consider the influence of Grashof number (Gr), Prantdl number (Pr) and the orientation of magnetic field on the flow and heat transfer characteristics. It is observed that Nusselt number (Nu) and heat flux will increase with increasing Grashof and Prandtl numbers and decreasing the slope of the orientation of magnetic field.

Keywords: Rectangular Cavity, magneto-hydrodynamic, free convection, simulation

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Authors: Malka N. Halgamuge, Chathurika D. Abeyratne, Priyan Mendis

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A fundamental model consisting of charged particles moving in free space exposed to alternating and direct current (ACDC) electromagnetic fields is analyzed. Effects of charged particles initial position and initial velocity to cyclotron resonance frequency are observed. Strong effects are observed revealing that effects of electric and magnetic fields on a charged particle in free space varies with the initial conditions. This indicates the frequency where maximum displacement occur can be changed. At this frequency the amplitude of oscillation of the particle displacement becomes unbounded.

Keywords: Cyclotron resonance, electromagnetic fields, particle displacement

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Authors: Shuzhen Yao, Fengjing Zhao, Jianwei He

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The UML modeling of complex distributed systems often is a great challenge due to the large amount of parallel real-time operating components. In this paper the problems of verification of such systems are discussed. ECPN, an Extended Colored Petri Net is defined to formally describe state transitions of components and interactions among components. The relationship between sequence diagrams and Free Choice Petri Nets is investigated. Free Choice Petri Net theory helps verifying the liveness of sequence diagrams. By converting sequence diagrams to ECPNs and then comparing behaviors of sequence diagram ECPNs and statecharts, the consistency among models is analyzed. Finally, a verification process for an example model is demonstrated.

Keywords: Consistency, liveness, Petri Net, sequence diagram.

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Authors: Chang-Bin Huang, Fu-Kuang Ko

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Taiwan was the first country in Asia to announce “Nuclear-Free Homeland" in 2002. In 2008, the new government released the Sustainable Energy Policy Guidelines to lower the nationwide CO2 emissions some time between 2016 and 2020 back to the level of year 2008, further abatement of CO2 emissions is planed in year 2025 when CO2 emissions will decrease to the level of year 2000. Besides, under consideration of the issues of energy, environment and economics (3E), the new government declared that the nuclear power is a carbon-less energy option. This study analyses the effects of nuclear power generation for CO2 abatement scenarios in Taiwan. The MARKAL-MACRO energy model was adopted to evaluate economic impacts and energy deployment due to life extension of existing nuclear power plants and build new nuclear power units in CO2 abatement scenarios. The results show that CO2 abatement effort is expensive. On the other hand, nuclear power is a cost-effective choice. The GDP loss rate in the case of building new nuclear power plants is around two thirds of the Nuclear-Free Homeland case. Nuclear power generation has the capacity to provide large-scale CO2 free electricity. Therefore, the results show that nuclear power is not only an option for Taiwan, but also a requisite for Taiwan-s CO2 reduction strategy.

Keywords: Energy model, CO2 abatement, nuclear power, economic impacts.

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Authors: Wu Di, Yeo Khoon Seng, Lim Tee Tai

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The typical insects employ a flapping-wing mode of flight. The numerical simulations on free flight of a model fruit fly (Re=143) including hovering and are presented in this paper. Unsteady aerodynamics around a flapping insect is studied by solving the three-dimensional Newtonian dynamics of the flyer coupled with Navier-Stokes equations. A hybrid-grid scheme (Generalized Finite Difference Method) that combines great geometry flexibility and accuracy of moving boundary definition is employed for obtaining flow dynamics. The results show good points of agreement and consistency with the outcomes and analyses of other researchers, which validate the computational model and demonstrate the feasibility of this computational approach on analyzing fluid phenomena in insect flight. The present modeling approach also offers a promising route of investigation that could complement as well as overcome some of the limitations of physical experiments in the study of free flight aerodynamics of insects. The results are potentially useful for the design of biomimetic flapping-wing flyers.

Keywords: Free hovering flight, flapping wings, fruit fly, insect aerodynamics, leading edge vortex (LEV), computational fluid dynamics (CFD), Navier-Stokes equations (N-S), fluid structure interaction (FSI), generalized finite-difference method (GFD).

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Authors: Rahmatollah Rahimi, Fariba Moharrami

Abstract:

The Kinetics formation of labile Complex Ag (I) tetra (p-carboxyphenyl) porphyrin, was investigated at 25oC and I=0.1M (NaNO3). By spectrophotometric titration, the composition ratio of the complex was established to be 2:1 (Ag : H2TCPP). The equilibrium constant, K, was found to be log 10-6.53. Binding of the first Ag (I) was found to be rate determining step with rate constant, k1= 4.67×102 . A plausible mechanism is discussed. We discus theoretically why Ag(I)2TCPP is unstable.

Keywords: Kinetics, Silver, TCPP, Sitting-atop, Theoretical study

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Authors: J. J. Peña, J. Morales, J. García-Ravelo, L. Arcos-Díaz

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The Point canonical transformation method is applied for solving the Schrödinger equation with position-dependent mass. This class of problem has been solved for continuous mass distributions. In this work, a staggered mass distribution for the case of a free particle in an infinite square well potential has been proposed. The continuity conditions as well as normalization for the wave function are also considered. The proposal can be used for dealing with other kind of staggered mass distributions in the Schrödinger equation with different quantum potentials.

Keywords: Free particle, point canonical transformation method, position-dependent mass, staggered mass distribution.

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Authors: Abdul Rahman Mohd Kasim, Mohd Ariff Admon, Sharidan Shafie

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The present paper considers the steady free convection boundary layer flow of a viscoelastics fluid with constant temperature in the presence of heat generation. The boundary layer equations are an order higher than those for the Newtonian (viscous) fluid and the adherence boundary conditions are insufficient to determine the solution of these equations completely. The governing boundary layer equations are first transformed into non-dimensional form by using special dimensionless group. Computations are performed numerically by using Keller-box method by augmenting an extra boundary condition at infinity and the results are displayed graphically to illustrate the influence of viscoelastic K, heat generation γ , and Prandtl Number, Pr parameters on the velocity and temperature profiles. The results of the surface shear stress in terms of the local skin friction and the surface rate of heat transfer in terms of the local Nusselt number for a selection of the heat generation parameterγ (=0.0, 0.2, 0.5, 0.8, 1.0) are obtained and presented in both tabular and graphical formats. Without effect of the internal heat generation inside the fluid domain for which we take γ = 0.0, the present numerical results show an excellent agreement with previous publication.

Keywords: Free Convection, Boundary Layer, CircularCylinder, Viscoelastic Fluid, Heat Generation

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Authors: Jorge Ramírez-Ortiz, Merced Martínez Rosales, Horacio Flores Zúñiga

Abstract:

Transesterification reactions free of catalyst between roasted chicken fat with methanol were carried out in a batch reactor in order to produce biodiesel to temperatures from 120°C to 140°C. Parameters related to the transesterification reactions, including temperature, time and the molar ratio of chicken fat to methanol also investigated. The maximum yield of the reaction was of 98% under conditions of 140°C, 4 h of reaction time and a molar ratio of chicken fat to methanol of 1:31. The biodiesel thus obtained exhibited a viscosity of 6.3 mm2/s and a density of 895.9 kg/m3. The results showed this process can be right choice to produce biodiesel since this process does not use any catalyst. Therefore, the steps of neutralization and washing are avoided, indispensables in the case of the alkaline catalysis.

Keywords: Biodiesel, non-catalyst, roasted chicken fat, transesterification.

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Authors: Pamita Awasthi, Kirna, Shilpa Dogra, Manu Vatsal, Ritu Barthwal

Abstract:

Doxorubicin, also known as Adriamycin, is an anthracycline class of drug used in cancer chemotherapy. It is used in the treatment of non-Hodgkin’s lymphoma, multiple myeloma, acute leukemia, breast cancer, lung cancer, endometrium cancer and ovary cancers. It functions via intercalating DNA and ultimately killing cancer cells. The major side effects of doxorubicin are hair loss, myelosuppression, nausea & vomiting, oesophagitis, diarrhea, heart damage and liver dysfunction. The minor modifications in the structure of compound exhibit large variation in the biological activity, has prompted us to carry out the synthesis of sulfonamide derivatives. Sulfonamide is an important feature with broad spectrum of biological activity such as antiviral, antifungal, diuretics, antiinflammatory, antibacterial and anticancer activities. Structure of the synthesized compound N-(1-methyl-2-oxo-2-N-methyl anilinoethyl) benzene sulfonamide confirmed by proton nuclear magnetic resonance (1H NMR),13C NMR, Mass and FTIR spectroscopic tools to assure the position of all protons and hence stereochemistry of the molecule. Further we have reported the binding potential of synthesized sulfonamide analogues in comparison to doxorubicin drug using Auto Dock 4.2 software. Computational binding energy (B.E.) and inhibitory constant (Ki) has been evaluated for the synthesized compound in comparison of doxorubicin against Poly (dA-dT).Poly (dA-dT) and Poly (dG-dC).Poly (dG-dC) sequences. The in vitro cytotoxic study against human breast cancer cell lines confirms the better anticancer activity of the synthesized compound over currently in use anticancer drug doxorubicin. The IC50 value of the synthesized compound is 7.12 μM whereas for doxorubicin is 7.2 μM.

Keywords: Anticancer, Auto Dock, Doxorubicin, Sulfonamide.

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Authors: M. Chitsazi, B. Maraghechi, M. H. Rouhani

Abstract:

Three-dimensional simulation of harmonic up generation in free electron laser amplifier operating simultaneously with a cold and relativistic electron beam is presented in steady-state regime where the slippage of the electromagnetic wave with respect to the electron beam is ignored. By using slowly varying envelope approximation and applying the source-dependent expansion to wave equations, electromagnetic fields are represented in terms of the Hermit Gaussian modes which are well suited for the planar wiggler configuration. The electron dynamics is described by the fully threedimensional Lorentz force equation in presence of the realistic planar magnetostatic wiggler and electromagnetic fields. A set of coupled nonlinear first-order differential equations is derived and solved numerically. The fundamental and third harmonic radiation of the beam is considered. In addition to uniform beam, prebunched electron beam has also been studied. For this effect of sinusoidal distribution of entry times for the electron beam on the evolution of radiation is compared with uniform distribution. It is shown that prebunching reduces the saturation length substantially. For efficiency enhancement the wiggler is set to decrease linearly when the radiation of the third harmonic saturates. The optimum starting point of tapering and the slope of radiation in the amplitude of wiggler are found by successive run of the code.

Keywords: Free electron laser, Prebunching, Undulator, Wiggler.

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Authors: A. Farshidianfar, P. Oliazadeh, M. H. Farshidianfar

Abstract:

In order to study the free vibration of simply supported circular cylindrical shells; an analytical procedure is developed and discussed in detail. To identify its’ validity, the exact technique was applied to four different shell theories 1) Soedel, 2) Flugge, 3) Morley-Koiter, and 4) Donnell. The exact procedure was compared favorably with experimental results and those obtained using the numerical finite element method. A literature review reveals that beam functions are used extensively as an approximation for simply supported boundary conditions. The effects of this approximate method were also investigated on the natural frequencies by comparing results with those of the exact analysis.

Keywords: Circular Cylindrical Shell, Free Vibration, Natural Frequency.

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