Search results for: multilevel structural equation model

Authors: Ek-Uma Imkome, Jintana Yunibhand, Waraporn Chaiyawat

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Background: Persons with schizophrenia patient and misusing methamphetamines suffering from social dysfunction that impact on their quality of life. Knowledge of factors related to social dysfunction will guide the effective intervention. Objectives: To determine the direct effect, indirect effect and total effect of an acerbate Psychotics’ Symptoms, Social Support, Stressful life events, Medication use self-efficacy impact on social dysfunction in Thai schizophrenic patient and methamphetamine misuse. Methods: Data were collected from schizophrenic and methamphetamine misuse patient by self report. A linear structural relationship was used to test the hypothesized path model. Results: The hypothesized model was found to fit the empirical data and explained 54% of the variance of the psychotic symptoms (X² = 114.35, df = 92, p-value = 0.05, X² /df = 1.24, GFI = 0.96, AGFI = 0.92, CFI = 1.00, NFI = 0.99, NNFI = 0.99, RMSEA = 0.02). The highest total effect on social dysfunction was psychotic symptoms (0.67, p<0.05). Medication use self-efficacy had a direct effect on psychotic symptoms (-0.25, p<0.01), and social support had direct effect on medication use self efficacy (0.36, p <0.01). Conclusions: Psychotic symptoms and stressful life events were the significance factors that influenced direct on social dysfunctioning. Therefore, interventions that are designed to manage these factors are crucial in order to enhance social functioning in this population.

Keywords: psychotic symptoms, methamphetamine, schizophrenia, stressful life events, social dysfunction, social support, medication use self efficacy

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Authors: Quoc Van Nguyen, Behzad Fatahi, Aslan S. Hokmabadi

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Performance based seismic design is a modern approach to earthquake-resistant design shifting emphasis from “strength” to “performance”. Soil-Structure Interaction (SSI) can influence the performance level of structures significantly. In this paper, a fifteen storey moment resisting frame sitting on a shallow foundation (footing) with different sizes is simulated numerically using ABAQUS software. The developed three dimensional numerical simulation accounts for nonlinear behaviour of the soil medium by considering the variation of soil stiffness and damping as a function of developed shear strain in the soil elements during earthquake. Elastic-perfectly plastic model is adopted to simulate piles and structural elements. Quiet boundary conditions are assigned to the numerical model and appropriate interface elements, capable of modelling sliding and separation between the foundation and soil elements, are considered. Numerical results in terms of base shear, lateral deformations, and inter-storey drifts of the structure are compared for the cases of soil-structure interaction system with different foundation sizes as well as fixed base condition (excluding SSI). It can be concluded that conventional design procedures excluding SSI may result in aggressive design. Moreover, the size of the foundation can influence the dynamic characteristics and seismic response of the building due to SSI and should therefore be given careful consideration in order to ensure a safe and cost effective seismic design.

Keywords: soil-structure-interaction, seismic response, shallow foundation, abaqus, rayleigh damping

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Authors: Ardalan Tofighi Soleimandarabi

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Artificial intelligence has revolutionized the concrete construction industry and improved processes by increasing efficiency, accuracy, and sustainability. This article examines the applications of artificial intelligence in predicting the compressive strength of concrete, optimizing mixing plans, and improving structural health monitoring systems. Artificial intelligence-based models, such as artificial neural networks (ANN) and combined machine learning techniques, have shown better performance than traditional methods in predicting concrete properties. In addition, artificial intelligence systems have made it possible to improve quality control and real-time monitoring of structures, which helps in preventive maintenance and increases the life of infrastructure. Also, the use of artificial intelligence plays an effective role in sustainable construction by optimizing material consumption and reducing waste. Although the implementation of artificial intelligence is associated with challenges such as high initial costs and the need for specialized training, it will create a smarter, more sustainable, and more affordable future for concrete structures.

Keywords: artificial intelligence, concrete construction, compressive strength prediction, structural health monitoring, stability

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Authors: Seon Soon Choi

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The essential purpose is to present the good fatigue crack propagation model describing a stochastic fatigue crack growth behavior in a rolled magnesium alloy, AZ31, under various load ratio conditions. Fatigue crack propagation experiments were carried out in laboratory air under four conditions of load ratio, R, using AZ31 to investigate the crack growth behavior. The stochastic fatigue crack growth behavior was analyzed using an interpolation of random variable, Z, introduced to an empirical fatigue crack propagation model. The empirical fatigue models used in this study are Paris-Erdogan model, Walker model, Forman model, and modified Forman model. It was found that the random variable is useful in describing the stochastic fatigue crack growth behaviors under various load ratio conditions. The good probabilistic model describing a stochastic fatigue crack growth behavior under various load ratio conditions was also proposed.

Keywords: magnesium alloys, fatigue crack propagation model, load ratio, interpolation of random variable

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Authors: Asal Pournaghshband, Mohammed A. Zaki

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This paper presents a detailed numerical investigation into the structural performance of splay anchor configurations for strengthening concrete beams with Carbon Fiber Reinforced Polymer (CFRP) sheets. CFRP is widely used in retrofitting concrete structures to improve flexural strength and extend service life. However, premature debonding limits the tensile capacity of CFRP sheets, reducing the effectiveness of these applications. This study addresses this limitation by exploring the potential of splay anchors as an emerging anchorage technique that mitigates debonding issues through improved load transfer mechanisms. Building on existing experimental studies, the research uses ABAQUS software to validate different splay anchor configurations and simulate real-world performance. The parametric study examines key anchor parameters, including diameter, spacing, and embedment depth, to evaluate their effects on bond strength, load distribution, and the flexural capacity of strengthened beams. Systematic analysis of these parameters allows for identifying configurations that enhance debonding resistance and increase the load-carrying capacity of CFRP-strengthened beams. Improved debonding resistance contributes to greater structural durability, reduced maintenance costs, and extended service life for retrofitted structures, particularly relevant for aging infrastructure like bridges and buildings. This approach not only advances sustainable retrofitting practices but also provides practical solutions tailored to infrastructure demands.

Keywords: CFRP strengthening, splay anchors, concrete beams, structural retrofitting, numerical analysis

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Authors: Alex Fedoseyev

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This study explores Generalized Hydrodynamic Equations (GHE) for the simulation of turbulent flows. The GHE was derived from the Generalized Boltzmann Equation (GBE) by Alexeev (1994). GBE was obtained by first principles from the chain of Bogolubov kinetic equations and considered particles of finite dimensions, Alexeev (1994). The GHE has new terms, temporal and spatial fluctuations compared to the Navier-Stokes equations (NSE). These new terms have a timescale multiplier τ, and the GHE becomes the NSE when τ is zero. The nondimensional τ is a product of the Reynolds number and the squared length scale ratio, τ=Re*(l/L)², where l is the apparent Kolmogorov length scale, and L is a hydrodynamic length scale. The turbulence phenomenon is not well understood and is not described by NSE. An additional one or two equations are required for the turbulence model, which may have to be tuned for specific problems. We show that, in the case of the GHE, no additional turbulence model is needed, and the turbulent velocity profile is obtained from the GHE. The 2D turbulent channel and circular pipe flows were investigated using a numerical solution of the GHE for several cases. The solutions are compared with the experimental data in the circular pipes and 2D channels by Nicuradse (1932, Prandtl Lab), Hussain and Reynolds (1975), Wei and Willmarth (1989), Van Doorne (2007), theory by Wosnik, Castillo and George (2000), and the relevant experiments on Superpipe setup at Princeton, data by Zagarola (1996) and Zagarola and Smits (1998), the Reynolds number is from Re=7200 to Re=960000. The numerical solution data compared well with the experimental data, as well as with the approximate analytical solution for turbulent flow in channel Fedoseyev (2023). The obtained results confirm that the Alexeev generalized hydrodynamic theory (GHE) is in good agreement with the experiments for turbulent flows. The proposed approach is limited to 2D and 3D axisymmetric channel geometries. Further work will extend this approach by including channels with square and rectangular cross-sections.

Keywords: comparison with experimental data. generalized hydrodynamic equations, numerical solution, turbulent boundary layer, turbulent flow in channel

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Authors: Jenifer Alam, Rima Chatterjee

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Upper Assam sedimentary basin is one of the oldest commercially producing basins of India. Being in a tectonically active zone, estimation of tectonic strain and stress magnitudes has vast application in hydrocarbon exploration and exploitation. This East North East –West South West trending shelf-slope basin encompasses the Bramhaputra valley extending from Mikir Hills in the southwest to the Naga foothills in the northeast. Assam Shelf lying between the Main Boundary Thrust (MBT) and Naga Thrust area is comparatively free from thrust tectonics and depicts normal faulting mechanism. The study area is bounded by the MBT and Main Central Thrust in the northwest. The Belt of Schuppen in the southeast, is bordered by Naga and Disang thrust marking the lower limit of the study area. The entire Assam basin shows low-level seismicity compared to other regions of northeast India. Pore pressure (PP), vertical stress magnitude (SV) and horizontal stress magnitudes have been estimated from two wells - N1 and T1 located in Upper Assam. N1 is located in the Assam gap below the Bramhaputra river while T1, lies in the Belt of Schuppen. N1 penetrates geological formations from top Alluvial through Dhekiajuli, Girujan, Tipam, Barail, Kopili, Sylhet and Langpur to the granitic basement while T1 in trusted zone crosses through Girujan Suprathrust, Tipam Suprathrust, Barail Suprathrust to reach Naga Thrust. Normal compaction trend is drawn through shale points through both wells for estimation of PP using the conventional Eaton sonic equation with an exponent of 1.0 which is validated with Modular Dynamic Tester and mud weight. Observed pore pressure gradient ranges from 10.3 MPa/km to 11.1 MPa/km. The SV has a gradient from 22.20 to 23.80 MPa/km. Minimum and maximum horizontal principal stress (Sh and SH) magnitudes under isotropic conditions are determined using poroelastic model. This approach determines biaxial tectonic strain utilizing static Young’s Modulus, Poisson’s Ratio, SV, PP, leak off test (LOT) and SH derived from breakouts using prior information on unconfined compressive strength. Breakout derived SH information is used for obtaining tectonic strain due to lack of measured SH data from minifrac or hydrofracturing. Tectonic strain varies from 0.00055 to 0.00096 along x direction and from -0.0010 to 0.00042 along y direction. After obtaining tectonic strains at each well, the principal horizontal stress magnitudes are calculated from linear poroelastic model. The magnitude of Sh and SH gradient in normal faulting region are 12.5 and 16.0 MPa/km while in thrust faulted region the gradients are 17.4 and 20.2 MPa/km respectively. Model predicted Sh and SH matches well with the LOT data and breakout derived SH data in both wells. It is observed from this study that the stresses SV>SH>Sh prevailing in the shelf region while near the Naga foothills the regime changes to SH≈SV>Sh area corresponds to normal faulting regime. Hence this model is a reliable tool for predicting stress magnitudes from well logs under active tectonic regime in Upper Assam Basin.

Keywords: Eaton, strain, stress, poroelastic model

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Authors: Triveni Gogoi, Rima Chatterjee

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Shear wave velocity (Vs) estimation is an important approach in the seismic exploration and characterization of a hydrocarbon reservoir. There are varying methods for prediction of S-wave velocity, if recorded S-wave log is not available. But all the available methods for Vs prediction are empirical mathematical models. Shear wave velocity can be estimated using P-wave velocity by applying Castagna’s equation, which is the most common approach. The constants used in Castagna’s equation vary for different lithologies and geological set-ups. In this study, multiple regression analysis has been used for estimation of S-wave velocity. The EMERGE module from Hampson-Russel software has been used here for generation of S-wave log. Both single attribute and multi attributes analysis have been carried out for generation of synthetic S-wave log in Upper Assam basin. Upper Assam basin situated in North Eastern India is one of the most important petroleum provinces of India. The present study was carried out using four wells of the study area. Out of these wells, S-wave velocity was available for three wells. The main objective of the present study is a prediction of shear wave velocities for wells where S-wave velocity information is not available. The three wells having S-wave velocity were first used to test the reliability of the method and the generated S-wave log was compared with actual S-wave log. Single attribute analysis has been carried out for these three wells within the depth range 1700-2100m, which corresponds to Barail group of Oligocene age. The Barail Group is the main target zone in this study, which is the primary producing reservoir of the basin. A system generated list of attributes with varying degrees of correlation appeared and the attribute with the highest correlation was concerned for the single attribute analysis. Crossplot between the attributes shows the variation of points from line of best fit. The final result of the analysis was compared with the available S-wave log, which shows a good visual fit with a correlation of 72%. Next multi-attribute analysis has been carried out for the same data using all the wells within the same analysis window. A high correlation of 85% has been observed between the output log from the analysis and the recorded S-wave. The almost perfect fit between the synthetic S-wave and the recorded S-wave log validates the reliability of the method. For further authentication, the generated S-wave data from the wells have been tied to the seismic and correlated them. Synthetic share wave log has been generated for the well M2 where S-wave is not available and it shows a good correlation with the seismic. Neutron porosity, density, AI and P-wave velocity are proved to be the most significant variables in this statistical method for S-wave generation. Multilinear regression method thus can be considered as a reliable technique for generation of shear wave velocity log in this study.

Keywords: Castagna's equation, multi linear regression, multi attribute analysis, shear wave logs

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

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The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation

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Authors: T. H. Young, S. J. Huang, Y. S. Chiu

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This paper investigates the parametric stability of an axially moving web subjected to nonuniform in-plane edge excitations on two opposite, simply-supported edges. The web is modeled as a viscoelastic plate whose constitutive relation obeys the Kelvin-Voigt model, and the in-plane edge excitations are expressed as the sum of a static tension and a periodical perturbation. Due to the in-plane edge excitations, the moving plate may bring about parametric instability under certain situations. First, the in-plane stresses of the plate due to the nonuniform edge excitations are determined by solving the in-plane forced vibration problem. Then, the dependence on the spatial coordinates in the equation of transverse motion is eliminated by the generalized Galerkin method, which results in a set of discretized system equations in time. Finally, the method of multiple scales is utilized to solve the set of system equations analytically if the periodical perturbation of the in-plane edge excitations is much smaller as compared with the static tension of the plate, from which the stability boundaries of the moving plate are obtained. Numerical results reveal that only combination resonances of the summed-type appear under the in-plane edge excitations considered in this work.

Keywords: axially moving viscoelastic plate, in-plane periodic excitation, nonuniformly distributed edge tension, dynamic stability

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Authors: Youssef I. Hafez

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Since ancient history rivers have been the fostering and favorite place for people and civilizations to live and exist along river banks. However, due to floods and droughts, especially sever conditions due to global warming and climate change, river channels are completely evolving and moving in the lateral direction changing their plan form either through straightening of curved reaches (meander cut-off) or increasing meandering curvature. The lateral shift or shrink of a river channel affects severely the river banks and the flood plain with tremendous impact on the surrounding environment. Therefore, understanding the formation and the continual processes of river channel meandering is of paramount importance. So far, in spite of the huge number of publications about river-meandering, there has not been a satisfactory theory or approach that provides a clear explanation of the formation of river meanders and the mechanics of their associated geometries. In particular two parameters are often needed to describe meander geometry. The first one is a scale parameter such as the meander arc length. The second is a shape parameter such as the maximum angle a meander path makes with the channel mean down path direction. These two parameters, if known, can determine the meander path and geometry as for example when they are incorporated in the well known sine-generated curve. In this study, a uniform excess energy theory is used to illustrate the origin and mechanics of formation of river meandering. This theory advocates that the longitudinal imbalance between the valley and channel slopes (with the former is greater than the second) leads to formation of curved meander channel in order to reduce the excess energy through its expenditure as transverse energy loss. Two relations are developed based on this theory; one for the determination of river channel radius of curvature at the bend apex (shape parameter) and the other for the determination of river channel sinuosity. The sinuosity equation tested very well when applied to existing available field data. In addition, existing model data were used to develop a relation between the meander arc length and the Darcy-Weisback friction factor. Then, the meander wave length was determined from the equations of the arc length and the sinuosity. The developed equation compared well with available field data. Effects of the transverse bed slope and grain size on river channel sinuosity are addressed. In addition, the concept of maximum channel sinuosity is introduced in order to explain the changes of river channel plan form due to changes in flow discharges and sediment loads induced by global warming and climate changes.

Keywords: river channel meandering, sinuosity, radius of curvature, meander arc length, uniform excess energy theory, transverse energy loss, transverse bed slope, flow discharges, sediment loads, grain size, climate change, global warming

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Authors: Liat Kulik

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The main goal of the present study was to examine gender differences in the variables that explain the experience of role conflict and well-being among Jewish working fathers and mothers in the Israel. The experience of work-family conflict arises from simultaneous pressures from the work and family domains that are mutually incompatible. In light of the expansion of women's role set following the addition of paid employment outside of the home, most of the studies dealing with the impact of multiple roles on well-being have been conducted among women. However, changes in gender roles in recent years have also affected men's role set, as reflected in the terms ‘new men’ and ‘new fathers’. Based on structural equation modeling, the study examined gender differences in variables that explain the experience of two types of role conflict – family interferes with work (FIW) and work interferes with family (WIF), as well as with the sense of well-being (positive and negative affect) among 611 employed Jewish mothers and fathers in Israel. The findings revealed that for women, both FIW and WIF conflict correlated negatively with well-being, whereas for men, a negative correlation with well-being was found only in the case of FIW conflict. For both men and women, egalitarian gender role ideology correlated with the dimension of positive effect, but the correlation was stronger for men. The findings highlight the contribution of egalitarian gender role ideology to alleviating the experience of role conflict and improving the emotional well-being of both men and women. Contrary to expectations, social support contributed more to mitigating negative effect among men than women. On the whole, the findings highlight the changes that men have experienced in the work-family system. In sum, the research findings shed new light on the masculine image in terms of the experience of FIW conflict. In contrast to the prevailing assumption that FIW role conflict is predominant among women, the findings of this study indicate that today, this type of role conflict is experienced equally by men and women whereas WIF conflict is predominant among men. Furthermore, contrary to expectations, levels of perceived social support were found to be similar for men and women, and men benefited from it even more than women did.

Keywords: FIW conflict, WIF conflict, social support, egalitarian gender role ideology, overload

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Authors: Areeg Shermaddo

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Solar updraft power plants (SUPP) provide a great potential for green and environmentally friendly renewable power generation. An up to 1000 m high chimney represents one of the major parts of each SUPP, which consist of the main shell structure and the stiffening rings. Including the nonlinear material behavior in a simulation of the chimney is computationally a demanding task. However, allowing the formation of cracking in concrete leads to a more economical design of the structure. In this work, an FE model of a SUPP is presented incorporating the nonlinear material behavior. The effect of wind loading intensity on the structural response is explored. Furthermore, the influence of the stiffness of the ring beams on the global behavior is as well investigated. The obtained results indicate that the minimum reinforcement is capable of carrying the tensile stresses provided that the ring beams are rather stiff.

Keywords: ABAQUS, nonlinear analysis, ring beams, SUPP

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Authors: Mohsen Tehranizadeh, Mahboobe Forghani

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The impact of higher modes on the seismic response of dual structural system consist of concrete moment-resisting frame and with RC shear walls is investigated against near-field earthquakes in this paper. a 20 stories reinforced concrete shear wall-special moment frame structure is designed in accordance with ASCE7 requirements and The nonlinear model of the structure was performed on OpenSees platform. Nonlinear time history dynamic analysis with 3 near-field records are performed on them. In order to further understand the structural collapse behavior in the near field, the response of the structure at the moment of collapse especially the formation of plastic hinges is explored. The results revealed that the amplification of moment at top of the wall due to higher modes, the plastic hinge can form in the upper part of wall, even when designed and detailed for plastic hinging at the base only (according to ACI code).on the other hand, shear forces in excess of capacity design values can develop due to the contribution of the higher modes of vibration to dynamic response due to the near field can cause brittle shear or sliding failure modes. The past investigation on shear walls clearly shows the dual-hinge design concept is effective at reducing the effects of the second mode of response. An advantage of the concept is that, when combined with capacity design, it can result in relaxation of special reinforcing detailing in large portions of the wall. In this study, to investigate the implications of multi-design approach, 4 models with varies arrangement of hinge plastics at the base and height of the shear wall are considered. results base on time history analysis showed that the dual or multi plastic hinges approach can be useful in order to control the high moment and shear demand of higher mode effect.

Keywords: higher mode effect, Near-field earthquake, nonlinear time history analysis, multi plastic hinge design

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Authors: Adam Abate, Elham Rasti, Philip Romero

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Beta-glucosidase is the key enzyme component present in cellulase and completes the final step during cellulose hydrolysis by converting the cellobiose to glucose. The regulatory properties of beta-glucosidases are most commonly found for the retaining and inverting enzymes. Hydrolysis of a glycoside typically occurs with general acid and general base assistance from two amino acid side chains, normally glutamic or aspartic acids. In order to obtain more detailed information on the dynamic events origination from the interaction with enzyme active site, we carried out molecular dynamics simulations of beta-glycosidase in protonated state (Glu-H178) and deprotonated state (Glu178). The theoretical models generated from our molecular dynamics simulations complement and advance the structural information currently available, leading to a more detailed understanding of Beta-glycosidase structure and function. This article presents the important role of Asn307 in enzyme activity of beta-glucosidase

Keywords: Beta-glucosidase, GROMACS, molecular dynamics simulation, structural parameters

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Authors: Amr Sadek, Abdelrahaman Al-Qahtany, Turkey Salem Al-Qahtany

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In this study, a backpropagation artificial neural network (ANN) model has been used to predict the cooling and heating capacities of air conditioners (AC) under different conditions. Sufficiently large measurement results were obtained from the national energy-efficiency laboratories in Saudi Arabia and were used for the learning process of the ANN model. The parameters affecting the performance of the AC, including temperature, humidity level, specific heat enthalpy indoors and outdoors, and the air volume flow rate of indoor units, have been considered. These parameters were used as inputs for the ANN model, while the cooling and heating capacity values were set as the targets. A backpropagation ANN model with two hidden layers and one output layer could successfully correlate the input parameters with the targets. The characteristics of the ANN model including the input-processing, transfer, neurons-distance, topology, and training functions have been discussed. The performance of the ANN model was monitored over the training epochs and assessed using the mean squared error function. The model was then used to predict the performance of the AC under conditions that were not included in the measurement results. The optimum performance of the AC was also predicted under the different environmental conditions in Saudi Arabia. The uncertainty of the ANN model predictions has been evaluated taking into account the randomness of the data and lack of learning.

Keywords: artificial neural network, uncertainty of model predictions, efficiency of air conditioners, cooling and heating capacities

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Authors: Ben Nadler

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Cell adhesion plays a vital role in many cell activities. The motivation to model cell adhesion is to study important biological processes, such as cell spreading, cell aggregation, tissue formation, and cell adhesion, which are very challenging to study by experimental methods alone. This study provides important insight into cell adhesion, which can lead to improve regenerative medicine and tissue formation techniques. In this presentation the biological cells adhesion is mediated by receptors–ligands binding and the diffusivity of the receptor on the cell membrane surface. The ability of receptors to diffuse on the cell membrane surface yields a very unique and complicated adhesion mechanism, which is exclusive to cells. The phospholipid bilayer, which is the main component in the cell membrane, shows fluid-like behavior associated with the molecules’ diffusivity. The biological cell is modeled as a fluid-like membrane with negligible bending stiffness enclosing the cytoplasm fluid. The in-plane mechanical behavior of the cell membrane is assumed to depend only on the area change, which is motivated by the fluidity of the phospholipid bilayer. In addition, the presence of receptors influences on the local mechanical properties of the cell membrane is accounted for by including stress-free area change, which depends on the receptor density. Based on the physical properties of the receptors and ligands the attraction between the receptors and ligands is modeled as a charged-nonpolar which is a noncovalent interaction. Such interaction is a short-range type, which decays fast with distance. The mobility of the receptor on the cell membrane is modeled using the diffusion equation and Fick’s law is used to model the receptor–receptor interactions. The resultant interaction force, which includes receptor–ligand and receptor–receptor interaction, is decomposed into tangential part, which governs the receptor diffusion, and normal part, which governs the cell deformation and adhesion. The formulation of the governing equations and numerical simulations will be presented. Analysis of the adhesion characteristic and properties are discussed. The roles of various thermomechanical properties of the cell, receptors and ligands on the cell adhesion are investigated.

Keywords: cell adhesion, cell membrane, receptor-ligand interaction, receptor diffusion

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Authors: Jannes Quer, Amir Niknejad, Marcus Weber

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Computational Drug Design is often based on Molecular Dynamics simulations of molecular systems. Molecular Dynamics can be used to simulate, e.g., the binding and unbinding event of a small drug-like molecule with regard to the active site of an enzyme or a receptor. However, the time-scale of the overall binding event is many orders of magnitude longer than the time-scale of simulation. Thus, there is a need to speed-up molecular simulations. In order to speed up simulations, the molecular dynamics trajectories have to be ”steared” out of local minimizers of the potential energy surface – the so-called metastabilities – of the molecular system. Increasing the kinetic energy (temperature) is one possibility to accelerate simulated processes. However, with temperature the entropy of the molecular system increases, too. But this kind ”stearing” is not directed enough to stear the molecule out of the minimum toward the saddle point. In this article, we give a new mathematical idea, how a potential energy surface can be changed in such a way, that entropy is kept under control while the trajectories are still steared out of the metastabilities. In order to compute the unsteared transition behaviour based on a steared simulation, we propose to use extrapolation methods. In the end we mathematically show, that our method accelerates the simulations along the direction, in which the curvature of the potential energy surface changes the most, i.e., from local minimizers towards saddle points.

Keywords: extrapolation, Eyring-Kramers, metastability, multilevel sampling

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Authors: Shahroz Khan, Osman Taha Şen

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In automotive brake systems, brake noise has been a major problem, and brake squeal is one of the critical ones which is an instability issue. The brake squeal produces an audible sound at high frequency that is irritating to the human ear. To study this critical problem, first a nonlinear mathematical model with three degree of freedom is developed. This model consists of a point mass that simulates the brake pad and a sliding surface that simulates the brake rotor. The model exposes kinematic and clearance nonlinearities, but no friction nonlinearity. In the formulation, the friction coefficient is assumed to be constant and the friction force does not change direction. The nonlinear governing equations of the model are first obtained, and numerical solutions are sought for different cases. Second, a computational model for the squeal problem is developed with a commercial software, and computational solutions are obtained with two different types of contact cases (solid-to-solid and sphere-to-plane). This model consists of three rigid bodies and several elastic elements that simulate the key characteristics of a brake system. The response obtained from this model is compared with numerical solutions in time and frequency domain.

Keywords: contact force, nonlinearities, brake squeal, vehicle brake

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Authors: Jerome T. Tolentino, Ma. Victoria Rejuso, Jara Kaye Villanueva, Loureal Camille Inocencio, Ma. Rosario Concepcion O. Ang

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Wind energy is rapidly emerging as the primary source of electricity in the Philippines, although developing an accurate wind resource model is difficult. In this study, Weather Research and Forecasting (WRF) Model, an open source mesoscale Numerical Weather Prediction (NWP) model, was used to produce a 1-year atmospheric simulation with 4 km resolution on the Ilocos Region of the Philippines. The WRF output (netCDF) extracts the annual mean wind speed data using a Python-based Graphical User Interface. Lastly, wind resource assessment was produced using a GIS software. Results of the study showed that it is more flexible to use Python scripts than using other post-processing tools in dealing with netCDF files. Using WRF Model, Python, and Geographic Information Systems, a reliable wind resource map is produced.

Keywords: wind resource assessment, weather research and forecasting (WRF) model, python, GIS software

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Authors: M. Mikušová

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The main aim of this paper is to present a clear and comprehensive picture of the process of a crisis in the organization which will help to better understand its possible developments. For a description of the sequence of individual steps and an indication of their causation and possible variants of the developments, a detailed flow diagram with verbal comment is applied. For simplicity, the process of the crisis is observed in four basic phases called: symptoms of the crisis, diagnosis, action and prevention. The model highlights the complexity of the phenomenon of the crisis and that the various phases of the crisis are interweaving.

Keywords: crisis, management, model, organization

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Authors: Majid Samavatian, Reza Gholamipour, Vahid Samavatian

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This study addresses the role of rejuvenation on the fluctuation of atomic-level stresses and nanoscale topological heterogeneity in ZrCuNiAl bulk metallic glass (BMG). Based on atomic force microscopy (AFM) results, the rejuvenation process leads to an increase in nanoscale spatial heterogeneity manifested by the intensification of the local viscoelastic response of the BMG nanostructure. It means that the rejuvenation process induces more loose-packing structures which behave towards an external load in a viscoelastic way. Hence, it is suggested that the alteration of such heterogeneity may be attributed to the variation of positional atomic rearrangement during the evolution of structural rejuvenation. On the other side, the synchrotron X-ray diffraction (XRD) results indicate that the rejuvenation intensifies the variation of internal stresses at the atomic level. This conclusion unfolds that the increase of atomic-level stresses during rejuvenation induces structural disordering and nanoscale heterogeneity in the amorphous material.

Keywords: bulk metallic glass, heterogeneity, rejuvenation, nanostructure

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Authors: Robyn Moloney, HuiLing Xu

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Many countries wish to produce Asia-literate citizens, through language education. International contexts of Chinese language education are seeking pedagogical innovation to meet local contextual factors frequently holding back learner success. In multicultural Australia, innovative pedagogy is urgently needed to support motivation in sustained study, with greater strategic integration of technology. This research took a qualitative approach to identify need and solutions. The paper analyses strategies that three secondary school teachers are adopting to meet specific challenges in the Australian context. The data include teacher interviews, classroom observations and student interviews. We highlight the use of task-based learning and differentiated teaching for multilevel classes, and the role which digital technologies play in facilitating both areas. The strategy examples are analysed in reference both to a research-based framework for describing quality teaching, and to current understandings of motivation in language learning. The analysis of data identifies learning featuring deep knowledge, higher-order thinking, engagement, social support, utilisation of background knowledge, and connectedness, all of which work towards the learners having a sense of autonomy and an imagination of becoming an adult Chinese language user.

Keywords: Chinese pedagogy, digital technologies, motivation, secondary school

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Authors: Yasser F. Hassan

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Deep learning structure is a branch of machine learning science and greet achievement in research and applications. Cellular neural networks are regarded as array of nonlinear analog processors called cells connected in a way allowing parallel computations. The paper discusses how to use deep learning structure for representing neural cellular automata model. The proposed learning technique in cellular automata model will be examined from structure of deep learning. A deep automata neural cellular system modifies each neuron based on the behavior of the individual and its decision as a result of multi-level deep structure learning. The paper will present the architecture of the model and the results of simulation of approach are given. Results from the implementation enrich deep neural cellular automata system and shed a light on concept formulation of the model and the learning in it.

Keywords: cellular automata, neural cellular automata, deep learning, classification

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Authors: Routsukol Sunalai

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The purpose of this study is to examine the impact of public enterprise reform policy on the attributes of organizational commitments in the public energy enterprises in Thailand. It compares three structural types of public energy enterprises: Totally state-owned public enterprises (type I), partially transformed public enterprises (type II), and totally transformed public enterprises (type III), based on the degree of state partially transformed public enterprises (type II), and totally transformed public enterprises (type III),based on the degree of reformed organizations, by analyzing the presence of the desirable attributes of organizational commitment as perceived by employees. Findings indicate that there are statistically significant differences in the level of some dimensions of organizational commitment (affective commitment and normative commitment) between the three types of public energy enterprises. The lack of a structural type difference holds for only continuance commitment. The results also indicate empirical evidence concerning the causal relationship between the antecedents and including organizational commitment also.

Keywords: management control, organizational commitment, public enterprises in Thailand, public enterprise reform

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Authors: Zouhair Issa Ahmed, Ahmed Abdulrasool Ahmed, Falah Hassan Abdulsada

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This paper presents a layout of a factory using Pro-Model simulation by choosing the best layout that gives the highest productivity and least work in process. The general problem is to find the best sequence in which jobs pass between the machines which are compatible with the technological constraints and optimal with respect to some performance criteria. The best simulation with Pro-Model program increased productivity and reduced work in process by balancing lines of production compared with the current layout of factory when productivity increased from 45 products to 180 products through 720 hours.

Keywords: scheduling, Pro-Model, simulation, balancing lines of production, layout planning, WIP

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Authors: Keshav Raj Dhakal, Jit Bahadur Rokaya Chhetri

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The Micro Hydro (MH) is one of the successful technology in Rural Nepal. Out of 75 district, 59 districts have installed 1287 MH projects with a total capacity of 24 Mega Watt (MW). Now, the challenge is how to sustain them. Dolakha is a prominent district for sustainable endues of power to sustain the MH projects. A total of 37 MH projects have been constructed with producing 886 Kilo Watt (KW) of energy in the district. This study traces out the impact of earthquake in MH sector in Dolakha district. It shows that 59 % of projects have been affected by devastating earthquake in April and May, 2015 where 29 % are completely damaged. Most of the damages are in civil structures like Penstock, forebay, power house, Canal, Intake. Transmission and distribution line have been partially damaged. This paper analysis failure of the civil structural component of MH projects and its financial consequence to the community. This study recommends that a disaster impact assessment is essential before construction of MH projects.

Keywords: micro hydro, earthquake, structural failure, financial consequence

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Authors: E. Esra Kasapbaşı, Büşra Yıldırım

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Weak oxidizing radicals, such as alkyl peroxyl derivatives, react with carotenoids through hydrogen atom transfer to form neutral carotenoid radicals. Using the DFT method, it has been observed that s-cis-β-carotene is more stable than all-transforms. In the context of this study, an attempt is made to explain the reaction mechanism of the isomers of β-carotene, which exhibits antioxidant properties, with n-pentyl peroxide, one of the alkyl peroxyl molecules, using the Density Functional Theory (DFT) method. The cis and transforms of β-carotene are used in the study to determine which form is more reactive. For this purpose, Natural Bond Orbital (NBO) charges of all optimized structures are calculated, and electron transfer is determined by examining electron transitions between Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO). Additionally, the radical character and reaction mechanism of β-carotene in a radical environment are attempted to be explained based on the calculations. The theoretical inclination of whether β-carotene in cis or transforms is more active in reaction is also discussed. All these calculations are performed in the gas phase using the Integral Equation Formalism Polarizable Continuum Model IEFPCM method with dichloromethane as the solvent.

Keywords: β-carotene, n-pentyl peroxyl radical, DFT, TD-DFT

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Authors: M. D. Haneef, R. B. Randall, Z. Peng

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Journal bearings used in IC engines are prone to premature failures and are likely to fail earlier than the rated life due to highly impulsive and unstable operating conditions and frequent starts/stops. Vibration signature extraction and wear debris analysis techniques are prevalent in the industry for condition monitoring of rotary machinery. However, both techniques involve a great deal of technical expertise, time and cost. Limited literature is available on the application of these techniques for fault detection in reciprocating machinery, due to the complex nature of impact forces that confounds the extraction of fault signals for vibration based analysis and wear prediction. This work is an extension of a previous study, in which an engine simulation model was developed using a MATLAB/SIMULINK program, whereby the engine parameters used in the simulation were obtained experimentally from a Toyota 3SFE 2.0 litre petrol engines. Simulated hydrodynamic bearing forces were used to estimate vibrations signals and envelope analysis was carried out to analyze the effect of speed, load and clearance on the vibration response. Three different loads 50/80/110 N-m, three different speeds 1500/2000/3000 rpm, and three different clearances, i.e., normal, 2 times and 4 times the normal clearance were simulated to examine the effect of wear on bearing forces. The magnitude of the squared envelope of the generated vibration signals though not affected by load, but was observed to rise significantly with increasing speed and clearance indicating the likelihood of augmented wear. In the present study, the simulation model was extended further to investigate the bearing wear behavior, resulting as a consequence of different operating conditions, to complement the vibration analysis. In the current simulation, the dynamics of the engine was established first, based on which the hydrodynamic journal bearing forces were evaluated by numerical solution of the Reynold’s equation. Also, the essential outputs of interest in this study, critical to determine wear rates are the tangential velocity and oil film thickness between the journal and bearing sleeve, which if not maintained appropriately, have a detrimental effect on the bearing performance. Archard’s wear prediction model was used in the simulation to calculate the wear rate of bearings with specific location information as all determinative parameters were obtained with reference to crank rotation. Oil film thickness obtained from the model was used as a criterion to determine if the lubrication is sufficient to prevent contact between the journal and bearing thus causing accelerated wear. A limiting value of 1 µm was used as the minimum oil film thickness needed to prevent contact. The increased wear rate with growing severity of operating conditions is analogous and comparable to the rise in amplitude of the squared envelope of the referenced vibration signals. Thus on one hand, the developed model demonstrated its capability to explain wear behavior and on the other hand it also helps to establish a correlation between wear based and vibration based analysis. Therefore, the model provides a cost-effective and quick approach to predict the impending wear in IC engine bearings under various operating conditions.

Keywords: condition monitoring, IC engine, journal bearings, vibration analysis, wear prediction

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Authors: Julio Silva, Lia Hasenclever, Gilson G. Silva Jr.

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The aim of this paper is to check possible convergence in health measures (aged-standard rate of morbidity and mortality) for communicable diseases between developed and developing countries, conditional to productive structures features. Understanding the interrelations between health patterns and economic development is particularly important in the context of low- and middle-income countries, where economic development comes along with deep social inequality. Developing countries with less diversified productive structures (measured through complexity index) but high heterogeneous inter-sectorial labor productivity (using as a proxy inter-sectorial coefficient of variation of labor productivity) has on average low health levels in communicable diseases compared to developed countries with high diversified productive structures and low labor market heterogeneity. Structural heterogeneity and productive diversification may have influence on health levels even considering per capita income. We set up a panel data for 139 countries from 1995 to 2015, joining several data about the countries, as economic development, health, and health system coverage, environmental and socioeconomic aspects. This information was obtained from World Bank, International Labour Organization, Atlas of Economic Complexity, United Nation (Development Report) and Institute for Health Metrics and Evaluation Database. Econometric panel models evidence shows that the level of communicable diseases has a positive relationship with structural heterogeneity, even considering other factors as per capita income. On the other hand, the recent process of convergence in terms of communicable diseases have been motivated for other reasons not directly related to productive structure, as health system coverage and environmental aspects. These evidences suggest a joint dynamics between the unequal distribution of communicable diseases and countries' productive structure aspects. These set of evidence are quite important to public policy as meet the health aims in Millennium Development Goals. It also highlights the importance of the process of structural change as fundamental to shift the levels of health in terms of communicable diseases and can contribute to the debate between the relation of economic development and health patterns changes.

Keywords: economic development, inequality, population health, structural change

Procedia PDF Downloads 148