Search results for: magnetic modelling
1095 Modelling Ibuprofen with Human Albumin
Authors: U. L. Fulco, E. L. Albuquerque, José X. Lima Neto, L. R. Da Silva
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The binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites are FA3/FA4 and FA6, respectively. The interaction energy between the IBU molecule and each amino acid residue of these HSA binding pockets was calculated using the Molecular Fractionation with Conjugate Caps (MFCC) approach employing a dispersion corrected exchange–correlation functional. Our investigation shows that the total interaction energy of IBU bound to HSA at binding sites of the fatty acids FA3/FA4 (FA6) converges only for a pocket radius of at least 8.5 °A, mainly due to the action of residues Arg410, Lys414 and Ser489 (Lys351, Ser480 and Leu481) and residues in nonhydrophobic domains, namely Ile388, Phe395, Phe403, Leu407, Leu430, Val433, and Leu453 (Phe206, Ala210, Ala213, and Leu327), which is unusual. Our simulations are valuable for a better understanding of the binding mechanism of IBU to albumin and can lead to the rational design and the development of novel IBU-derived drugs with improved potency.Keywords: ibuprofen, human serum albumin, density functional theory, binding energies
Procedia PDF Downloads 3471094 Nonlinear Triad Interactions in Magnetohydrodynamic Plasma Turbulence
Authors: Yasser Rammah, Wolf-Christian Mueller
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Nonlinear triad interactions in incompressible three-dimensional magnetohydrodynamic (3D-MHD) turbulence are studied by analyzing data from high-resolution direct numerical simulations of decaying isotropic (5123 grid points) and forced anisotropic (10242 x256 grid points) turbulence. An accurate numerical approach toward analyzing nonlinear turbulent energy transfer function and triad interactions is presented. It involves the direct numerical examination of every wavenumber triad that is associated with the nonlinear terms in the differential equations of MHD in the inertial range of turbulence. The technique allows us to compute the spectral energy transfer and energy fluxes, as well as the spectral locality property of energy transfer function. To this end, the geometrical shape of each underlying wavenumber triad that contributes to the statistical transfer density function is examined to infer the locality of the energy transfer. Results show that the total energy transfer is local via nonlocal triad interactions in decaying macroscopically isotropic MHD turbulence. In anisotropic MHD, turbulence subject to a strong mean magnetic field the nonlinear transfer is generally weaker and exhibits a moderate increase of nonlocality in both perpendicular and parallel directions compared to the isotropic case. These results support the recent mathematical findings, which also claim the locality of nonlinear energy transfer in MHD turbulence.Keywords: magnetohydrodynamic (MHD) turbulence, transfer density function, locality function, direct numerical simulation (DNS)
Procedia PDF Downloads 3851093 Implementation of Building Information Modeling in Turkish Government Sector Projects
Authors: Mohammad Lemar Zalmai, Mustafa Nabi Kocakaya, Cemil Akcay, Ekrem Manisali
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In recent years, the Building Information Modeling (BIM) approach has been developed expeditiously. As people see the benefits of this approach, it has begun to be used widely in construction projects and some countries made it mandatory to get more benefits from it. To promote the implementation of BIM in construction projects, it will be helpful to get some relevant information from surveys and interviews. The purpose of this study is to research the current adoption and implementation of BIM in public projects in Turkey. This study specified the challenges of BIM implementation in Turkey and proposed some solutions to overcome them. In this context, the challenges for BIM implementation and the factors that affect the BIM usage are determined based on previous academic researches and expert opinions by conducting interviews and questionnaire surveys. Several methods are used to process information in order to obtain weights of different factors to make BIM widespread in Turkey. This study concluded interviews' and questionnaire surveys' outcomes and proposed some suggestions to promote the implementation of BIM in Turkey. We believe research findings will be a good reference for boosting BIM implementation in Turkey.Keywords: building information modelling, BIM implementations, Turkish construction industry, Turkish government sector projects
Procedia PDF Downloads 1381092 Modelling Kinetics of Colour Degradation in American Pokeweed (Phytolacca americana) Extract Concentration
Authors: Seyed-Ahmad Shahidi, Salemeh Kazemzadeh, Mehdi Sharifi Soltani, Azade Ghorbani-HasanSaraei
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The kinetics of colour changes of American Pokeweed extract, due to concentration by various heating methods was studied. Three different heating/evaporation processes were employed for production of American Pokeweed extract concentrate. The American Pokeweed extract was concentrated to a final 40 °Brix from an initial °Brix of 4 by microwave heating, rotary vacuum evaporator and evaporating at atmospheric pressure. The final American Pokeweed extract concentration of 40 °Brix was achieved in 188, 216 and 320 min by using microwave, rotary vacuum and atmospheric heating processes, respectively. The colour change during concentration processes was investigated. Total colour differences, Hunter L, a and b parameters were used to estimate the extent of colour loss. All Hunter colour parameters decreased with time. The zero-order, first-order and a combined kinetics model were applied to the changes in colour parameters. All models were found to describe the L, a and b-data adequately. Results indicated that variation in TCD followed both first-order and combined kinetics models. This model implied that the colour formation and pigment destruction occurred during concentration processes of American Pokeweed extract.Keywords: American pokeweed, colour, concentration, kinetics
Procedia PDF Downloads 4981091 Synthesis, Inhibitory Activity, and Molecular Modelling of 2-Hydroxy-3-Oxo-3-Phenylpropionate Derivatives as HIV-1-Integrase Inhibitors
Authors: O. J. Jesumoroti, Faridoon, R. Klein, K. A. Iobb, D. Mnkadhla, H. C. Hoppe, P. T. Kaye
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The 1, 3-aryl diketo acids (DKA) based agents represent an important class of HIV integrase (IN) strand transfer inhibitors. In other to study the chelating role of the divalent metal ion in the inhibition of IN strand transfer, we designed and synthesized a series of 2-hydroxy-3-oxo-3-phenyl propionate derivatives with the notion that such compounds could interact with the divalent ion in the active site of IN. The synthetic sequence to the desired compounds involves the concept of Doebner knoevenagel condensation, Fischer esterification and ketohydroxylation using neuclophilic re-oxidant; compounds were characterized by their IR, IHNMR, 13CNMR, HRMS spectroscopic data and melting point determination. Also, molecular docking was employed in this study and it was revealed that there is interaction with the active site of the enzyme. However, there is disparity in the corresponding anti-HIV activity determined by the experimental bioassay. These compounds lack potency at low micromolar concentration when compared to the results of the docking studies. Nevertheless, the results of the study suggest modification of the aryl ring with one or two hydroxyl groups to improve the inhibitory activity.Keywords: anti-HIV-1 integrase, ketohydroxylation, molecular docking, propionate derivatives
Procedia PDF Downloads 1941090 Preparation and Antioxidant Activity of Heterocyclic Indole Derivatives
Authors: Tunca Gul Altuntas, Aziz Baydar, Cemre Acar, Sezen Yılmaz, Tulay Coban
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Free radicals, which are generated in many bioorganic redox processes, play a role in the pathogenesis of several diseases including cancer, arthritis, hemorrhagic shock, inflammatory, cardiovascular, neurodegenerative diseases and age-related degenerative brain diseases. Exposures of normal cell to free radical damages several structures, oxidizes nucleic acids, proteins, lipids, or DNA. Compounds interfere with the action of reactive oxygen species might be useful in prevention and treatment of these pathologies. A series of indole compounds containing piperazine ring were synthesized. Coupling of indole-2-carboxylic acid with monosubstituted piperazines was accomplished with 1,1’-carbonyldiimidazole (CDI) in a good yield. The structures of prepared compounds were verified in good agreement with their 1H NMR (nuclear magnetic resonance), MS (mass spectrophotometry), and IR (infrared spectrophotometry) characteristics. In this work, all synthetized indole derivatives were screened in vitro for their antioxidative potential against vitamin E (α-tocopherol) using different antioxidant assays such as superoxide anion formation, lipid peroxidation levels in rat liver, and 2,2-diphenyl-1-picrylhydrazyl (DPPH) stable radical scavenging activity. The synthesized compounds showed various levels of inhibition compared to vitamin E. This may give promising results for the development of new antioxidant agents.Keywords: antioxidant, indoles, piperazines, reactive oxygen species
Procedia PDF Downloads 2311089 Cerebrovascular Modeling: A Vessel Network Approach for Fluid Distribution
Authors: Karla E. Sanchez-Cazares, Kim H. Parker, Jennifer H. Tweedy
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The purpose of this work is to develop a simple compartmental model of cerebral fluid balance including blood and cerebrospinal-fluid (CSF). At the first level the cerebral arteries and veins are modelled as bifurcating trees with constant scaling factors between generations which are connected through a homogeneous microcirculation. The arteries and veins are assumed to be non-rigid and the cross-sectional area, resistance and mean pressure in each generation are determined as a function of blood volume flow rate. From the mean pressure and further assumptions about the variation of wall permeability, the transmural fluid flux can be calculated. The results suggest the next level of modelling where the cerebral vasculature is divided into three compartments; the large arteries, the small arteries, the capillaries and the veins with effective compliances and permeabilities derived from the detailed vascular model. These vascular compartments are then linked to other compartments describing the different CSF spaces, the cerebral ventricles and the subarachnoid space. This compartmental model is used to calculate the distribution of fluid in the cranium. Known volumes and flows for normal conditions are used to determine reasonable parameters for the model, which can then be used to help understand pathological behaviour and suggest clinical interventions.Keywords: cerebrovascular, compartmental model, CSF model, vascular network
Procedia PDF Downloads 2751088 The Impact of Nurse-Physician Interprofessional Relationship on Nurses' Willingness to Engage in Leadership Roles: A Multilevel Modelling Approach
Authors: Sulaiman D. Al Sabei, Amy M. Ross, Christopher S. Lee
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Nurse leaders play a fundamental role in transforming healthcare system and improving quality of patient care. Several healthcare organizations have called to increase the number of nurse leaders across all levels and in every practice setting. Identification of factors influencing nurses’ willingness to lead can inform healthcare leaders and policy makers of potentially illuminating strategies for establishing favorable work environments that motivate nurses to engage in leadership roles. The aim of this study was to investigate determinants of nurses’ willingness to engage in future leadership roles. The study was conducted at a public hospital in the Sultanate of Oman. A total of 171 registered nurses participated. A multilevel modeling was conducted. Findings revealed that 80% of nurses were likely to seek out opportunities to engage in leadership roles. The quality of the nurse-physician collegial relationships was a significant predictor of nurses’ willingness to lead. Establishing a work environment’s culture of positive nurse-physician relationships is critical to enhance nurses’ work attitude and engage them in leadership roles.Keywords: interprofessional relationship, leadership, motivation, nurses
Procedia PDF Downloads 1921087 Whole Body Cooling Hypothermia Treatment Modelling Using a Finite Element Thermoregulation Model
Authors: Ana Beatriz C. G. Silva, Luiz Carlos Wrobel, Fernando Luiz B. Ribeiro
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This paper presents a thermoregulation model using the finite element method to perform numerical analyses of brain cooling procedures as a contribution to the investigation on the use of therapeutic hypothermia after ischemia in adults. The use of computational methods can aid clinicians to observe body temperature using different cooling methods without the need of invasive techniques, and can thus be a valuable tool to assist clinical trials simulating different cooling options that can be used for treatment. In this work, we developed a FEM package applied to the solution of the continuum bioheat Pennes equation. Blood temperature changes were considered using a blood pool approach and a lumped analysis for intravascular catheter method of blood cooling. Some analyses are performed using a three-dimensional mesh based on a complex geometry obtained from computed tomography medical images, considering a cooling blanket and a intravascular catheter. A comparison is made between the results obtained and the effects of each case in brain temperature reduction in a required time, maintenance of body temperature at moderate hypothermia levels and gradual rewarming.Keywords: brain cooling, finite element method, hypothermia treatment, thermoregulation
Procedia PDF Downloads 3111086 Study Case of Spacecraft Instruments in Structural Modelling with Nastran-Patran
Authors: Francisco Borja de Lara, Ali Ravanbakhsh, Robert F. Wimmer-Schweingruber, Lars Seimetz, Fermín Navarro
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The intense structural loads during the launch of a spacecraft represent a challenge for the space structure designers because enough resistance has to be achieved while maintaining at the same time the mass and volume within the allowable margins of the mission requirements and inside the limits of the budget project. In this conference, we present the structural analysis of the Lunar Lander Neutron Dosimetry (LND) experiment on the Chang'E4 mission, the first probe to land on the moon’s far side included in the Chinese’ Moon Exploration Program by the Chinese National Space Administration. To this target, the software Nastran/Patran has been used: a structural model in Patran and a structural analysis through Nastran have been realized. Next, the results obtained are used both for the optimization process of the spacecraft structure, and as input parameters for the model structural test campaign. In this way, the feasibility of the lunar instrument structure is demonstrated in terms of the modal modes, stresses, and random vibration and a better understanding of the structural tests design is provided by our results.Keywords: Chang’E4, Chinese national space administration, lunar lander neutron dosimetry, nastran-patran, structural analysis
Procedia PDF Downloads 5291085 Species Distribution Model for Zanthoxylum Rhetsa Genus in Thailand
Authors: Yosiya Chanta, Jantrararuk Tovaranont
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Species distribution model (SDMs) is one of the powerful tools used to create a suitability map used to predict and address ecology and conservation approaches. MaxEnt is a tool used among SDMs that is highly popular because it only uses presence data. Zanthoxylum rhetsa has more than 200 species distributed in the tropics. Most commonly found in cooler forest environments, there are 8-9 species found in Thailand. In northern Thailand, 3 varieties are commonly grown: Zanthoxylum myriacanthum, Zanthoxylum rhetsa and Zanthoxylum armatum. In the northern regions, these varieties are mainly used as a spice and as a cooking ingredient. MaxEnt has been used in this study to predict potential habitats for these Zanthoxylums in current and future times (2041and 2060). Suitable habitats are predicted using data from the EC-Earth3-Veg general circulation model with 19 climatic variables. The results indicate that the suitability of future habitats of Zanthoxylum rhetsa may expand into the lower northern part of Thailand. The habitat suitability map obtained from the MaxEnt tool shows that the Precipitation of Wettest Quarter (Bio16) is the most important climatic variable influencing the current and future spread of Zanthoxylum rhetsa.Keywords: MaxEnt, Zanthoxylum rhets, species distribution modelling, climate change
Procedia PDF Downloads 981084 A Dynamical Approach for Relating Energy Consumption to Hybrid Inventory Level in the Supply Chain
Authors: Benga Ebouele, Thomas Tengen
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Due to long lead time, work in process (WIP) inventory can manifest within the supply chain of most manufacturing system. It implies that there are lesser finished good on hand and more in the process because the work remains in the factory too long and cannot be sold to either customers The supply chain of most manufacturing system is then considered as inefficient as it take so much time to produce the finished good. Time consumed in each operation of the supply chain has an associated energy costs. Such phenomena can be harmful for a hybrid inventory system because a lot of space to store these semi-finished goods may be needed and one is not sure about the final energy cost of producing, holding and delivering the good to customers. The principle that reduces waste of energy within the supply chain of most manufacturing firms should therefore be available to all inventory managers in pursuit of profitability. Decision making by inventory managers in this condition is a modeling process, whereby a dynamical approach is used to depict, examine, specify and even operationalize the relationship between energy consumption and hybrid inventory level. The relationship between energy consumption and inventory level is established, which indicates a poor level of control and hence a potential for energy savings.Keywords: dynamic modelling, energy used, hybrid inventory, supply chain
Procedia PDF Downloads 2681083 Mathematical Modelling of Human Cardiovascular-Respiratory System Response to Exercise in Rwanda
Authors: Jean Marie Ntaganda, Froduald Minani, Wellars Banzi, Lydie Mpinganzima, Japhet Niyobuhungiro, Jean Bosco Gahutu, Vincent Dusabejambo, Immaculate Kambutse
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In this paper, we present a nonlinear dynamic model for the interactive mechanism of the cardiovascular and respiratory system. The model is designed and analyzed for human during physical exercises. In order to verify the adequacy of the designed model, data collected in Rwanda are used for validation. We have simulated the impact of heart rate and alveolar ventilation as controls of cardiovascular and respiratory system respectively to steady state response of the main cardiovascular hemodynamic quantities i.e., systemic arterial and venous blood pressures, arterial oxygen partial pressure and arterial carbon dioxide partial pressure, to the stabilised values of controls. We used data collected in Rwanda for both male and female during physical activities. We obtained a good agreement with physiological data in the literature. The model may represent an important tool to improve the understanding of exercise physiology.Keywords: exercise, cardiovascular/respiratory, hemodynamic quantities, numerical simulation, physical activity, sportsmen in Rwanda, system
Procedia PDF Downloads 2441082 Modelling and Simulation of a Commercial Thermophilic Biogas Plant
Authors: Jeremiah L. Chukwuneke, Obiora E. Anisiji, Chinonso H. Achebe, Paul C. Okolie
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This paper developed a mathematical model of a commercial biogas plant for urban area clean energy requirement. It identified biodegradable waste materials like domestic/city refuse as economically viable alternative source of energy. The mathematical formulation of the proposed gas plant follows the fundamental principles of thermodynamics, and further analyses were accomplished to develop an algorithm for evaluating the plant performance preferably in terms of daily production capacity. In addition, the capacity of the plant is equally estimated for a given cycle of operation and presented in time histories. A nominal 1500 m3 power gas plant was studied characteristically and its performance efficiency evaluated. It was observed that the rate of bio gas production is essentially a function of the reactor temperature, pH, substrate concentration, rate of degradation of the biomass, and the accumulation of matter in the system due to bacteria growth. The results of this study conform to a very large extent with reported empirical data of some existing plant and further model validations were conducted in line with classical records found in literature.Keywords: energy and mass conservation, specific growth rate, thermophilic bacteria, temperature, rate of bio gas production
Procedia PDF Downloads 4421081 A Unified Approach for Naval Telecommunication Architectures
Authors: Y. Lacroix, J.-F. Malbranque
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We present a chronological evolution for naval telecommunication networks. We distinguish periods: with or without multiplexers, with switch systems, with federative systems, with medium switching, and with medium switching with wireless networks. This highlights the introduction of new layers and technology in the architecture. These architectures are presented using layer models of transmission, in a unified way, which enables us to integrate pre-existing models. A ship of a naval fleet has internal communications (i.e. applications' networks of the edge) and external communications (i.e. the use of the means of transmission between edges). We propose architectures, deduced from the layer model, which are the point of convergence between the networks on board and the HF, UHF radio, and satellite resources. This modelling allows to consider end-to-end naval communications, and in a more global way, that is from the user on board towards the user on shore, including transmission and networks on the shore side. The new architectures need take care of quality of services for end-to-end communications, the more remote control develops a lot and will do so in the future. Naval telecommunications will be more and more complex and will use more and more advanced technologies, it will thus be necessary to establish clear global communication schemes to grant consistency of the architectures. Our latest model has been implemented in a military naval situation, and serves as the basic architecture for the RIFAN2 network.Keywords: equilibrium beach profile, eastern tombolo of Giens, potential function, erosion
Procedia PDF Downloads 2911080 In vitro Disaggregation and Dissolution of Four IR Lamotrigine Solid Dosage Forms
Authors: Ilaria Manca, Ilaria Manca, Francesca Pettinau, Ignazia Mocci, Elisabetta M. Usai, Barbara Pittau
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Lamotrigine is a phenyltriazine used in the treatment of epilepsy and bipolar disorder type I. The purpose of this study was to test and compare various solid forms of immediate release (IR) lamotrigine products, at different strenghts, in order to study their disaggregation and dissolution behavior. IR products are designed to release their active substance promptly after administration. Concentration of hydrochloric acid in gastric juice is about 0.1-0.001 M, so FDA (Food and Drug Administration) recommends, for lamotrigine regular tablets, dissolution tests in HCl 0.1 M.Toinvestigate the pH dependency of drug release in the entire gastrointestinal tract, we worked at two additional media with different pH values (4.5 and 6.8), that reflect conditions in it. To afford acceptable dissolution rates, tablets must disintegrate. Disaggregation of constituent particles increases the surface area and substantially increases the dissolution rate. For this reason availability of an active substance from tablets depends on its ability to disintegrate fast in dissolution media. pH of gastrointestinal fluid affects drug absorption by conditioning its solubility and dissolution, but also tablet disintegration may be influenced by it. To obtain information about the quantitative relationship between different mixture components, Nuclear Magnetic Resonance (NMR) spectroscopy was used. We also investigate tablet hardness. The investigation carried out confirms pH 1.2 as the ideal environment for the immediate availability of the active substance.Keywords: dissolution, disaggregation, Lamotrigine, bioequivalence
Procedia PDF Downloads 4531079 The Influence of a Vertical Rotation on the Fluid Dynamics of Compositional Plumes
Authors: Khaled Suleiman Mohammed Al-Mashrafi
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A compositional plume is a fluid flow in a directional channel of finite width in another fluid of different material composition. The study of the dynamics of compositional plumes plays an essential role in many real-life applications like industrial applications (e.g., iron casting), environmental applications (e.g., salt fingers and sea ice), and geophysical applications (e.g., solidification at the inner core boundary (ICB) of the Earth, and mantle plumes). The dynamics of compositional plumes have been investigated experimentally and theoretically. The experimental works observed that the plume flow seems to be stable, although some experiments showed that it can be unstable. At the same time, the theoretical investigations showed that the plume flow is unstable. This is found to be true even if the plume is subject to rotation or/and in the presence of a magnetic field and even if another plume of different composition is also present. It is noticeable that all the theoretical studies on the dynamics of compositional plumes are conducted in unbounded domains. The present work is to investigate theoretically the influence of vertical walls (boundaries) on the dynamics of compositional plumes in the absence/presence of a rotation field. The mathematical model of the dynamics of compositional plumes used the equations of continuity, motion, heat, concentration of light material, and state. It is found that the presence of boundaries has a strong influence on the basic state solution as well as the stability of the plume, particularly when the plume is close to the boundary, but the compositional plume remains unstable.Keywords: compositional plumes, stability, bounded domain, vertical boundaries
Procedia PDF Downloads 311078 Synthesis and Characterization of Some 1, 2, 3-Triazole Derivatives Containing the Chalcone Moiety and Evaluation for their Antimicrobial and Antioxidant Activity
Authors: Desta Gebretekle Shiferaw, Balakrishna Kalluraya
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Triazoles are basic five-membered ring heterocycles with an unsaturated, six-delocalized electron ring system. Since the dawn of click chemistry, triazoles have represented a functional heterocyclic core that has been the foundation of medicinal chemistry. The compounds with 1,2,3-triazole rings can be used in several fields, including medicine, organic synthesis, polymer chemistry, fluorescent imaging, horticulture, and industries, to name a few. Besides that, they found it to have health applications in the prevention and reduction of the risk of diseases, such as anti-cancer, antimicrobial, antiviral, and anti-inflammatory properties. Here, we present the synthesis of twelve 1,2,3-triazolyl chalcone derivatives (4a–l), which were produced in high yields by coupling substituted aldehydes and triazolyl acetophenone (3a–d) in ethanol. The title products were characterized by physicochemical, infrared, nuclear magnetic resonance, and mass spectral methods. The in vitro tests were used to evaluate the antioxidant and antimicrobial activity of each of the prepared molecules. The preliminary assessment and 2,2-diphenyl-1-picrylhydrazyl activity of the title compounds showed significantly higher antibacterial activity and moderate-to-good antifungal and antioxidant activities compared to their standards. This work presents the synthesis of triazolyl chalcone derivatives and their biological activity. Based on the findings, these compounds could be used as lead compounds in antimicrobial and antioxidant research in the future.Keywords: antibacterial activity, antifungal activity, antioxidant activity, chalcone, 1, 2, 3-triazole
Procedia PDF Downloads 1261077 Optimization of Machine Learning Regression Results: An Application on Health Expenditures
Authors: Songul Cinaroglu
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Machine learning regression methods are recommended as an alternative to classical regression methods in the existence of variables which are difficult to model. Data for health expenditure is typically non-normal and have a heavily skewed distribution. This study aims to compare machine learning regression methods by hyperparameter tuning to predict health expenditure per capita. A multiple regression model was conducted and performance results of Lasso Regression, Random Forest Regression and Support Vector Machine Regression recorded when different hyperparameters are assigned. Lambda (λ) value for Lasso Regression, number of trees for Random Forest Regression, epsilon (ε) value for Support Vector Regression was determined as hyperparameters. Study results performed by using 'k' fold cross validation changed from 5 to 50, indicate the difference between machine learning regression results in terms of R², RMSE and MAE values that are statistically significant (p < 0.001). Study results reveal that Random Forest Regression (R² ˃ 0.7500, RMSE ≤ 0.6000 ve MAE ≤ 0.4000) outperforms other machine learning regression methods. It is highly advisable to use machine learning regression methods for modelling health expenditures.Keywords: machine learning, lasso regression, random forest regression, support vector regression, hyperparameter tuning, health expenditure
Procedia PDF Downloads 2261076 Combating Malaria: A Drug Discovery Approach Using Thiazole Derivatives Against Prolific Parasite Enzyme PfPKG
Authors: Hari Bezwada, Michelle Cheon, Ryan Divan, Hannah Escritor, Michelle Kagramian, Isha Korgaonkar, Maya MacAdams, Udgita Pamidigantam, Richard Pilny, Eleanor Race, Angadh Singh, Nathan Zhang, LeeAnn Nguyen, Fina Liotta
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Malaria is a deadly disease caused by the Plasmodium parasite, which continues to develop resistance to current antimalarial drugs. In this research project, the effectiveness of numerous thiazole derivatives was explored in inhibiting the PfPKG, a crucial part of the Plasmodium life cycle. This study involved the synthesis of six thiazole-derived amides to inhibit the PfPKG pathway. Nuclear Magnetic Resonance (NMR) spectroscopy and Infrared (IR) spectroscopy were used to characterize these compounds. Furthermore, AutoDocking software was used to predict binding affinities of these thiazole-derived amides in silico. In silico, compound 6 exhibited the highest predicted binding affinity to PfPKG, while compound 5 had the lowest affinity. Compounds 1-4 displayed varying degrees of predicted binding affinity. In-vitro, it was found that compound 4 had the best percent inhibition, while compound 5 had the worst percent inhibition. Overall, all six compounds had weak inhibition (approximately 30-39% at 10 μM), but these results provide a foundation for future drug discovery experiments.Keywords: Medicinal Chemistry, Malaria, drug discovery, PfPKG, Thiazole, Plasmodium
Procedia PDF Downloads 981075 Vibration Frequency Analysis of Sandwich Nano-Plate on Visco Pasternak Foundation by Using Modified Couple Stress Theory
Authors: Hamed Khani Arani, Mohammad Shariyat, Armaghan Mohammadian
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In this research, the free vibration of a rectangular sandwich nano-plate (SNP) made of three smart layers in the visco Pasternak foundation is studied. The core of the sandwich is a piezo magnetic nano-plate integrated with two layers of piezoelectric materials. First-order shear deformation plate theory is utilized to derive the motion equations by using Hamilton’s principle, piezoelectricity, and modified couple stress theory. Elastic medium is modeled by visco Pasternak foundation, where the damping coefficient effect is investigated on the stability of sandwich nano-plate. These equations are solved by the differential quadrature method (DQM), considering different boundary conditions. Results indicate the effect of various parameters such as aspect ratio, thickness ratio, shear correction factor, damping coefficient, and boundary conditions on the dimensionless frequency of sandwich nano-plate. The results are also compared by those available in the literature, and these findings can be used for automotive industry, communications equipment, active noise, stability, and vibration cancellation systems and utilized for designing the magnetostrictive actuator, motor, transducer and sensors in nano and micro smart structures.Keywords: free vibration, modified couple stress theory, sandwich nano-plate, visco Pasternak foundation
Procedia PDF Downloads 1381074 Investigating the Contemporary Architecture Education Challenges in India
Authors: Vriddhi Prasad
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The paper briefly outlines the nature of contemporary Architecture Education in India and its present challenges with theoretically feasible solutions. It explores in detail the arduous position of architecture education owing to, privatization of higher education institutes in India, every changing demand of the technology driven industry and discipline, along with regional and cultural resources that should be explored academically for the enrichment of graduates. With the government's education policy of supporting privatization, a comprehensive role for the regulating body of Architecture Education becomes imperative. The paper provides key insights through empirical research into the nature of these roles and the areas which need attention in light of the problems. With the aid of critically acclaimed education model like Design Build, contextual retrofits for Indian institutes can be stressed for inclusion in the curriculum. The pairing of a private institute and public industry/research body and vice versa can lead to pro-economic and pro-social research environment. These reforms if stressed by an autonomous nationwide regulating body rather than the state will lead to uniformity and flexibility of curriculum which promotes the creation of fresh graduates who are adaptable to the changing needs.Keywords: architecture education, building information modelling, design build, pedagogy
Procedia PDF Downloads 2241073 Quality Improvement Template for Undergraduate Nursing Education Curriculum Review and Analysis
Authors: Jennifer Stephens, Nichole Parker, Kristin Petrovic
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To gain a better understanding of how students enrolled in a Bachelor of Nursing (BN) program are educated, faculty members in the BN program at Athabasca University (AU) in Alberta, Canada, developed a 3-phase comprehensive curriculum review project. Phase one of this review centered around hiring an external curriculum expert to examine and analyze the current curriculum and to propose recommendations focused on identifying gaps as well as building on strengths towards meeting changing health care trends. Phase two incorporated extensive institutional document analysis as well as qualitative and quantitative data collection in reciprocated critical reflection and has yielded insights into valuable processes, challenges, and solutions inherent to the complexities of undertaking curriculum review and analysis. Results of our phase one and two analysis generated a quality improvement (QI) template that could benefit other nursing education programs engaged in curriculum review and analysis. The key processes, lessons, and insights, as well as future project phase three plans, will be presented for iterative discussion and role modelling for other institutions undergoing, or planning, content-based curriculum review and evaluation.Keywords: curriculum, education, nursing, nursing faculty practice, quality improvement
Procedia PDF Downloads 1461072 Safety Approach Highway Alignment Optimization
Authors: Seyed Abbas Tabatabaei, Marjan Naderan Tahan, Arman Kadkhodai
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An efficient optimization approach, called feasible gate (FG), is developed to enhance the computation efficiency and solution quality of the previously developed highway alignment optimization (HAO) model. This approach seeks to realistically represent various user preferences and environmentally sensitive areas and consider them along with geometric design constraints in the optimization process. This is done by avoiding the generation of infeasible solutions that violate various constraints and thus focusing the search on the feasible solutions. The proposed method is simple, but improves significantly the model’s computation time and solution quality. On the other, highway alignment optimization through Feasible Gates, eventuates only economic model by considering minimum design constrains includes minimum reduce of circular curves, minimum length of vertical curves and road maximum gradient. This modelling can reduce passenger comfort and road safety. In most of highway optimization models, by adding penalty function for each constraint, final result handles to satisfy minimum constraint. In this paper, we want to propose a safety-function solution by introducing gift function.Keywords: safety, highway geometry, optimization, alignment
Procedia PDF Downloads 4101071 Hardness Properties of 3D Printed PLA Parts by Fused Deposition Modeling Process
Authors: Anis A. Ansari, M. Kamil
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The development of 3D printing technology has allowed the manufacturing industry to create parts with a high degree of automation, increased design freedom, and improved mechanical performance. Fused deposition modelling (FDM) is a 3D printing technique in which successive layers of thermoplastic polymer are deposited and controlled to create a three-dimensional product. In this study, process parameters such as nozzle temperature and printing speed were chosen to investigate their effects on hardness properties. 3D printed specimens were fabricated by an FDM 3D printer from Polylactic acid (PLA) polymer. After analysis, it was observed that the hardness property is much influenced by print speed and nozzle temperature parameters. Maximum hardness was achieved at higher print speed which indicates that the Shore D hardness is directly proportional to the print speed. Moreover, at higher print speed, it has no significant dependence on the nozzle temperature. Hardness is also influenced by nozzle temperature, though to a lesser extent. The hardness slightly lowers when the nozzle temperature is raised from 190 to 210 oC, but due to improved bonding between each raster, a further rise in temperature increases the hardness property.Keywords: 3D printing, fused deposition modeling (FDM), polylactic acid (PLA), print speed, nozzle temperature, hardness property
Procedia PDF Downloads 961070 Evaluation of Low-Reducible Sinter in Blast Furnace Technology by Mathematical Model Developed at Centre ENET, VSB: Technical University of Ostrava
Authors: S. Jursová, P. Pustějovská, S. Brožová, J. Bilík
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The paper deals with possibilities of interpretation of iron ore reducibility tests. It presents a mathematical model developed at Centre ENET, VŠB–Technical University of Ostrava, Czech Republic for an evaluation of metallurgical material of blast furnace feedstock such as iron ore, sinter or pellets. According to the data from the test, the model predicts its usage in blast furnace technology and its effects on production parameters of shaft aggregate. At the beginning, the paper sums up the general concept and experience in mathematical modelling of iron ore reduction. It presents basic equation for the calculation and the main parts of the developed model. In the experimental part, there is an example of usage of the mathematical model. The paper describes the usage of data for some predictive calculation. There are presented material, method of carried test of iron ore reducibility. Then there are graphically interpreted effects of used material on carbon consumption, rate of direct reduction and the whole reduction process.Keywords: blast furnace technology, iron ore reduction, mathematical model, prediction of iron ore reduction
Procedia PDF Downloads 6741069 Degradation of Acetaminophen with Fe3O4 and Fe2+ as Activator of Peroxymonosulfate
Authors: Chaoqun Tan, Naiyun Gao, Xiaoyan Xin
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Perxymonosulfate (PMS)-based oxidation processes, as an alternative of hydrogen peroxide-based oxidation processes, are more and more popular because of reactive radical species (SO4-•, OH•) produced in systems. Magnetic nano-scaled particles Fe3O4 and ferrous anion (Fe2+) were studied for the activation of PMS for degradation of acetaminophen (APAP) in water. The Fe3O4 MNPs were found to effectively catalyze PMS for APAP and the reactions well followed a pseudo-first-order kinetics pattern (R2 > 0.95), while the degradation of APAP in PMS-Fe2+ system proceeds through two stages: a fast stage and a much slower stage. Within 5 min, approximately 7% and 18% of 10 ppm APAP was accomplished by 0.2 mM PMS in Fe3O4 (0.8g/L) and Fe2+ (0.1mM) activation process. However, as reaction proceed to 120 min, approximately 75% and 35% of APAP was removed in Fe3O4 activation process and Fe2+ activation process, respectively. Within 120 min, the mineralization of APAP was about 7.5% and 5.0% (initial APAP of 10 ppm and [PMS]0 of 0.2 mM) in Fe3O4-PMS and Fe2+-PMS system, while the mineralization could be greatly increased to about 31% and 40% as [PMS]0 increased to 2.0 mM in in Fe3O4-PMS and Fe2+-PMS system, respectively. At last, the production of reactive radical species were validated directly from Electron Paramagnetic Resonance (ESR) tests with 0.1 M 5,5-dimethyl-1-pyrrolidine N-oxide (DMPO). Plausible mechanisms on the radical generation from Fe3O4 and Fe2+ activation of PMS are proposed on the results of radial identification tests. The results demonstrated that Fe3O4 MNPs activated PMS and Fe2+ anion activated PMS systems are promising technologies for water pollution caused by contaminants such as pharmaceutical. Fe3O4-PMS system is more suitable for slowly remediation, while Fe2+-PMS system is more suitable for fast remediation.Keywords: acetaminophen, peroxymonosulfate, radicals, Fe3O4
Procedia PDF Downloads 2561068 Thermal Effect on Wave Interaction in Composite Structures
Authors: R. K. Apalowo, D. Chronopoulos, V. Thierry
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There exist a wide range of failure modes in composite structures due to the increased usage of the structures especially in aerospace industry. Moreover, temperature dependent wave response of composite and layered structures have been continuously studied, though still limited, in the last decade mainly due to the broad operating temperature range of aerospace structures. A wave finite element (WFE) and finite element (FE) based computational method is presented by which the temperature dependent wave dispersion characteristics and interaction phenomenon in composite structures can be predicted. Initially, the temperature dependent mechanical properties of the panel in the range of -100 ◦C to 150 ◦C are measured experimentally using the Thermal Mechanical Analysis (TMA). Temperature dependent wave dispersion characteristics of each waveguide of the structural system, which is discretized as a system of a number of waveguides coupled by a coupling element, is calculated using the WFE approach. The wave scattering properties, as a function of temperature, is determined by coupling the WFE wave characteristics models of the waveguides with the full FE modelling of the coupling element on which defect is included. Numerical case studies are exhibited for two waveguides coupled through a coupling element.Keywords: finite element, temperature dependency, wave dispersion characteristics, wave finite element, wave scattering properties
Procedia PDF Downloads 3091067 Business Domain Modelling Using an Integrated Framework
Authors: Mohammed Hasan Salahat, Stave Wade
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This paper presents an application of a “Systematic Soft Domain Driven Design Framework” as a soft systems approach to domain-driven design of information systems development. The framework combining techniques from Soft Systems Methodology (SSM), the Unified Modeling Language (UML), and an implementation pattern knows as ‘Naked Objects’. This framework have been used in action research projects that have involved the investigation and modeling of business processes using object-oriented domain models and the implementation of software systems based on those domain models. Within this framework, Soft Systems Methodology (SSM) is used as a guiding methodology to explore the problem situation and to develop the domain model using UML for the given business domain. The framework is proposed and evaluated in our previous works, and a real case study ‘Information Retrieval System for Academic Research’ is used, in this paper, to show further practice and evaluation of the framework in different business domain. We argue that there are advantages from combining and using techniques from different methodologies in this way for business domain modeling. The framework is overviewed and justified as multi-methodology using Mingers Multi-Methodology ideas.Keywords: SSM, UML, domain-driven design, soft domain-driven design, naked objects, soft language, information retrieval, multimethodology
Procedia PDF Downloads 5601066 The Effect of AMBs Number of a Dynamics Behavior of a Spur Gear Reducer in Non-Stationary Regime
Authors: Najib Belhadj Messaoud, Slim Souissi
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The non-linear dynamic behavior of a single stage spur gear reducer is studied in this paper in transient regime. Driving and driver rotors are, respectively, powered by a motor torque Cm and loaded by a resistive torque Cr. They are supported by two identical Active Magnetic Bearings (AMBs). Gear excitation is induced by the motor torque and load variation in addition to the fluctuation of meshing stiff-ness due to the variation of input rotational speed. Three models of AMBs were used with four, six and eight magnets. They are operated by P.D controller and powered by control and bias currents. The dynamic parameters of the AMBs are modeled by stiffness and damping matrices computed by the derivation of the electromagnetic forces. The equations of motion are solved iteratively using Newmark time integration method. In the first part of the study, the model is powered by an electric motor and by a four strokes four cylinders diesel engine in the second part. The numerical results of the dynamic responses of the system come to confirm the significant effect of the transient regime on the dynamic behavior of a gear set, particularly in the case of engine acyclism condition. Results also confirm the influence of the magnet number by AMBs on the dynamic behavior of the system. Indeed, vibrations were more important in the case of gear reducer supported by AMBs with four magnets.Keywords: motor, stiffness, gear, acyclism, fluctuation, torque
Procedia PDF Downloads 459