Search results for: interface modeling

Authors: Milu T. Cherian, Sergio C. Chai, Morgan A. Casal, Taosheng Chen

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This study aims to use CINPA1, a recently discovered small-molecule inhibitor of the xenobiotic receptor CAR (constitutive androstane receptor) for understanding the binding modes of CAR and to guide CAR-mediated gene expression profiling studies in human primary hepatocytes. CAR and PXR are xenobiotic sensors that respond to drugs and endobiotics by modulating the expression of metabolic genes that enhance detoxification and elimination. Elevated levels of drug metabolizing enzymes and efflux transporters resulting from CAR activation promote the elimination of chemotherapeutic agents leading to reduced therapeutic effectiveness. Multidrug resistance in tumors after chemotherapy could be associated with errant CAR activity, as shown in the case of neuroblastoma. CAR inhibitors used in combination with existing chemotherapeutics could be utilized to attenuate multidrug resistance and resensitize chemo-resistant cancer cells. CAR and PXR have many overlapping modulating ligands as well as many overlapping target genes which confounded attempts to understand and regulate receptor-specific activity. Through a directed screening approach we previously identified a new CAR inhibitor, CINPA1, which is novel in its ability to inhibit CAR function without activating PXR. The cellular mechanisms by which CINPA1 inhibits CAR function were also extensively examined along with its pharmacokinetic properties. CINPA1 binding was shown to change CAR-coregulator interactions as well as modify CAR recruitment at DNA response elements of regulated genes. CINPA1 was shown to be broken down in the liver to form two, mostly inactive, metabolites. The structure-activity differences of CINPA1 and its metabolites were used to guide computational modeling using the CAR-LBD structure. To rationalize how ligand binding may lead to different CAR pharmacology, an analysis of the docked poses of human CAR bound to CITCO (a CAR activator) vs. CINPA1 or the metabolites was conducted. From our modeling, strong hydrogen bonding of CINPA1 with N165 and H203 in the CAR-LBD was predicted. These residues were validated to be important for CINPA1 binding using single amino-acid CAR mutants in a CAR-mediated functional reporter assay. Also predicted were residues making key hydrophobic interactions with CINPA1 but not the inactive metabolites. Some of these hydrophobic amino acids were also identified and additionally, the differential coregulator interactions of these mutants were determined in mammalian two-hybrid systems. CINPA1 represents an excellent starting point for future optimization into highly relevant probe molecules to study the function of the CAR receptor in normal- and pathophysiology, and possible development of therapeutics (for e.g. use for resensitizing chemoresistant neuroblastoma cells).

Keywords: antagonist, chemoresistance, constitutive androstane receptor (CAR), multi-drug resistance, structure activity relationship (SAR), xenobiotic resistance

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Authors: Mohammed S. Assiri

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In EFL programs, rating scales used in writing assessment are often constructed by intuition. Intuition-based scales tend to provide inaccurate and divisive ratings of learners’ writing performance. Hence, following an empirical approach, this study attempted to develop a rating scale for elementary-level writing at an EFL program in Saudi Arabia. Towards this goal, 98 students’ essays were scored and then coded using comprehensive taxonomy of writing constructs and their measures. An automatic linear modeling was run to find out which measures would best predict essay scores. A nonparametric ANOVA, the Kruskal-Wallis test, was then used to determine which measures could best differentiate among scoring levels. Findings indicated that there were certain measures that could serve as either good predictors of essay scores or differentiators among scoring levels, or both. The main conclusion was that a rating scale can be empirically developed using predictive and discriminative statistical tests.

Keywords: analytic scoring, rating scales, writing assessment, writing constructs, writing performance

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Authors: Nader Mohamed

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The Late Cretaceous deposits are well developed through-out Egypt. This is due to a ‎transgression phase associated with the subsidence caused by the neo-Tethyan rift event that ‎took place across the northern margin of Africa, resulting in a period of dominantly marine ‎deposits in the Gulf of Suez. The Late Cretaceous Nezzazat Group represents the Cenomanian, ‎Turonian and clastic sediments of the Lower Senonian. The Nezzazat Group has been divided ‎into four formations namely, from base to top, the Raha Formation, the Abu Qada Formation, ‎the Wata Formation and the Matulla Formation. The Cenomanian Raha and the Lower Senonian ‎Matulla formations are the most important clastic sequence in the Nezzazat Group because they ‎provide the highest net reservoir thickness and the highest net/gross ratio. This study emphasis ‎on Matulla formation located in the eastern part of the Gulf of Suez. The three stratigraphic ‎surface sections (Wadi Sudr, Wadi Matulla and Gabal Nezzazat) which represent the exposed ‎Coniacian-Santonian sediments in Sinai are used for correlating Matulla sediments of Ras ‎Budran field. Cutting description, petrographic examination, log behaviors, biostratigraphy with ‎outcrops are used to identify the reservoir characteristics, lithology, facies environment logs and ‎subdivide the Matulla formation into three units. The lower unit is believed to be the main ‎reservoir where it consists mainly of sands with shale and sandy carbonates, while the other ‎units are mainly carbonate with some streaks of shale and sand. Reservoir modeling is an ‎effective technique that assists in reservoir management as decisions concerning development ‎and depletion of hydrocarbon reserves, So It was essential to model the Matulla reservoir as ‎accurately as possible in order to better evaluate, calculate the reserves and to determine the ‎most effective way of recovering as much of the petroleum economically as possible. All ‎available data on Matulla formation are used to build the reservoir structure model, lithofacies, ‎porosity, permeability and water saturation models which are the main parameters that describe ‎the reservoirs and provide information on effective evaluation of the need to develop the oil ‎potentiality of the reservoir. This study has shown the effectiveness of; 1) the integration of ‎geological data to evaluate and subdivide Matulla formation into three units. 2) Lithology and ‎facies environment interpretation which helped in defining the nature of deposition of Matulla ‎formation. 3) The 3D reservoir modeling technology as a tool for adequate understanding of the ‎spatial distribution of property and in addition evaluating the unlocked new reservoir areas of ‎Matulla formation which have to be drilled to investigate and exploit the un-drained oil. 4) This ‎study led to adding a new room of production and additional reserves to Ras Budran field. ‎

Keywords: geology, oil and gas, geoscience, sequence stratigraphy

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Authors: Andrei Tiberiu Cucuruz, Ecaterina Andronescu, Cristina Daniela Ghitulica, Andreia Cucuruz

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In modern dentistry, the application of resin-based composites continues to increase and in the majority of countries has completely replaced mercury amalgams. Alumina (Al2O3) is a representative bioinert ceramic with a variety of applications in industry as well as in medicine. Alumina has the potential to improve electrical resistivity and thermal conductivity of polymers. The application of poly(methacrylic acid) (PMAA) in medicine was poorly investigated in the past but can lead to good results by the incorporation of alumina particles that can bring bioinertness to the composite. However, because of the differences related to chemical bonding of these materials, the interaction is very weak at the interface leading to no significant values in practical situations. The aim of this work was to modify the structure of alumina with silane coupling agents and to study the influence of silanization on the physicomechanical properties of the resulting composite materials. Two silanes were used in this study: 3-aminopropyl-trimethoxysilane (APTMS) and dichlorodimethylsilane (DCDMS). Both silanes proved to have a significant effect on the overall performance of composites by establishing bonds with the polymer matrix and the filler. All these improvements in dental adhesive systems made for bonding resin composites to tooth structure have enhanced the clinical application of polymeric restorative materials to the position that they are now considered the material of choice for esthetic restoration.

Keywords: alumina, compressive strength, dental materials, silane coupling agents, poly(methacrylic acid)

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Authors: Jeerasak Wisatphan, Nara Samattapapong

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This study's goals were to enhance nitroglycerin manufacturing efficiency through simulation, recover nitroglycerin from the storage facility, and enhance nitroglycerine recovery and purge systems. It was found that the problem was nitroglycerin reflux. Therefore, the researcher created three alternatives to solve the problem. The system of Nitroglycerine Recovery and Purge was then simulated using the FlexSim program, and each alternative was tested. The results demonstrate that the alternative system-led Nitroglycerine Recovery and Nitroglycerine Purge System collaborate to produce Nitroglycerine, which is more efficient than other alternatives and can reduce production time. It can also improve the recovery of nitroglycerin. It also serves as a guideline for developing a real-world system and modeling it for training staff without wasting raw chemical materials or fuel energy.

Keywords: efficiency increase, nitroglycerine recovery and purge system, production improvement, simulation

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Authors: Peter Thissen

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In this work, we report about the influence of the chemical potential of water on the carbonation reaction of wollastonite (CaSiO3) as model surface of cement and concrete. Total energy calculations based on density functional theory (DFT) combined with kinetic barrier predictions based on nudge elastic band (NEB) method show that the exposure of the water-free wollastonite surface to CO2 results in a barrier-less carbonation. CO2 reacts with the surface oxygen and forms carbonate (CO32-) complexes together with a major reconstruction of the surface. The reaction comes to a standstill after one carbonate monolayer has been formed. In case one water monolayer is covering the wollastonite surface, the carbonation is no more barrier-less, yet ending in a localized monolayer. Covered with multilayers of water, the thermodynamic ground state of the wollastonite completely changes due to a metal-proton exchange reaction (MPER, also called early stage hydration) and Ca2+ ions are partially removed from solid phase into the H2O/wollastonite interface. Mobile Ca2+ react again with CO2 and form carbonate complexes, ending in a delocalized layer. By means of high resolution time-of-flight secondary-ion mass-spectroscopy images (ToF-SIMS), we confirm that hydration can lead to a partially delocalization of Ca2+ ions on wollastonite surfaces. Finally, we evaluate the impact of our model surface results by means of Low Energy Ion Scattering (LEIS) spectroscopy combined with careful discussion about the competing reactions of carbonation vs. hydration.

Keywords: Calcium-silicate, carbonation, hydration, metal-proton exchange reaction

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Authors: Jin-Hua Tu, Kuan-Ting Pan

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Tour leader cultural competence (TLCC) refers to a tour leader’s ability to interact appropriately and effectively with people from different cultural backgrounds. This leads tourists to have positive tourism experiences. However, few studies have discussed the effects of TLCC on tour member experiences. In this study, tour leaders and tour members of Taiwan group package tours were used as research participants. A total of 55 tour leaders and 524 tour members were recruited, and hierarchical linear modeling was employed to investigate the association between research variables at two levels (tour leader and tour member), the results revealed that TLCC improves perceived authenticity. The findings of this study have managerial implications for travel agencies and tour leaders and offer directions for future studies.

Keywords: tour leader, cultural competence, authenticity perception, group package tour

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Authors: Emad Khorshid, Habib Awada

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Newly developed Ergonomic speed control hump/Dip designs are conducted. The numerical simulation for the driver-vehicle-hump dynamic system will be performed using computer software. The design problem for which the speed hump or dip should provide: (1) discomfort feeling to the driver if speed is over the specified limit, and (2) normal/good comfort level to the driver (and or other passengers) if the speed is within the limit. For comparison reasons, different vehicles suspension systems (active, semi-active and non-active suspension) are used in the simulation. The measuring of the acceptable range of vibration will be referenced to the British standard BS6841, ISO 2631/1 and the new ISO 2631/5. All these standards are related to human health and comfort level in terms of acceptable range of whole body vibration exposure.

Keywords: speed hump, speed dip, ergonomic design, human health, vehicle modeling

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Authors: Vijay Kr. Yadav, Nilam Rathi

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Accurate prediction of glucose level for diabetes mellitus is required to avoid affecting the functioning of major organs of human body. This study describes the fundamental assumptions and two different methodologies of the Blood glucose prediction. First is based on the back-propagation algorithm of Artificial Neural Network (ANN), and second is based on the Neuro-Fuzzy technique, called Fuzzy Inference System (FIS). Errors between proposed methods further discussed through various statistical methods such as mean square error (MSE), normalised mean absolute error (NMAE). The main objective of present study is to develop mathematical model for blood glucose prediction before 12 hours advanced using data set of three patients for 60 days. The comparative studies of the accuracy with other existing models are also made with same data set.

Keywords: back-propagation, diabetes mellitus, fuzzy inference system, neuro-fuzzy

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Authors: Long Kim Vu

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The central processing unit in Electro-Optical devices is a Field-programmable gate array (FPGA) chip package allowing flexible, reconfigurable computing but energy consumption. Because chip package is placed in isolated devices based on IP67 waterproof standard, there is no air circulation and the heat dissipation is a challenge. In this paper, the author successfully modeled a chip package which various interposer materials such as silicon, glass and organics. Computational fluid dynamics (CFD) was utilized to analyze the thermal performance of chip package in the case of considering comprehensive heat transfer modes: conduction, convection and radiation, which proposes equivalent heat dissipation. The logic chip temperature varying with time is compared between the simulation and experiment results showing the excellent correlation, proving the reasonable chip modeling and simulation method.

Keywords: CFD, FPGA, heat transfer, thermal analysis

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Authors: Tetsya Sok, Seong Jae Hong, Young Kyu Kim, Seung Woo Lee

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The temperature distribution for asphalt concrete (AC)-Concrete composite pavement is one of main influencing factor that affects to performance life of pavement. The temperature gradient in concrete slab underneath the AC layer results the critical curling stress and lead to causes de-bonding of AC-Concrete interface. These stresses, when enhanced by repetitive axial loadings, also contribute to the fatigue damage and eventual crack development within the slab. Moreover, the temperature change within concrete slab extremely causes the slab contracts and expands that significantly induces reflective cracking in AC layer. In this paper, the numerical prediction of pavement temperature was investigated using one-dimensional finite different method (FDM) in fully explicit scheme. The numerical predicted model provides a fundamental and clear understanding of heat energy balance including incoming and outgoing thermal energies in addition to dissipated heat in the system. By using the reliable meteorological data for daily air temperature, solar radiation, wind speech and variable pavement surface properties, the predicted pavement temperature profile was validated with the field measured data. Additionally, the effects of AC thickness and daily air temperature on the temperature profile in underlying concrete were also investigated. Based on obtained results, the numerical predicted temperature of AC-Concrete composite pavement using FDM provided a good accuracy compared to field measured data and thicker AC layer significantly insulates the temperature distribution in underlying concrete slab.

Keywords: asphalt concrete, finite different method (FDM), curling effect, heat transfer, solar radiation

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Authors: Muhammad Farooq, Ahtasham Gul

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To meet the desired standard, it is important to monitor and analyze different engineering processes to get desired output. The bivariate distributions got a lot of attention in recent years to describe the randomness of natural as well as artificial mechanisms. In this article, a bivariate model is constructed using two independent models developed by the nesting approach to study the effect of each component on reliability for better understanding. Further, the Bayes analysis of system availability is studied by considering prior parametric variations in the failure time and repair time distributions. Basic statistical characteristics of marginal distribution, like mean median and quantile function, are discussed. We use inverse Gamma prior to study its frequentist properties by conducting Monte Carlo Markov Chain (MCMC) sampling scheme.

Keywords: reliability, system availability Weibull, inverse Lomax, Monte Carlo Markov Chain, Bayesian

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Authors: Andrey Yatsun, Andrei Malchikov

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Exoskeletons are used to support and compensate for the load on the human musculoskeletal system. Elastomers are an important component of exoskeletons, providing additional support and compensating for the load. The algorithm of the active elastomer tension system provides the required auxiliary force depending on the angle of rotation and the tilt speed of the operator's torso. Feedback for the drive is provided by a force sensor integrated into the attachment of the exoskeleton vest. The use of direct force measurement ensures the required accuracy in all settings of the man-machine system. Non-adjustable elastic elements make it difficult to move without load, tilt forward and walk. A strategy for the organization of the auxiliary forces management system is proposed based on the allocation of 4 operating modes of the human-machine system.

Keywords: soft exoskeleton, mathematical modeling, pre-tension elastomer, human-machine interaction

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Authors: Jackeline Kafie-Martinez, Peter B. Keating

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A three-dimensional finite element model is developed to capture the stress field generated in connected plates during the installation of hot-driven rivets. Clamping stress is generated when a steel rivet heated to approximately 1000 °C comes in contact with the material to be fastened at ambient temperature. As the rivet cools, thermal contraction subjects the rivet into tensile stress, while the material being fastened is subjected to compressive stress. Model characteristics and assumptions, as well as steel properties variation with respect to temperature are discussed. The thermal stresses developed around the rivet hole are assessed and reported. Results from the analysis are utilized to detect possible regions for fatigue crack propagation under cyclic loads.

Keywords: clamping stress, fatigue, finite elements, rivet, riveted railroad bridges

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Authors: Neta Kela Madar, Tali Teeni-Harari, Tamar Icekson, Yaron Sela

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This paper proposes and empirically tests a theoretical model positing relationships between dispositional optimism, emotional intelligence, and entrepreneurial intention. To author's best knowledge, this study examined for the first time the role of dispositional optimism together with emotional intelligence as predictors of entrepreneurial intentions. The study findings suggest that optimism may increase entrepreneurial intentions indirectly by enhancing emotional intelligence/ model formulation is based on a random survey of students (N= 227). Model parameter estimation was supported by Structural Equation Modeling (SEM). Results indicate that students’ optimism and emotional intelligence are associated with increased levels of entrepreneurial intention. Additionally, the present study argues that emotional intelligence mediates the positive relationship between optimism and entrepreneurial intention. Theoretical and practical implications of this model are discussed.

Keywords: entrepreneurial intentions, emotional intelligence, optimism, dispositional optimism

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Authors: Christopher Reichstein, Ralf-Christian Härting, Martina Häußler

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With a continuously increasing speed of information exchange on the World Wide Web, retailers in the E-Commerce sector are faced with immense possibilities regarding different online purchase processes like dynamic price settings. By use of Dynamic Pricing, retailers are able to set short time price changes in order to optimize producer surplus. The empirical research illustrates the basics of Dynamic Pricing and identifies six influencing factors of Dynamic Pricing. The results of a structural equation modeling approach show five main drivers increasing the potential of dynamic price settings in the E-Commerce. Influencing factors are the knowledge of customers’ individual willingness to pay, rising sales, the possibility of customization, the data volume and the information about competitors’ pricing strategy.

Keywords: e-commerce, empirical research, experts, dynamic pricing (DP), influencing factors, potentials

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Authors: Asli Faiza, Khamouli Saida

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With the development of computer tools over the past 20 years. Molecular modeling and, more precisely, molecular docking has very quickly entered field of pharmaceutical research. EGFR enzyme involved in cancer disease.Our work consists of studying the inhibition of EGFR (1M17) with deferent inhibitors derived from quinazoline and quinoline by molecular docking. The values of ligands L148 and L177 are the best ligands for inhibit the activity of 1M17 since it forms a stable complex with this enzyme by better binding to the active site. The results obtained show that the ligands L148 and L177 give weak interactions with the active site residues EGFR (1M17), which stabilize the complexes formed of this ligands, which gives a better binding at the level of the active site, and an RMSD of L148 [1,9563 Å] and of L177 [ 1,2483 Å]. [1, 9563, 1.2483] Å

Keywords: docking, EGFR, quinazoline, quinoliène, MOE

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Authors: Danish Idrees, Vijay Kumar, Samudrala Gourinath

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Amyotrophic lateral sclerosis (ALS) is a neurodegenerative disease caused by misfolding and aggregation of Cu, Zn superoxide dismutase (SOD1). The use of small molecules has been shown to stabilize the SOD1 dimer and preventing its dissociation and aggregation. In this study, we employed molecular docking, molecular dynamics simulation and surface plasmon resonance (SPR) to study the interactions between SOD1 and natural polyphenolic compounds. In order to explore the noncovalent interaction between SOD1 and natural polyphenolic compounds, molecular docking and molecular dynamic (MD) simulations were employed to gain insights into the binding modes and free energies of SOD1-polyphenolic compounds. MM/PBSA methods were used to calculate free energies from obtained MD trajectories. The compounds, Hesperidin, Ergosterol, and Rutin showed the excellent binding affinity in micromolar range with SOD1. Ergosterol and Hesperidin have the strongest binding affinity to SOD1 and was subjected to further characterization. Biophysical experiments using Circular Dichroism and Thioflavin T fluorescence spectroscopy results show that the binding of these two compounds can stabilize SOD1 dimer and inhibit the aggregation of SOD1. Molecular simulation results also suggest that these compounds reduce the dissociation of SOD1 dimers through direct interaction with the dimer interface. This study will be helpful to develop other drug-like molecules which may have the effect to reduce the aggregation of SOD1.

Keywords: amyotrophic lateral sclerosis, molecular dynamics simulation, surface plasmon resonance, superoxide dismutase

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Authors: Raffaella Sesana, Nazanin Sheibanian, Luca Corsaro, Sedat Özbilen, Rocco Lupoi, Francesco Artusio

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High Entropy Alloy (HEA) coatings of Al0.1-0.5CoCrCuFeNi and MnCoCrCuFeNi on Mg substrates were prepared from mechanically alloyed HEA powder feedstocks and at three different Cold Spray (CS) process gas (N2) temperatures (650, 750 and 850°C). Mechanically alloyed and cold-sprayed HEA coatings were characterized by macro photography, OM, SEM+EDS study, micro-hardness testing, roughness, and porosity measurements. As a result of mechanical alloying (MA), harder particles are deformed and fractured. The particles in the Cu-rich region were coarser and more globular than those in the A1 phase, which is relatively soft and ductile. In addition to the A1 particles, there were some separate Cu-rich regions. Due to the brittle nature of the powder and the acicular shape, Mn-HEA powder exhibited a different trend with smaller particle sizes. It is observed that MA results in a loose structure characterized by many gaps, cracks, signs of plastic deformation, and small particles attached to the surface of the particle. Considering the experimental results obtained, it is not possible to conclude that the chemical composition of the high entropy alloy influences the roughness of the coating. It has been observed that the deposited volume increases with temperature only in the case of Al0.1 and Mg-based HEA, while for the rest of the Al-based HEA, there are no noticeable changes. There is a direct correlation between micro-hardness and the chemical composition of a coating: the micro-hardness of a coating increases as the percentage of aluminum increases in the sample. Compared to the substrate, the coating has a much higher hardness, and the hardness measured at the interface is intermediate.

Keywords: characterisation, cold spraying, HEA coatings, SEM+EDS

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Authors: C. W. Kwak, I. J. Park, D. I. Jang

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The importance of cost-wise effective application and construction is getting increase due to the surge of traffic volume in the metropolitan cities. Accordingly, the necessity of the tunnel has large section becomes more critical. Double deck tunnel can be one of the most appropriate solutions to the necessity. The dynamic stability of double deck tunnel is essential against seismic load since it has large section and connection between perimeter lining and interim slab. In this study, 3-dimensional dynamic numerical analysis was conducted based on the Finite Difference Method to investigate the seismic behavior of double deck tunnel. Seismic joint for dynamic stability and the mitigation of seismic impact on the lining was considered in the modeling and analysis. Consequently, the mitigation of acceleration, lining displacement and stress were verified successfully.

Keywords: double deck tunnel, interim slab, 3-dimensional dynamic numerical analysis, seismic joint

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Authors: Navid Kaboudi, Ali Shayanfar

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Introduction: Feeding infants with safe milk from the beginning of their life is an important issue. Drugs which are used by mothers can affect the composition of milk in a way that is not only unsuitable, but also toxic for infants. Consuming permeable drugs during that sensitive period by mother could lead to serious side effects to the infant. Due to the ethical restrictions of drug testing on humans, especially women, during their lactation period, computational approaches based on structural parameters could be useful. The aim of this study is to develop mechanistic models to predict the M/P ratio of drugs during breastfeeding period based on their structural descriptors. Methods: Two hundred and nine different chemicals with their M/P ratio were used in this study. All drugs were categorized into two groups based on their M/P value as Malone classification: 1: Drugs with M/P>1, which are considered as high risk 2: Drugs with M/P>1, which are considered as low risk Thirty eight chemical descriptors were calculated by ACD/labs 6.00 and Data warrior software in order to assess the penetration during breastfeeding period. Later on, four specific models based on the number of hydrogen bond acceptors, polar surface area, total surface area, and number of acidic oxygen were established for the prediction. The mentioned descriptors can predict the penetration with an acceptable accuracy. For the remaining compounds (N= 147, 158, 160, and 174 for models 1 to 4, respectively) of each model binary regression with SPSS 21 was done in order to give us a model to predict the penetration ratio of compounds. Only structural descriptors with p-value<0.1 remained in the final model. Results and discussion: Four different models based on the number of hydrogen bond acceptors, polar surface area, and total surface area were obtained in order to predict the penetration of drugs into human milk during breastfeeding period About 3-4% of milk consists of lipids, and the amount of lipid after parturition increases. Lipid soluble drugs diffuse alongside with fats from plasma to mammary glands. lipophilicity plays a vital role in predicting the penetration class of drugs during lactation period. It was shown in the logistic regression models that compounds with number of hydrogen bond acceptors, PSA and TSA above 5, 90 and 25 respectively, are less permeable to milk because they are less soluble in the amount of fats in milk. The pH of milk is acidic and due to that, basic compounds tend to be concentrated in milk than plasma while acidic compounds may consist lower concentrations in milk than plasma. Conclusion: In this study, we developed four regression-based models to predict the penetration class of drugs during the lactation period. The obtained models can lead to a higher speed in drug development process, saving energy, and costs. Milk/plasma ratio assessment of drugs requires multiple steps of animal testing, which has its own ethical issues. QSAR modeling could help scientist to reduce the amount of animal testing, and our models are also eligible to do that.

Keywords: logistic regression, breastfeeding, descriptors, penetration

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Authors: Guilherme Ribeiro, Alexandre Oliveira, Antonio Ferreira, Shyam Visweswaran, Gregory Cooper

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Patient-specific models are instance-based learning algorithms that take advantage of the particular features of the patient case at hand to predict an outcome. We introduce two patient-specific algorithms based on decision tree paradigm that use AUC as a metric to select an attribute. We apply the patient specific algorithms to predict outcomes in several datasets, including medical datasets. Compared to the patient-specific decision path (PSDP) entropy-based and CART methods, the AUC-based patient-specific decision path models performed equivalently on area under the ROC curve (AUC). Our results provide support for patient-specific methods being a promising approach for making clinical predictions.

Keywords: approach instance-based, area under the ROC curve, patient-specific decision path, clinical predictions

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Authors: Ali Al-Zughaibi

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The purpose of this paper is to present a modeling and control of the quarter car active suspension system with unknown mass, unknown time-delay and road disturbance. The objective of designing the controller by deriving a control law to achieve stability of the system and convergence that can considerably improve the ride comfort and road disturbance handling. Thus is accomplished by using Routh-Herwitz criterion and based on some assumptions. A mathematical proof is given to show the ability of the designed controller to ensure stability and convergence of the active suspension system and dispersion oscillation of system with unknown mass, time-delay and road disturbances. Simulations were also performed for controlling quarter car suspension, where the results obtained from these simulations verify the validity of the proposed design.

Keywords: active suspension system, time-delay, disturbance rejection, dynamic uncertainty

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Authors: Apollinaire Barme, Simon Tamayo, Arthur Gaudron

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This paper presents a statistical approach to identify explanatory variables linearly related to e-commerce sales. The proposed methodology allows specifying a regression model in order to quantify the relevance between openly available data (economic and demographic) and national e-commerce sales. The proposed methodology consists in collecting data, preselecting input variables, performing regressions for choosing variables and models, testing and validating. The usefulness of the proposed approach is twofold: on the one hand, it allows identifying the variables that influence e- commerce sales with an accessible approach. And on the other hand, it can be used to model future sales from the input variables. Results show that e-commerce is linearly dependent on 11 economic and demographic indicators.

Keywords: e-commerce, statistical modeling, regression, empirical research

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Authors: Tadaaki Tomiie, Hiroki Shinkawa

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The present study was aimed to examine the structure of children’s adaptation during school transition and to identify a commonality and dissimilarity at the elementary and junior high school. 1,983 students in the 6th grade and 2,051 students in the 7th grade were extracted by stratified two-stage random sampling and completed the ASSESS that evaluated the school adaptation from the view point of ‘general satisfaction’, ‘teachers’ support’, ‘friends’ support’, ‘anti-bullying relationship’, ‘prosocial skills’, and ‘academic adaptation’. The 7th graders tend to be worse adaptation than the 6th graders. A structural equation modeling showed the goodness of fit for each grades. Both models were very similar but the 7th graders’ model showed a lower coefficient at the pass from ‘teachers’ support’ to ‘friends’ support’. The role of ‘teachers’ support’ was decreased to keep a good relation in junior high school. We also discussed how we provide a continuous assistance for prevention of the 7th graders’ gap.

Keywords: school transition, social support, psychological adaptation, K-12

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Authors: Sikiru Oluwarotimi Ismail, Hom Nath Dhakal, Anish Roy, Dong Wang, Ivan Popov

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The ultrasonically-assisted drilling (UAD) is a non-traditional technique which involves the superimposition of a high frequency and low amplitude vibration, usually greater than 18kHz and less than 20µm respectively, on a drill bit along the feed direction. UAD has remarkable advantages over the conventional drilling (CD), especially the high drilling-force reduction. Force reduction improves the quality of the drilled holes, reduces power consumption rate and cost of production. Nevertheless, in addition to the setbacks of UAD including expensiveness of set-up, unpredicted results and chipping effects, this paper presents the problems of insignificant force reduction and poor surface quality during UAD of hemp fibre-reinforced composites (HFRCs), a natural composite, with polycaprolactone (PCL) matrix. The experimental results obtained depict that HFRCs/PCL samples have more burnt chip-materials attached on the drilled holes during UAD than CD. This effect produced a very high surface roughness (Ra), up to 13µm. In a bid to reduce these challenges, different drilling parameters (feed rates and cutting speeds, frequencies and amplitudes for UAD), conditions (dry machining and airflow cooling) and diameters of drill bits (3mm and 6mm of high speed steel), as well as HFRCs/PCL samples of various fibre aspect ratios, including 0 (neat), 19, 26, 30 and 38 have been used. However, the setbacks still persisted. Evidently, the benefits of UAD are not obtainable for the drilling of the HFRCs/PCL laminates. These problems occurred due to the 60 °C melting temperature of PCL, quite lower than 56-90.2 °C and 265–290.8 °C composite-tool interface temperature during CD and UAD respectively.

Keywords: force reduction, hemp fibre-reinforced composites, ultrasonically-assisted drilling, surface quality

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Authors: Fajar Ajie Setiawan, Ratu Azima Mayangsari, Bunga Aprilia

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The emergence of creative hubs around the world, including in Bandung, was primarily driven by the needs of collaborative-innovative spaces for creative industry activities such as the Maker Movement and the Coworking Movement. These activities pose challenges for identification and formulation of sets of indicators for modeling creative hubs in Bandung to help stakeholders in formulating strategies. This study intends to identify their characteristics. This research was conducted using a qualitative approach comparing three concepts of creative hub categorization and integrating them into a single instrument to analyze 12 selected creative hubs. Our results showed three new functions of creative hubs in Bandung: (1) cultural, (2) retail business, and (3) community network. Results also suggest that creative hubs in Bandung are commonly established for networking and community activities. Another result shows that there was a shifting pattern of creative hubs before the 2000s and after the 2000s, which also creates a hybrid group of creative hubs.

Keywords: creative industry, creative hubs, Ngariung, Bandung

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Authors: Abdelghani Qadem, Zohair Qadem, Mohamed Lasri

Abstract:

At the level of the Moroccan Sais Plateau, groundwater constitutes strategic natural resources for agricultural, industrial, and domestic use. Today, due to climate change and population growth, the pressure on groundwater has increased considerably. This contribution aims to delineate and map potential areas for groundwater storage in the area in question using GIS and remote sensing. The methodology adopted is based on the identification of the thematic layers used to assess the potential recharge of the aquifer. The mapping of potential areas for groundwater storage is developed through the method of modeling and weighted overlay using the spatial analysis tool on the Geographic Information System. The results obtained can be used for the planning of future artificial recharge projects in the study area in order to ensure the good sustainable use of this underground gift.

Keywords: Morocco, climate change, groundwater, mapping, recharge

Procedia PDF Downloads 80

Authors: Abdul Basit Kiani, Maryam Kiani

Abstract:

Content Management Systems (CMS) have transformed the landscape of web development by providing an accessible and efficient platform for creating and managing digital content. This abstract explores the key features and benefits of CMS in web development, highlighting its impact on website creation and maintenance. CMS offers a user-friendly interface that empowers individuals to create, edit, and publish content without requiring extensive technical knowledge. With customizable templates and themes, users can personalize the design and layout of their websites, ensuring a visually appealing online presence. Furthermore, CMS facilitates efficient content organization through categorization and tagging, enabling visitors to navigate and search for information effortlessly. It also supports version control, allowing users to track and manage revisions effectively. Scalability is a notable advantage of CMS, as it offers a wide range of plugins and extensions to integrate additional features into websites. From e-commerce functionality to social media integration, CMS adapts to evolving business needs. Additionally, CMS enhances collaborative workflows by allowing multiple user roles and permissions. This enables teams to collaborate effectively on content creation and management, streamlining processes and ensuring smooth coordination. In conclusion, CMS serves as a powerful tool in web development, simplifying content creation, customization, organization, scalability, and collaboration. With CMS, individuals and businesses can create dynamic and engaging websites, establishing a strong online presence with ease.

Keywords: web development, content management systems, information technology, programming

Procedia PDF Downloads 78

Authors: Lee Yan Nian

Abstract:

Safety investigation is different from an administrative investigation in that the former is conducted by an independent agency and the purpose of such investigation is to prevent accidents in the future and not to apportion blame or determine liability. Before October 2018, Taiwan railway occurrences were investigated by local supervisory authority. Characteristics of this kind of investigation are that enforcement actions, such as administrative penalty, are usually imposed on those persons or units involved in occurrence. On October 21, 2018, due to a Taiwan Railway accident, which caused 18 fatalities and injured another 267, establishing an agency to independently investigate this catastrophic railway accident was quickly decided. The Taiwan Transportation Safety Board (TTSB) was then established on August 1, 2019 to take charge of investigating major aviation, marine, railway and highway occurrences. The objective of this study is to assess the effectiveness of safety investigations conducted by the TTSB. In this study, the major railway occurrence investigation reports published by the TTSB are used for modeling and analysis. According to the classification of railway occurrences investigated by the TTSB, accident types of Taiwan railway occurrences can be categorized into: derailment, fire, Signal Passed at Danger and others. A Causal Factor Analysis System (CFAS) developed by the TTSB is used to identify the influencing causal factors and their causal relationships in the investigation reports. All terminologies used in the CFAS are equivalent to the Human Factors Analysis and Classification System (HFACS) terminologies, except for “Technical Events” which was added to classify causal factors resulting from mechanical failure. Accordingly, the Bayesian network structure of each occurrence category is established based on the identified causal factors in the CFAS. In the Bayesian networks, the prior probabilities of identified causal factors are obtained from the number of times in the investigation reports. Conditional Probability Table of each parent node is determined from domain experts’ experience and judgement. The resulting networks are quantitatively assessed under different scenarios to evaluate their forward predictions and backward diagnostic capabilities. Finally, the established Bayesian network of derailment is assessed using investigation reports of the same accident which was investigated by the TTSB and the local supervisory authority respectively. Based on the assessment results, findings of the administrative investigation is more closely tied to errors of front line personnel than to organizational related factors. Safety investigation can identify not only unsafe acts of individual but also in-depth causal factors of organizational influences. The results show that the proposed methodology can identify differences between safety investigation and administrative investigation. Therefore, effective intervention strategies in associated areas can be better addressed for safety improvement and future accident prevention through safety investigation.

Keywords: administrative investigation, bayesian network, causal factor analysis system, safety investigation

Procedia PDF Downloads 116