Search results for: dynamic shocking loading

Authors: V. Georgiev

Abstract:

Catalytic oxidation of benzene assisted by ozone, on alumina, silica, and boehmite-supported Ni/Pd catalysts was investigated at 353 K to assess the influence of the support on the reaction. Three bimetallic Ni/Pd nanosized samples with loading 4.7% of Ni and 0.17% of Pd supported on SiO₂, AlOOH and Al₂O₃ were synthesized by the extractive-pyrolytic method. The phase composition was characterized by means of XRD and the surface area and pore size were estimated using Brunauer–Emmett–Teller (BET) and Barrett–Joyner–Halenda (BJH) methods. At the beginning of the reaction, catalysts were significantly deactivated due to the accumulation of intermediates on the catalyst surface and after 60 minutes it turned stable. Ni/Pd/AlOOH catalyst showed the highest steady-state activity in comparison with the Ni/Pd/SiO₂ and Ni/Pd/Al₂O₃ catalysts. Their activity depends on the ozone decomposition potential of the catalysts because of generating oxidizing active species. The sample with the highest ozone decomposition ability which correlated to the surface area of the support oxidizes benzene to the highest extent.

Keywords: Ozone, catalysts, oxidation, Volatile organic compounds, VOCs.

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Authors: Ahmed Abbas Helmy, M. R. M. Rizk, Mohamed El-Sayed

Abstract:

A model predictive controller based on recursive learning is proposed. In this SISO adaptive controller, a model is automatically updated using simple recursive equations. The identified models are then stored in the memory to be re-used in the future. The decision for model update is taken based on a new control performance index. The new controller allows the use of simple linear model predictive controllers in the control of nonlinear time varying processes.

Keywords: Adaptive control, model predictive control, dynamic matrix control, online model identification

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Authors: R. I. Liban, N. Tayşi

Abstract:

This paper deals with a nonlinear finite element analysis to examine the behavior up to failure of cantilever composite steel-concrete beams which are prestressed externally. 'Pre-' means stressing the high strength external tendons in the steel beam section before the concrete slab is added. The composite beam contains a concrete slab which is connected together with steel I-beam by means of perfect shear connectors between the concrete slab and the steel beam which is subjected to static loading. A finite element analysis will be done to study the effects of external prestressed tendons on the composite steel-concrete beams by locating the tendons in different locations (profiles). ANSYS version 12.1 computer program is being used to analyze the represented three-dimensional model of the cantilever composite beam. This model gives all these outputs, mainly load-displacement behavior of the cantilever end and in the middle span of the simple support part.

Keywords: Composite steel-concrete beams, external prestressing, finite element analysis, ANSYS.

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Authors: Yongsei Lee, Hyunsu Park, Youngseob Yu, Heechan Yoo, Sungin Yoo

Abstract:

A horizontal anaerobic digester was developed and tested in pilot scale for Korean food waste with high water contents (>80%). The hydrogen sulfide in the biogas was removed by a biological desulfurization equipment integrated in the horizontal digester. A mixer of the horizontal digester was designed to easily remove the sediment in the bottom and scum layers on surface in the digester. Experimental result for 120 days of operation of the pilot plant showed a high removal efficiency of 81.2% for organic substance and high stability during the whole operation period were acquired. Also food waste was treated at high organic loading rates over 4 kg•VS/m3∙day and a methane gas production rate of 0.62 m3/kg•VSremoved was accomplished. The biological desulfurization equipment inside the horizontal digester was proven to be an economic and effective method to reduce the biogas desulfurization cost by removing hydrogen sulfide more than 90% without external desulfurization equipments.

Keywords: Biogas, Biological desulfurization, Horizontal anaerobic digester, Korean food waste

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Authors: Md F. Mina, Mohammad D.H. Beg, Muhammad R. Islam, Abu K. M. M. Alam A. Nizam, Rosli M. Younus

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In this study, structural, mechanical, thermal and electrical properties of poly (lactic acid) (PLA) nanocomposites with low-loaded (0-1.5 wt%) untreated, heat and nitric acid treated multiwalled carbon nanotubes (MWCNTs) were studied. Among the composites, untreated 0.5 wt % MWCNTs and acid-treated 1.0 wt% MWCNTs reinforced PLA show the tensile strength and modulus values higher than the others. These two samples along with pure PLA exhibit the stable orthorhombic α-form, whilst other samples reveal the less stable orthorhombic β-form, as demonstrated by X-ray diffraction study. Differential scanning calorimetry reveals the evolution of the mentioned different phases by controlled cooling and discloses an enhancement of PLA crystallization by nanotubes incorporation. Thermogravimetric analysis shows that the MWCNTs loaded sample degraded faster than PLA. Surface resistivity of the nanocomposites is found to be dropped drastically by a factor of 1013 with a low loading of MWCNTs (1.5 wt%).

Keywords: Crystallization, multi-walled carbon nanotubes, nanocomposites, Poly (lactic acid).

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Authors: M. Chumburidze, D. Lekveishvili

Abstract:

We have considered the harmonic oscillations and general dynamic (pseudo oscillations) systems of theory generalized Green-Lindsay of couple-stress thermo-elasticity for isotropic, homogeneous elastic media. Approximate solution of some mixed boundary value problems for finite domain, bounded by the some closed surface are constructed.

Keywords: The couple-stress thermo-elasticity, boundary value problems.

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Authors: Ahmed H. El-Masry, Mohamed A. Dabaon, Tarek F. El-Shafiey, Abd El-Hakim A. Khalil

Abstract:

An experimental study was performed to investigate the behavior and strength of proposed technique to connect reinforced concrete (RC) beam to steel or composite columns. This approach can practically be used in several types of building construction. In this technique, the main beam of the frame consists of a transfer part (part of beam; Tr.P) and a common reinforcement concrete beam. The transfer part of the beam is connected to the column, whereas the rest of the beam is connected to the transfer part from each side. Four full-scale beam-column connections were tested under static loading. The test parameters were the length of the transfer part and the column properties. The test results show that using of the transfer part technique leads to modify the deformation capabilities for the RC beam and hence it increases its resistance against failure. Increase in length of the transfer part did not necessarily indicate an enhanced behavior. The test results contribute to the characterization of the connection behavior between RC beam - steel column and can be used to calibrate numerical models for the simulation of this type of connection.

Keywords: Composite column, reinforced concrete beam, Steel Column, Transfer Part.

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Authors: Anne C. Okwedadi, Samson Ng’ambi, Ian Jefferson

Abstract:

Collapsible soils go through radical rearrangement of their particles when triggered by water, stress or/and vibration, causing loss of volume. This loss of volume in soil as seen in foundation failures has caused millions of dollars’ worth of damages to public facilities and infrastructure and so has an adverse effect on the society and people. Despite these consequences and the several studies that are available, more research is still required in the study of soil collapsibility. Discerning the pedogenesis (formation) of soils and investigating the combined effects of the different geological soil properties is key to elucidating and quantifying soils collapsibility. This study presents a novel laboratory testing regime that would be undertaken on soil samples where the effects of soil type, compactive variables (moisture content, density, void ratio, degree of saturation) and loading are analyzed. It is anticipated that results obtained would be useful in mapping the trend of the combined effect thus the basis for evaluating soil collapsibility or collapse potentials encountered in construction with volume loss problems attributed to collapse.

Keywords: Collapsible soil, Geomorphological process, Soil Collapsibility properties, Soil test.

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Authors: M. S. Hosseini, M. Tazzoli-Shadpour, I. Amjadi, A. A. Katbab, E. Jaefargholi-Rangraz

Abstract:

Bionanotechnology deals with nanoscopic interactions between nanostructured materials and biological systems. Polymer nanocomposites with optimized biological activity have attracted great attention. Nanoclay is considered as reinforcing nanofiller in manufacturing of high performance nanocomposites. In current study, organomodified-nanoclay with negatively charged silicate layers was incorporated into biomedical grade silicone rubber. Nanoparticle loading has been tailored to enhance cell behavior. Addition of nanoparticles led to improved mechanical properties of substrate with enhanced strength and stiffness while no toxic effects was observed. Results indicated improved viability and proliferation of cells by addition of nanofillers. The improved mechanical properties of the matrix result in proper cell response through adjustment and arrangement of cytoskeletal fibers. Results can be applied in tissue engineering when enhanced substrates are required for improvement of cell behavior for in vivo applications.

Keywords: Biocompatibility, Composite, Organomodified- Nanoclay, Proliferation

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Authors: Walid M. Adel, Liang Guo-Zhu

Abstract:

To investigate the characterization of the mechanical properties of composite solid propellant (CSP) based on hydroxyl-terminated polybutadiene (HTPB) at different temperatures and strain rates, uniaxial tensile tests were conducted over a range of temperatures -60 °C to +76 °C and strain rates 0.000164 to 0.328084 s^-1 using a conventional universal testing machine. From the experimental data, it can be noted that the mechanical properties of AP/HTPB propellant are mainly dependent on the applied strain rate and the temperature condition. The stress-strain responses exhibited an initial yielding followed by the viscoelastic phase, which was strongly affected by the strain rate and temperature. It was found that the mechanical properties increased with both increasing strain rate and decreasing temperature. Based on the experimental tests, the master curves of the tensile properties are drawn using predetermined shift factor and the results were discussed. This work is a first step in preliminary investigation the nonlinear viscoelasticity behavior of CSP.

Keywords: AP/HTPB composite solid propellant, mechanical behavior, nonlinear viscoelastic, tensile test, master curves.

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Authors: S. Kopylov, C. Z. Bo

Abstract:

This study is aimed at exploring the possibility of energy recovery through the suppression of vibrations. The article describes design of electromagnetic dynamic damper. The magnetic part of the device performs the function of a tuned mass damper, thereby providing both energy regeneration and damping properties to the protected mass. According to the theory of tuned mass damper, equations of mathematical models were obtained. Then, under given properties of current system, amplitude frequency response was investigated. Therefore, main ideas and methods for further research were defined.

Keywords: Electromagnetic damper, oscillations with two degrees of freedom, regeneration systems, tuned mass damper.

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Authors: Mohammad Reza Baradaran, Farhad Hamzezarghani, Mehdi Rastegari Ghiri, Zahra Mirsanjari

Abstract:

Passive control methods can be utilized to build earthquake resistant structures, and also to strengthen the vulnerable ones. In this paper, we studied the effect of this system in increasing the ductility and energy dissipation and also modeled the behavior of this type of eccentric bracing, and compared the hysteresis diagram of the modeled samples with the laboratory samples. We studied several samples of frames with vertical shear-links in order to assess the behavior of this type of eccentric bracing. Each of these samples was modeled in finite element software ANSYS 9.0, and was analyzed under the static cyclic loading. It was found that vertical shear-links have a more stable hysteresis loops. Another analysis showed that using honeycomb beams as the horizontal beam along with steel reinforcement has no negative effect on the hysteresis behavior of the sample.

Keywords: Vertical shear-link, passive control, cyclic analysis, energy dissipation, honeycomb beam.

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Authors: Siddharth Ahuja, T. M. Muruganandam

Abstract:

An analytical investigation is performed to study the unsteady response of a one-dimensional, non-linear dynamic shock system to external downstream pressure perturbations in a supersonic flow in a varying area duct. For a given pressure ratio across a wind tunnel, the normal shock's location can be computed as per one-dimensional steady gas dynamics. Similarly, for some other pressure ratio, the location of the normal shock will change accordingly, again computed using one-dimensional gas dynamics. This investigation focuses on the small-time interval between the first steady shock location and the new steady shock location (corresponding to different pressure ratios). In essence, this study aims to shed light on the motion of the shock from one steady location to another steady location. Further, this study aims to create the foundation of the Unsteady Gas Dynamics field enabling further insight in future research work. According to the new pressure ratio, a pressure pulse, generated at the exit of the tunnel which travels and perturbs the shock from its original position, setting it into motion. During such activity, other numerous physical phenomena also happen at the same time. However, three broad phenomena have been focused on, in this study - Traversal of a Wave, Fluid Element Interactions and Wave Interactions. The above mentioned three phenomena create, alter and kill numerous waves for different conditions. The waves which are created by the above-mentioned phenomena eventually interact with the shock and set it into motion. Numerous such interactions with the shock will slowly make it settle into its final position owing to the new pressure ratio across the duct, as estimated by one-dimensional gas dynamics. This analysis will be extremely helpful in the prediction of inlet 'unstart' of the flow in a supersonic engine intake and its prominence with the incoming flow Mach number, incoming flow pressure and the external perturbation pressure is also studied to help design more efficient supersonic intakes for engines like ramjets and scramjets.

Keywords: Analytical investigation, compression and expansion waves, fluid element interactions, shock trajectory, supersonic flow, unsteady gas dynamics, varying area duct, wave interactions.

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Authors: S. Sadallah

Abstract:

In this paper, dynamic programming is used to determine the optimal management of financial resources in company. Solution of the problem by consider into simpler substructures is constructed. The optimal management of internal capital of company are simulated. The tools applied in this development are based on graph theory. The software of given problems is built by using greedy algorithm. The obtained model and program maintenance enable us to define the optimal version of management of proper financial flows by using visual diagram on each level of investment.

Keywords: Management, software, optimal, greedy algorithm, graph-diagram.

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Authors: Lakshmi Keshav, V. G. Srisanthi

Abstract:

In this experimental investigation shake table tests were conducted on two reduced models that represent normal single room building constructed by Compressed Stabilized Earth Block (CSEB) from locally available soil. One model was constructed with earthquake resisting features (EQRF) having sill band, lintel band and vertical bands to control the building vibration and another one was without Earthquake Resisting Features. To examine the seismic capacity of the models particularly when it is subjected to long-period ground motion by large amplitude by many cycles of repeated loading, the test specimen was shaken repeatedly until the failure. The test results from Hi-end Data Acquisition system show that model with EQRF behave better than without EQRF. This modified masonry model with new material combined with new bands is used to improve the behavior of masonry building.

Keywords: Earth Quake Resisting Features, Compressed Stabilized Earth Blocks, Masonry structures, Shake table testing, Horizontal and vertical bands.

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Authors: S.C. Chin, N. Shafiq, M.F. Nuruddin

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This paper presents the study of strengthening R/C beams with large circular and square opening located at flexure zone by Carbon Fiber Reinforced Polymer (CFRP) laminates. A total of five beams were tested to failure under four point loading to investigate the structural behavior including crack patterns, failure mode, ultimate load and load deflection behaviour. Test results show that large opening at flexure reduces the beam capacity and stiffness; and increases cracking and deflection. A strengthening configuration was designed for each un-strengthened beams based on their respective crack patterns. CFRP laminates remarkably restore the beam capacity of beam with large circular opening at flexure location while 10% re-gain of beam capacity with square opening. The use of CFRP laminates with the designed strengthening configuration could significantly reduce excessive cracking and deflection and increase the ultimate capacity and stiffness of beam.

Keywords: CFRP, large opening, R/C beam, strengthening

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Authors: Leon Fu, Xiangyang Xue

Abstract:

In this paper, we propose a new approach to query-by-humming, focusing on MP3 songs database. Since MP3 songs are much more difficult in melody representation than symbolic performance data, we adopt to extract feature descriptors from the vocal sounds part of the songs. Our approach is based on signal filtering, sub-band spectral processing, MDCT coefficients analysis and peak energy detection by ignorance of the background music as much as possible. Finally, we apply dual dynamic programming algorithm for feature similarity matching. Experiments will show us its online performance in precision and efficiency.

Keywords: DP, MDCT, MP3, QBH.

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Authors: S. Mozuriunaite

Abstract:

Contemporary metropolitan areas and large cities are dynamic, rapidly growing and continuously changing. Thus, urban transformations and mutations are not a new phenomenon, but rather a continuous process. Basic factors of urban transformation are related to development of technologies, globalisation, lifestyle, etc., which in combination with local factors have generated an extremely great variety of urban development conditions. This article discusses the main urbanisation processes in Lithuania during last 50-year period and social factors affecting urban functional mutations.

Keywords: Dispersion, functional mutations, urbanisation, urban mutations, social factors.

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Authors: Y.Srinivasa Kishore Babu, G.Tulasi Ram Das

Abstract:

This paper presents a comparative study of two most popular control strategies for Induction motor (IM) drives: Field-Oriented Control (FOC) and Direct Torque Control (DTC). The comparison is based on various criteria including basic control characteristics, dynamic performance, and implementation complexity. The study is done by simulation using the Simulink Power System Block set that allows a complete representation of the power section (inverter and IM) and the control system.

Keywords: IM, FOC, DTC, Simulink

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Authors: Arash Esmaeili, Zhibang Liu, Yang Xiang, Jimmy Yun, Lei Shao

Abstract:

A high pressure carbon dioxide (CO₂) absorption from a specific gas in a conventional column has been evaluated by the Aspen HYSYS simulator using a wide range of single absorbents and blended solutions to estimate the outlet CO₂ concentration, absorption efficiency and CO₂ loading to choose the most proper solution in terms of CO₂ capture for environmental concerns. The property package (Acid Gas-Chemical Solvent) which is compatible with all applied solutions for the simulation in this study, estimates the properties based on an electrolyte non-random two-liquid (E-NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for the vapor and liquid hydrocarbon phases. Among all the investigated single amines as well as blended solutions, piperazine (PZ) and the mixture of piperazine and monoethanolamine (MEA) have been found as the most effective absorbents respectively for CO₂ absorption with high reactivity based on the simulated operational conditions.

Keywords: Absorption, amine solutions, Aspen HYSYS, carbon dioxide, simulation.

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Authors: T. F. Jin, X. C. Yin, P. B. Qian

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The present investigation is concerned with sub-impacts taken placed when a rigid hemispherical-head block transversely impacts against a beam at different locations. Dynamic substructure technique for elastic-plastic impact is applied to solve numerically this problem. The time history of impact force and energy exchange between block and beam are obtained. The process of sub-impacts is analyzed from the energy exchange point of view. The results verify the influences of the impact location on impact duration, the first sub-impact and energy exchange between the beam and the block.

Keywords: Beam, sub-impact, substructure, elastic-plasticity.

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Authors: S. Alih, A. Khelil

Abstract:

In the present work, behavior of inoxydable steel as reinforcement bar in composite concrete is being investigated. The bar-concrete adherence in reinforced concrete (RC) beam is studied and focus is made on the tension stiffening parameter. This study highlighted an approach to observe this interaction behavior in bending test instead of direct tension as per reported in many references. The approach resembles actual loading condition of the structural RC beam. The tension stiffening properties are then applied to numerical finite element analysis (FEA) to verify their correlation with laboratory results. Comparison with laboratory shows a good correlation between the two. The experimental settings is able to determine tension stiffening parameters in RC beam and the modeling strategies made in ABAQUS can closely represent the actual condition. Tension stiffening model used can represent the interaction properties between inoxydable steel and concrete.

Keywords: Inoxydable steel, Finite element modeling, Reinforced concrete beam, Tension-stiffening.

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Authors: Makara Rith, Young Kyu Kim, Seung Woo Lee

Abstract:

In heavy duty areas, asphalt pavement constructed as entrance roadway may expose distresses such as cracking and rutting during service life. To mitigate these problems, composite pavement with a roller-compacted concrete base may be a good alternative; however, it should be initially investigated. Structural performances such as fatigue cracking and rut depth may be changed due to variation of some design factors. Therefore, this study focuses on the variation effect of material modulus, layer thickness and loading on composite pavement performances. Stress and strain at the critical location are determined and used as the input of transfer function for corresponding distresses to evaluate the pavement performance. Also, composite pavement satisfying the design criteria may be selected as a design section for heavy duty areas. Consequently, this investigation indicates that composite pavement has the ability to eliminate fatigue cracking in asphalt surfaces and significantly reduce rut depth. In addition, a thick or strong rigid base can significantly reduce rut depth and prolong fatigue life of this layer.

Keywords: Composite pavement, ports, cracking, rutting.

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Authors: Markus Reichhartinger, Martin Horn

Abstract:

In this paper, the position control of an electronic throttle actuator is outlined. The dynamic behavior of the actuator is described with the help of an uncertain plant model. This motivates the controller design based on the ideas of higher-order slidingmodes. As a consequence anti-chattering techniques can be omitted. It is shown that the same concept is applicable to estimate unmeasureable signals. The control law and the observer are implemented on an electronic control unit. Results achieved by numerical simulations and real world experiments are presented and discussed.

Keywords: higher order sliding-mode, throttle actuator, electromechanicalsystem, robust and nonlinear control.

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Authors: S. Anbu, N. Jaya

Abstract:

Nonlinearity is the inherent characteristics of all the industrial processes. The Classical control approach used for a generation often fails to show better results particularly for non-linear systems and in the systems, whose parameters changes over a period of time for a variety of reasons. Alternatively, adaptive control strategies provide very good performance. The Model Reference Adaptive Control based on Lyapunov stability analysis and classical PI control strategies are designed and evaluated for Continuous Stirred Tank Reactor, which shows appreciable dynamic nonlinear characteristics.

Keywords: Adaptive Control, CSTR, Lyapunov stability, MRAS, PID.

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Authors: Mohammad R. Irshidat, Mohammed H. Al-Saleh, Mahmoud Al-Shoubaki

Abstract:

This paper investigates the viability of using carbon fiber reinforced epoxy composites modified with carbon nanotubes to strengthening reinforced concrete (RC) columns. Six RC columns was designed and constructed according to ASCE standards. The columns were wrapped using carbon fiber sheets impregnated with either neat epoxy or CNTs modified epoxy. These columns were then tested under concentric axial loading. Test results show that; compared to the unwrapped specimens; wrapping concrete columns with carbon fiber sheet embedded in CNTs modified epoxy resulted in an increase in its axial load resistance, maximum displacement, and toughness values by 24%, 109% and 232%, respectively. These results reveal that adding CNTs into epoxy resin enhanced the confinement effect, specifically, increased the axial load resistance, maximum displacement, and toughness values by 11%, 6%, and 19%, respectively compared with columns strengthening with carbon fiber sheet embedded in neat epoxy.

Keywords: CNT, epoxy, Carbon fiber, RC columns.

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Authors: J. Ruenin, S. Sukprasong, R. Phatthanakun, N. Chomnawang, P. Kuntanawat

Abstract:

In this paper, a simple microfluidic device for monitoring algal cell behavior is proposed. An array of algal microwells is fabricated by PDMS soft-lithography using X-ray LIGA mold, placed on a glass substrate. Two layers of replicated PDMS and substrate are attached by oxygen plasma bonding, creating a microchannel for the microfluidic system. Algal cell are loaded into the microfluidic device, which provides positive charge on the bottom surface of wells. Algal cells, which are negative charged, can be attracted to the bottom of the wells via electrostatic interaction. By varying the concentration of algal cells in the loading suspension, it is possible to obtain wells with a single cell. Liquid medium for cells monitoring are flown continuously over the wells, providing nutrient and waste exchange between the well and the main flow. This device could lead to the uncovering of the quantitative biology of the algae, which is a key to effective and extensive algal utilizations in the field of biotechnology, food industry and bioenergy research and developments.

Keywords: Algal cells, microfluidic device, X-ray LIGA, X-ray lithography, metallic mold, synchrotron light, PDMS

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Authors: Gopal Chandra Saha, Sumanta Daw

Abstract:

Warm-up is an essential component for optimizing performance in various sports before a physical fitness training session. This study investigated the immediate comparative effect of Self-Myofascial Release through vibration rolling (VR), non-vibration rolling (NVR), and static stretching as a part of a warm-up treatment on the functional fitness of young adults. Functional fitness is a classification of training that prepares the body for real-life movements and activities. For the present study 20male physical education students were selected as subjects. The age of the subjects was ranged from 20-25 years. The functional fitness variables undertaken in the present study were flexibility, muscle strength, agility, static and dynamic balance of the lower extremity. Each of the three warm-up protocol was administered on consecutive days, i.e. 24 hr time gap and all tests were administered in the morning. The mean and SD were used as descriptive statistics. The significance of statistical differences among the groups was measured by applying ‘F’-test, and to find out the exact location of difference, Post Hoc Test (Least Significant Difference) was applied. It was found from the study that only flexibility showed significant difference among three types of warm-up exercise. The observed result depicted that VR has more impact on myofascial release in flexibility in comparison with NVR and stretching as a part of warm-up exercise as ‘p’ value was less than 0.05. In the present study, within the three means of warm-up exercises, vibration roller showed better mean difference in terms of NVR, and static stretching exercise on functional fitness of young physical education practitioners, although the results were found insignificant in case of muscle strength, agility, static and dynamic balance of the lower extremity. These findings suggest that sports professionals and coaches may take VR into account for designing more efficient and effective pre-performance routine for long term to improve exercise performances. VR has high potential to interpret into an on-field practical application means.

Keywords: Self-myofascial release, functional fitness, foam roller, physical education.

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

Abstract:

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

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

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Authors: C.B. Vishwakarma

Abstract:

The authors present a mixed method for reducing the order of the large-scale dynamic systems. In this method, the denominator polynomial of the reduced order model is obtained by using the modified pole clustering technique while the coefficients of the numerator are obtained by Pade approximations. This method is conceptually simple and always generates stable reduced models if the original high-order system is stable. The proposed method is illustrated with the help of the numerical examples taken from the literature.

Keywords: Modified pole clustering, order reduction, padeapproximation, stability, transfer function.

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