Search results for: molecular modeling of Cdk5/p25

Authors: Harika Dasari, Eric Eisenbraun

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The present study models the role of electrode structural characteristics on the thermal behavior of lithium-ion batteries. Preliminary modeling runs have employed a 1D lithium-ion battery coupled to a two-dimensional axisymmetric model using silicon as the battery anode material. The two models are coupled by the heat generated and the average temperature. Our study is focused on the silicon anode particle sizes and it is observed that silicon anodes with nano-sized particles reduced the temperature of the battery in comparison to anodes with larger particles. These results are discussed in the context of the relationship between particle size and thermal transport properties in the electrode.

Keywords: particle size, NMC, silicon, heat generation, separator

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Authors: Mohammad Zamani, Ramin Mansouri

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Spillways are one of the most important hydraulic structures of dams that provide the stability of the dam and downstream areas at the time of flood. A circular vertical spillway with various inlet forms is very effective when there is not enough space for the other spillway. Hydraulic flow in a vertical circular spillway is divided into three groups: free, orifice, and under pressure (submerged). In this research, the hydraulic flow characteristics of a Circular Vertical Spillway are investigated with the CFD model. Two-dimensional unsteady RANS equations were solved numerically using Finite Volume Method. The PISO scheme was applied for the velocity-pressure coupling. The mostly used two-equation turbulence models, k-ε and k-ω, were chosen to model Reynolds shear stress term. The power law scheme was used for the discretization of momentum, k, ε, and ω equations. The VOF method (geometrically reconstruction algorithm) was adopted for interface simulation. In this study, three types of computational grids (coarse, intermediate, and fine) were used to discriminate the simulation environment. In order to simulate the flow, the k-ε (Standard, RNG, Realizable) and k-ω (standard and SST) models were used. Also, in order to find the best wall function, two types, standard wall, and non-equilibrium wall function, were investigated. The laminar model did not produce satisfactory flow depth and velocity along the Morning-Glory spillway. The results of the most commonly used two-equation turbulence models (k-ε and k-ω) were identical. Furthermore, the standard wall function produced better results compared to the non-equilibrium wall function. Thus, for other simulations, the standard k-ε with the standard wall function was preferred. The comparison criterion in this study is also the trajectory profile of jet water. The results show that the fine computational grid, the input speed condition for the flow input boundary, and the output pressure for the boundaries that are in contact with the air provide the best possible results. Also, the standard wall function is chosen for the effect of the wall function, and the turbulent model k-ε (Standard) has the most consistent results with experimental results. When the jet gets closer to the end of the basin, the computational results increase with the numerical results of their differences. The mesh with 10602 nodes, turbulent model k-ε standard and the standard wall function, provide the best results for modeling the flow in a vertical circular Spillway. There was a good agreement between numerical and experimental results in the upper and lower nappe profiles. In the study of water level over crest and discharge, in low water levels, the results of numerical modeling are good agreement with the experimental, but with the increasing water level, the difference between the numerical and experimental discharge is more. In the study of the flow coefficient, by decreasing in P/R ratio, the difference between the numerical and experimental result increases.

Keywords: circular vertical, spillway, numerical model, boundary conditions

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Authors: Juraj Beniak, Ľubomír Šooš, Peter Križan, Miloš Matúš

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Within Rapid Prototyping technologies are used many types of materials. Many of them are recyclable but there are still as plastic like, so practically they do not degrade in the landfill. Polylactic acid (PLA) is one of the special plastic materials which are biodegradable and also available for 3D printing within Fused Deposition Modelling (FDM) technology. The question is, if the mechanical properties of produced models are comparable to similar technical plastic materials which are usual for prototype production. Presented paper shows the experiments results for tensile strength measurements for specimens prepared with different 3D printer settings and model orientation. Paper contains also the comparison of tensile strength values with values measured on specimens produced by conventional technologies as injection moulding.

Keywords: 3D printing, biodegradable plastic, fused deposition modeling, PLA plastic, rapid prototyping

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Authors: Zhao Wang, Hong Yan

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In this paper, a unified-gas kinetic scheme (UGKS) for the gas-particle flow is constructed. UGKS is a direct modeling method for both continuum and rarefied flow computations. The dynamics of particle and gas are described as rarefied and continuum flow, respectively. Therefore, we use the Bhatnagar-Gross-Krook (BGK) equation for the particle distribution function. For the gas phase, the gas kinetic scheme for Navier-Stokes equation is solved. The momentum transfer between gas and particle is achieved by the acceleration term added to the BGK equation. The new scheme is tested by a 2cm-in-thickness dense bed comprised of glass particles with 1.5mm in diameter, and reasonable agreement is achieved.

Keywords: gas-particle flow, unified gas-kinetic scheme, momentum transfer, shock-induced fluidization

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Authors: Nicodemus M. J. Mbwambo, Yu-Shan Sun, Murali Sitaraman, Joan Krone

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This paper presents a generic data abstraction that captures a navigable tree position. The mathematical modeling of the abstraction encapsulates the current tree position, which can be used to navigate and modify the tree. The encapsulation of the tree position in the data abstraction specification avoids the use of explicit references and aliasing, thereby simplifying verification of (imperative) client code that uses the data abstraction. To ease the tasks of such specification and verification, a general tree theory, rich with mathematical notations and results, has been developed. The paper contains an example to illustrate automated verification ramifications. With sufficient tree theory development, automated proving seems plausible even in the absence of a special-purpose tree solver.

Keywords: automation, data abstraction, maps, specification, tree, verification

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Authors: Benjamin Orimolade, Emily Draper

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The interest in all solid electrochromic devices (ECD) is ongoing. This is because these devices offer realistic applications of electrochromic materials in products such as sensors, windows and energy storage devices. The use of quasi-solid (gel) electrolytes for the construction of these ECDs is attractive because of their ease of preparation, availability, low cost, improved electrochromic performance, good ionic conductivity and prevention of leakages in ECDs. Herein, we developed a gel electrolyte consisting of polyacrylamide modified with succinonitrile for an ECD containing leucine-modified naphthalene diimide (NDI-L) as electrochromic material. The amount of succinonitrile in the gel was optimized, and the structure, surface morphology, and ionic conductivity of the electrolytes were assessed using microscopic techniques and electrochemical methods. The ECD fabricated with the gel electrolyte displayed good electrochromic performance with a fast switching response of up to 10 s and outstanding stability. These results add significant insight into understanding the inter- and intra-molecular interaction in succinonitrile gel electrolytes and provide a typical practicable high-performance gel electrolyte material for solid electrochromic devices.

Keywords: electrochromic device, gel electrolytes, naphthalene diimide, succinonitrile

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Authors: Daniia Nigmatullina, Vlada Kugurakova, Maxim Talanov

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We present a methodology and our plans of anthropomorphic social agent visualization. That includes creation of three-dimensional model of the virtual companion's head and its facial expressions. Talking Head is a cross-disciplinary project of developing of the human-machine interface with cognitive functions. During the creation of a realistic humanoid robot or a character, there might be the ‘uncanny valley’ problem. We think about this phenomenon and its possible causes. We are going to overcome the ‘uncanny valley’ by increasing of realism. This article discusses issues that should be considered when creating highly realistic characters (particularly the head), their facial expressions and speech visualization.

Keywords: anthropomorphic social agent, facial animation, uncanny valley, visualization, 3D modeling

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Authors: Alexandre Barbosa de Almeida, Telma Woerle de Lima Soares

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Protein structure prediction is a challenging task in the bioinformatics field. The biological function of all proteins majorly relies on the shape of their three-dimensional conformational structure, but less than 1% of all known proteins in the world have their structure solved. This work proposes a deep learning model to address this problem, attempting to predict some aspects of the protein conformations. Throughout a process of multiobjective dominance, a recurrent neural network was trained to abstract the particular bias of each individual multiobjective algorithm, generating a heuristic that could be useful to predict some of the relevant aspects of the three-dimensional conformation process formation, known as protein folding.

Keywords: Ab initio heuristic modeling, multiobjective optimization, protein structure prediction, recurrent neural network

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Authors: Seungwon Han, Sung young Yoo, Tae Wan Kim

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The objective of this study was to measure the changes in the photochemical response in the leaves of red pepper (Capsium annuum L.) after foliar fertilization of amino acid and small peptides derived from the waste egg. As a nitrogen fertilizer, waste eggs were incubated over one 1week and then degraded as amino acids and small peptides. The smaller peptides less than 20 kDa were identified by matrix-assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF-MS). MALDI-TOF-MS as a rapid analysis method was to show the molecular mass of degraded egg protein. The sequences of peptides were identified as follows; γ-Glu- Cys-γ-Glu-Cys-γ-Glu-Cys)-Ser and γ-Glu-Cys-γ-Glu-Cys-γ-Glu- Cys)-Gly. It was clearly illuminated that the parameters related to quantum yields for PSI electron transport (ΦRE1O, ΨRE1O, δRE1O) and RC/ABS have increased tendency by small peptide application. On the other hand, phenomenological energy fluxes (ABSO/CSM, TRO/CSM, ET2O/CSM, RE1O/CSM, DIO/CSM) have considerably fluctuated with foliar fertilization of small peptides. In conclusion, the small peptides can enhance the photochemical activities from photosystem II to photosystem I. This study was financially supported by RDA Agenda Project PJ 016196012022.

Keywords: electron transport, foliar fertilization, small peptide, waste egg

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Authors: Ahmed A.D. Sarhan, Chong Feng Duan, Mum Wai Yip, M. Sayuti

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Rapid Prototyping (RP) technologies enable physical parts to be produced from various materials without depending on the conventional tooling. Fused Deposition Modeling (FDM) is one of the famous RP processes used at present. Tensile strength and compressive strength resistance will be identified for different sample structures and different layer orientations of ABS rapid prototype solid models. The samples will be fabricated by a FDM rapid prototyping machine in different layer orientations with variations in internal geometrical structure. The 0° orientation where layers were deposited along the length of the samples displayed superior strength and impact resistance over all the other orientations. The anisotropic properties were probably caused by weak interlayer bonding and interlayer porosity.

Keywords: building orientation, compression strength, rapid prototyping, tensile strength

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Authors: Ellie Fini, Mahour Parast, Daniel Oldham, Shahrzad Hosseinnezhad

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This paper investigates the relationship between molecular species of four different bio-based adhesives (made from Swine Manure, Miscanthus Pellet, Corn Stover, and Wood Pellet) and their rheological behavior before and after they undergo extensive oxidative aging. To study the effect of oxidative aging on the chemical structure of bio-adhesives, Infrared Attenuated Total Reflectance Spectroscopy (Fourier transform infrared) was utilised. In addition, a Drop Shape Analyser, Rotational Viscometer, and Dynamic Shear Rheometer were used to evaluate the surface properties and rheological behaviour of each bio-adhesive. Overall, bio-adhesives were found to be significantly different in terms of their ageing characteristics. Accordingly, their surface and rheological properties were found to be ranked differently before and after ageing. The results showed that the bio-adhesive from swine manure is less susceptible to aging compared to plant-based bio-oils. This can be further attributed to the chemical structure and the high lipid contents of the bio-adhesive from swine manure, making it less affected by oxidative ageing.

Keywords: bio-adhesive, rheology, bio-mass, material genome

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Authors: Dong Wook Lee, Adrian Mistreanu

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The authors have studied a method for analyzing containment and penetration using an explicit nonlinear Finite Element Analysis. This method may be used in the stage of concept design for the protection of external configurations or components of aircraft engines and nuclear power plant structures. This paper consists of the modeling method, the results obtained from the method and the comparison of the results with those calculated from simple analytical method. It shows that the containment capability obtained by proposed method matches well with analytically calculated containment capability.

Keywords: computer aided engineering, containment analysis, finite element analysis, impact analysis, penetration analysis

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Authors: Jifang Tao, Fei Gao, Hong Cai, Yuan Jin Zheng, Yuan Dong Gu

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Photoacoustic technology is used to measure effect absorption of a light by means of acoustic detection, which provides a high sensitive, low-cross response, cost-effective solution for gas molecular detection. In this paper, we proposed an integrated photoacoustic sensor for Indoor-air quality (IAQ) monitoring. The sensor consists of an acoustically resonant cavity, a high silicon acoustic transducer chip, and a low-cost light source. The light is modulated at the resonant frequency of the cavity to create an enhanced periodic heating and result in an amplified acoustic pressure wave. The pressure is readout by a novel acoustic transducer with low noise. Based on this photoacoustic sensor, typical indoor gases, including CO2, CO, O2, and H2O have been successfully detected, and their concentration are also evaluated with very high accuracy. It has wide potential applications in IAQ monitoring for agriculture, food industry, and ventilation control systems used in public places, such as schools, hospitals and airports.

Keywords: indoor-air quality (IAQ) monitoring, photoacoustic gas sensor, cavity enhancement, integrated gas sensor

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Authors: J. Ticona Chambi, E. A. De Almeida, C. A. Andrade Raymundo Gaiotto, A. M. Do Espírito Santo, L. Infantes, S. L. Cuffini

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The solubility of active pharmaceutical ingredients (APIs) is challenging for the pharmaceutical industry. The new multicomponent crystalline forms as cocrystal and solvates present an opportunity to improve the solubility of APIs. Commonly, the procedure to obtain multicomponent crystalline forms of a drug starts by screening the drug molecule with the different coformers/solvents. However, it is necessary to develop methods to obtain multicomponent forms in an efficient way and with the least possible environmental impact. The Hansen Solubility Parameters (HSPs) is considered a tool to obtain theoretical knowledge of the solubility of the target compound in the chosen solvent. H-Bond Propensity (HBP), Molecular Complementarity (MC), Coordination Values (CV) are tools used for statistical prediction of cocrystals developed by the Cambridge Crystallographic Data Center (CCDC). The HSPs and the CCDC tools are based on inter- and intra-molecular interactions. The curcumin (Cur), target molecule, is commonly used as an anti‐inflammatory. The demethoxycurcumin (Demcur) and bisdemethoxycurcumin (Bisdcur) are natural analogues of Cur from turmeric. Those target molecules have differences in their solubilities. In this way, the work aimed to analyze and compare different tools for multicomponent forms prediction (solvates) of Cur, Demcur and Biscur. The HSP values were calculated for Cur, Demcur, and Biscur using the chemical group contribution methods and the statistical optimization from experimental data. The HSPmol software was used. From the HSPs of the target molecules and fifty solvents (listed in the HSP books), the relative energy difference (RED) was determined. The probability of the target molecules would be interacting with the solvent molecule was determined using the CCDC tools. A dataset of fifty molecules of different organic solvents was ranked for each prediction method and by a consensus ranking of different combinations: HSP, CV, HBP and MC values. Based on the prediction, 15 solvents were selected as Dimethyl Sulfoxide (DMSO), Tetrahydrofuran (THF), Acetonitrile (ACN), 1,4-Dioxane (DOX) and others. In a starting analysis, the slow evaporation technique from 50°C at room temperature and 4°C was used to obtain solvates. The single crystals were collected by using a Bruker D8 Venture diffractometer, detector Photon100. The data processing and crystal structure determination were performed using APEX3 and Olex2-1.5 software. According to the results, the HSPs (theoretical and optimized) and the Hansen solubility sphere for Cur, Demcur and Biscur were obtained. With respect to prediction analyses, a way to evaluate the predicting method was through the ranking and the consensus ranking position of solvates already reported in the literature. It was observed that the combination of HSP-CV obtained the best results when compared to the other methods. Furthermore, as a result of solvent selected, six new solvates, Cur-DOX, Cur-DMSO, Bicur-DOX, Bircur-THF, Demcur-DOX, Demcur-ACN and a new Biscur hydrate, were obtained. Crystal structures were determined for Cur-DOX, Biscur-DOX, Demcur-DOX and Bicur-Water. Moreover, the unit-cell parameter information for Cur-DMSO, Biscur-THF and Demcur-ACN were obtained. The preliminary results showed that the prediction method is showing a promising strategy to evaluate the possibility of forming multicomponent. It is currently working on obtaining multicomponent single crystals.

Keywords: curcumin, HSPs, prediction, solvates, solubility

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Authors: Dora Triki, Irena Vida, Claude Obadia

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Social networks such as e-Forums or dating sites often face the reluctance of key members to participate. Relying on the conation theory, this study investigates this phenomenon and proposes solutions to mitigate the issue. We show that highly experienced e-Forum members refuse to share business information in a peer to peer information exchange forums. However, forums managers can mitigate this behavior by developing a sentiment of belongingness to the network. Furthermore, by selecting only elite forum participants with ample experience, they can reduce the reluctance of key information providers to engage in information exchange. Our hypotheses are tested with PLS structural equations modeling using survey data from members of a French e-Forum dedicated to the exchange of business information about exporting.

Keywords: conation, e-Forum, information exchange, members participation

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Authors: Jamal S. M. Sabir, Edward C. Theriot, Schonna R. Manning, Abdulrahman L. Al-Malki, Mohammad, Mumdooh J. Sabir, Dwight K. Romanovicz, Nahid H. Hajrah, Robert K. Jansen, Matt P. Ashworth

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The diatom Phaeodactylum tricornutum has been used as a model for cell biologists and ecologists for over a century. We have incorporated several new raphid pennates into a three-gene phylogenetic dataset (SSU, rbcL, psbC), and recover Gomphonemopsis sp. as sister to P. tricornutum with 100% BS support. This is the first time a close relative has been identified for P. tricornutum with robust statistical support. We test and reject a succession of hypotheses for other relatives. Our molecular data are statistically significantly incongruent with placement of either or both species among the Cymbellales, an order of diatoms with which both have been associated. We believe that further resolution of the phylogenetic position of P. tricornutum will rely more on increased taxon sampling than increased genetic sampling. Gomphonemopsis is a benthic diatom, and its phylogenetic relationship with P. tricornutum is congruent with the hypothesis that P. tricornutum is a benthic diatom with specific adaptations that lead to active recruitment into the plankton. We hypothesize that other benthic diatoms are likely to have similar adaptations and are not merely passively recruited into the plankton.

Keywords: benthic, diatoms; ecology, Phaeodactylum tricornutum, phylogeny, tychoplankton

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Authors: Muhammad Naweed, Usman Tariq Murtaza, Waseem Siddique

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A pallet body approach is a finite element-based computational approach used for the modeling and assessment of a three-dimensional surface crack. The approach is capable of inserting the crack in an engineering structure and generating high-quality hexahedral mesh in the cracked region of the structure. The approach is capable of computing the stress intensity factors along a semi-elliptical surface crack numerically. The objective of this work is to present that the stress intensity factors produced by the approach can be used with confidence for capturing the parameters during the fatigue crack growth.

Keywords: pallet body approach, semi-elliptical surface crack, stress intensity factors, fatigue crack growth

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Authors: Fadi Al Khatib, Raouf Mbarki, Malek Adouni

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In various sport and recreational activities, the patellofemoral joint undergoes large forces and moments while accommodating the significant knee joint movement. In doing so, this joint is commonly the source of anterior knee pain related to instability in normal patellar tracking and excessive pressure syndrome. One well-observed explanation of the instability of the normal patellar tracking is the patellofemoral ligaments and patellar tendon damage. Improved knowledge of the damage mechanism mediating ligaments and tendon injuries can be a great help not only in rehabilitation and prevention procedures but also in the design of better reconstruction systems in the management of knee joint disorders. This damage mechanism, specifically due to excessive mechanical loading, has been linked to the micro level of the fibred structure precisely to the tropocollagen molecules and their connection density. We argue defining a clear frame starting from the bottom (micro level) to up (macro level) in the hierarchies of the soft tissue may elucidate the essential underpinning on the state of the ligaments damage. To do so, in this study a multiscale fibril reinforced hyper elastoplastic Finite Element model that accounts for the synergy between molecular and continuum syntheses was developed to determine the short-term stresses/strains patellofemoral ligaments and tendon response. The plasticity of the proposed model is associated only with the uniaxial deformation of the collagen fibril. The yield strength of the fibril is a function of the cross-link density between tropocollagen molecules, defined here by a density function. This function obtained through a Coarse-graining procedure linking nanoscale collagen features and the tissue level materials properties using molecular dynamics simulations. The hierarchies of the soft tissues were implemented using the rule of mixtures. Thereafter, the model was calibrated using a statistical calibration procedure. The model then implemented into a real structure of patellofemoral ligaments and patellar tendon (OpenKnee) and simulated under realistic loading conditions. With the calibrated material parameters the calculated axial stress lies well with the experimental measurement with a coefficient of determination (R2) equal to 0.91 and 0.92 for the patellofemoral ligaments and the patellar tendon respectively. The ‘best’ prediction of the yielding strength and strain as compared with the reported experimental data yielded when the cross-link density between the tropocollagen molecule of the fibril equal to 5.5 ± 0.5 (patellofemoral ligaments) and 12 (patellar tendon). Damage initiation of the patellofemoral ligaments was located at the femoral insertions while the damage of the patellar tendon happened in the middle of the structure. These predicted finding showed a meaningful correlation between the cross-link density of the tropocollagen molecules and the stiffness of the connective tissues of the extensor mechanism. Also, damage initiation and propagation were documented with this model, which were in satisfactory agreement with earlier observation. To the best of our knowledge, this is the first attempt to model ligaments from the bottom up, predicted depending to the tropocollagen cross-link density. This approach appears more meaningful towards a realistic simulation of a damaging process or repair attempt compared with certain published studies.

Keywords: tropocollagen, multiscale model, fibrils, knee ligaments

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Authors: Balarabe Nkom, Adam P. R. Taylor, Craig Baguley

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Power Line Communications (PLC) is being employed in existing power systems, despite the infrastructure not being designed with PLC considerations in mind. Given that power transformers can last for decades, the distribution transformer in particular exists as a relic of un-optimized technology. To determine issues that may need to be addressed in subsequent designs of such transformers, it is essential to have a highly accurate transformer model for simulations and subsequent optimization for the PLC environment, with a view to increase data speed, throughput, and efficiency, while improving overall system stability and reliability. This paper reviews various methods currently available for creating transformer models and provides insights into the requirements of each for obtaining high accuracy. The review indicates that a combination of traditional analytical methods using a hybrid approach gives good accuracy at reasonable costs.

Keywords: distribution transformer, modelling, optimization, power line communications

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Authors: Doni Dermawan

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Hypertension is a disease with a high prevalence in Indonesia. The prevalence of hypertension in Indonesia is based on the Basic Health Research (Riskesdas) in 2013 which amounted to 25.8%. Medicinal plants have been widely used to treat hypertension including roselle (Hibiscus sabdariffa L.) and garlic (Allium sativum L.) by a mechanism as angiotensin converting enzyme (ACE) inhibitor. The purpose of this research is to analyze the in silico (molecular studies) of pharmacological effects and toxicity of roselle (Hibiscus sabdariffa L.) and garlic (Allium sativum L.) as well as a combination of both are used as antihypertensive herbs. The results of study showed that roselle (Hibiscus sabdariffa L.) and garlic (Allium sativum L.) have great potential as antihypertensive herbs based on the affinity and stability of active substances to specific receptor with a much better value than a of antihypertensive drugs (lisinopril). Toxicity values determined by the method of AST, ALT and ALP in which the three values obtained indicate the presence of acute toxic effects that need to be considered in determining the dose of the extract of roselle and garlic as antihypertensives.

Keywords: Allium sativum, antihypertensive, Hibiscus sabdariffa, in silico, toxicity

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Authors: Mohd Asrul Affendi Bi Abdullah, Nyi Nyi Naing

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The purpose of this study was to identify comparable manner between negative binomial death rate (NBDR) and zero inflated negative binomial death rate (ZINBDR) with died patients with (HIV + T B+) and (HIV + T B−). HIV and TB is a serious world wide problem in the developing country. Data were analyzed with applying NBDR and ZINBDR to make comparison which a favorable model is better to used. The ZINBDR model is able to account for the disproportionately large number of zero within the data and is shown to be a consistently better fit than the NBDR model. Hence, as a results ZINBDR model is a superior fit to the data than the NBDR model and provides additional information regarding the died mechanisms HIV+TB. The ZINBDR model is shown to be a use tool for analysis death rate according age categorical.

Keywords: zero inflated negative binomial death rate, HIV and TB, AIC and BIC, death rate

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Authors: S. Houcine Habib, B. Elkhalil Hachi, Mohamed Guesmi, Mohamed Haboussi

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In this paper, dynamic fracture behaviors of cracked orthotropic structure are modeled using extended finite element method (X-FEM). In this approach, the finite element method model is first created and then enriched by special orthotropic crack tip enrichments and Heaviside functions in the framework of partition of unity. The mixed mode stress intensity factor (SIF) is computed using the interaction integral technique based on J-integral in order to predict cracking behavior of the structure. The developments of these procedures are programmed and introduced in a self-software platform code. To assess the accuracy of the developed code, results obtained by the proposed method are compared with those of literature.

Keywords: X-FEM, composites, stress intensity factor, crack, dynamic orthotropic behavior

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Authors: Nouf A. Aldarmahi, Nesrin I. Tarbiah, Nuha A. Alkhattabi, Huda F. Alshaibi

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Nigella sativa which is known as dark cumin is a well-known example for a widely applicable herbal medicine. Nigella sativa can be effective in a variety of diseases such as hypertension, diabetes, bronchitis, gastrointestinal upset, and cancer. The anticancer effect of Nigella sativa appeared to be mediated by immune-modulatory effect through stimulating human natural killer (NK) cells. This is a type of lymphocytes which is part of the innate immunity, also known as the first line of defense in the body against pathogens. This study investigated the effect of thymoquinone as a major component of Nigella sativa on the molecular cytotoxic pathway of NK cell and the role of thymoquinone therapeutic effect on NK cells. NK cells were cultured with breast tumor cells in different ways and cultured media was collected and the concentration of perforin, granzyme B and interferon-α were measured by ELISA. The cytotoxic effect of NK cells on breast tumor cells was enhanced in the presence of thymoquinone, with increased activity of perforin in NK cells. This improved anticancer effect of thymoquinone on breast cancer cells.

Keywords: breast cancer, cancer cells, natural killer cells, thymoquinone

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Authors: Roli Saini, Pradeep Kumar

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A coagulation/flocculation process was adopted for the reduction of carbamate insecticide (carbofuran) from aqueous solution. Ferric chloride (FeCl₃) was used as a coagulant to treat the carbofuran. To exploit the reduction efficiency of pesticide concentration and COD, the jar-test experiments were carried out and process was optimized through response surface methodology (RSM). The effects of two independent factors; i.e., FeCl₃ dosage and pH on the reduction efficiency were estimated by using central composite design (CCD). The initial COD of the 30 mg/L concentrated solution was found to be 510 mg/L. Results exposed that the maximum reduction occurred at an optimal condition of FeCl₃ = 80 mg/L, and pH = 5.0, from which the reduction of concentration and COD 75.13% and 65.34%, respectively. The present study also predicted that the obtained regression equations could be helpful as the theoretical basis for the coagulation process of pesticide wastewater.

Keywords: carbofuran, coagulation, optimization, response surface methodology

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Authors: Narumon Phaonakrop, Janthima Jaresitthikunchai, Sittiruk Roytrakul, Wasinee Pongprayoon

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Chitosan has been proposed as a natural polymer, and it is derived from chitin. The objective of this research was to determine the growth promoting responses induced by chitosan at the molecular physiology level in Khao Dawk Mali 105 (KDML 105) rice (Oryza sativa L.) seedlings under drought stress by adding of 2% polyethylene glycol 4000 (PEG4000) to the nutrient solution and after removal of the drought stress (re-water). Oligomeric chitosan at 40 ppm could enhance shoot fresh weight and shoot dry weight during drought stress and re-water. After 7 days of drought stress and re-water, significant increases in chlorophyll a and chlorophyll b contents in KDML 105 cultivar were observed. The 749 phosphoproteins in rice leaf treated with chitosan could be resolved by phosphoprotein enrichment, tryptic digestion and liquid chromatography-tandem mass spectrometry (LC-MS/MS) analysis. They can be classified into 10 groups. Proteins involved in the metabolic process and biological regulation were upregulated in response to chitosan during drought stress. This work will help us to understand protein phosphorylation relating to chitosan response during drought stress in aromatic rice seedlings.

Keywords: Chitosan, drought, phosphoproteome, rice

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Authors: K. Djellabi, M. E. H. Latreche

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Induction heating computer simulation is a powerful tool for process design and optimization, induction coil design, equipment selection, as well as education and business presentations. The authors share their vast experience in the practical use of computer simulation for different induction heating and heat treating processes. In this paper deals with mathematical modeling and numerical simulation of induction heating furnaces with axisymmetric geometries. For the numerical solution, we propose finite element methods combined with boundary (FEM) for the electromagnetic model using COMSOL® Multiphysics Software. Some numerical results for an industrial furnace are shown with high frequency.

Keywords: numerical methods, induction furnaces, induction heating, finite element method, Comsol multiphysics software

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Authors: Pedram Khazaie, Sajjad Moein

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In the conventional hot forging of Tongue, which is a fitting for polymer insulator, the material wasted to flash accounts for 20-30% of workpiece. In order to reduce the cost of forged products, this waste material must be minimized. In this study, a flashless forging die is designed and simulated using the finite element method (FEM). A solution to avoid overloading the die with a simple preform is also presented. Moreover, since in flashless forging, burr is formed on the edge of workpiece, a controlled flash forging method is proposed to solve this problem. The simulation results have been validated by experiments; achieving close agreement between simulated and experimental data. It was shown that numerical modeling is helpful in reducing cost and time in the manufacturing process.

Keywords: burr formation, die design, finite element method, flashless forging

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Authors: Kunal Tongaria, Abhishek Mangal, S. Mandal, Devendra Mohan

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The carbonation of concrete is a phenomenon which is a function of various interdependent parameters. Therefore, in spite of numerous literature and database, the useful generalization is not an easy task. These interdependent parameters can be grouped under the category of internal and external factors. This paper focuses on the internal parameters which govern and increase the probability of the ingress of deleterious substances into concrete. The mechanism of effects of internal parameters such as microstructure for with and without supplementary cementing materials (SCM), water/binder ratio, the age of concrete etc. has been discussed. This is followed by the comparison of various proposed mathematical models for the deterioration of concrete. Based on existing laboratory experiments as well as field results, this paper concludes the present understanding of mechanism, modeling and future research needs in this field.

Keywords: carbonation, diffusion coefficient, microstructure of concrete, reinforced concrete

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Authors: David D. Adams, Ibrahim B. Bello

Abstract:

Spent oil contaminated Soil from ten selected mechanic workshops were investigated for their bacteria and bioremediation potentials. The bacterial isolates were morphologically and molecularly identified as Enterobacter hormaechei, Escherichia coli, Klebsiella pneumoniae, Shigella flexneri , Wesiella cibaria, Lactobacillus planetarium. The singles and a consortium of these bacteria incubated in the minimal salt medium incorporated with 1% engine oil exhibited various biodegradation rates, with the mixed consortium exhibiting the highest for this oil. The gene for the hydrocarbon enzyme Catechol 2, 3 dioxygenase (C2,30) was detected and amplified in Enterobacter hormaechei, Escherichia coli and Shigella flexneri using PCR and Agarose gel electrophoresis. The detection of the (C2,30) enzyme gene in, and the spent oil biodegradation activity exhibited by these bacteria suggest their possible possession of bioremediating potentials for the spent engine oil. It is therefore suggested that a pilot study on the field application of these bacteria for bioremediation and restoration of spent oil polluted environment should be done in mechanic workshops.

Keywords: spent engine oil, pollution, bacteria, enzyme, bioremediation, mechanic workshop

Procedia PDF Downloads 222

Authors: Wang Mimi, Jiang Changjun, Liu Guanjun, Fang Xianwen

Abstract:

Loop structure often appears in the business process modeling, analyzing the consistency of corresponding workflow net models containing loop structure is a problem, the existing behavior consistency methods cannot analyze effectively the process models with the loop structure. In the paper, by analyzing five kinds of behavior relations of transitions, a three-dimensional figure and two-dimensional behavior relation matrix are proposed. Based on this, analysis method of behavior consistency of business process based on Petri net branching processes is proposed. Finally, an example is given out, which shows the method is effective.

Keywords: workflow net, behavior consistency measures, loop, branching process

Procedia PDF Downloads 388