Search results for: pre-clinical simulation

Authors: L. Grinis, N. Lubashevsky, Y. Ostrovski

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A jet pump is a type of pump that accelerates the flow of a secondary fluid (driven fluid) by introducing a motive fluid with high velocity into a converging-diverging nozzle. Jet pumps are also known as adductors or ejectors depending on the motivator phase. The ejector's motivator is of a gaseous nature, usually steam or air, while the educator's motivator is a liquid, usually water. Jet pumps are devices that use air bubbles and are widely used in wastewater treatment processes. In this work, we will discuss about the characteristics of the jet pump and the computational simulation of this device. To find the optimal angle and depth for the air pipe, so as to achieve the maximal air volumetric flow rate, an experimental apparatus was constructed to ascertain the best geometrical configuration for this new type of jet pump. By using 3D printing technology, a series of jet pumps was printed and tested whilst aspiring to maximize air flow rate dependent on angle and depth of the air pipe insertion. The experimental results show a major difference of up to 300% in performance between the different pumps (ratio of air flow rate to supplied power) where the optimal geometric model has an insertion angle of 60⁰ and air pipe insertion depth ending at the center of the mixing chamber. The differences between the pumps were further explained by using CFD for better understanding the reasons that affect the airflow rate. The validity of the computational simulation and the corresponding assumptions have been proved experimentally. The present research showed high degree of congruence with the results of the laboratory tests. This study demonstrates the potential of using of the jet pump in many practical applications.

Keywords: air bubbles, CFD simulation, jet pump, applications

Procedia PDF Downloads 243

Authors: Noora Al Muftah, Reda Rawi, Richard Thompson, Halima Bensmail

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Clinical responses to anticancer therapies are often restricted to a subset of patients. In some cases, mutated cancer genes are potent biomarkers of response to targeted agents. There is an urgent need to identify biomarkers that predict which patients with are most likely to respond to treatment. Systematic efforts to correlate tumor mutational data with biologic dependencies may facilitate the translation of somatic mutation catalogs into meaningful biomarkers for patient stratification. To identify genomic features associated with drug sensitivity and uncover new biomarkers of sensitivity and resistance to cancer therapeutics, we have screened and integrated a panel of several hundred cancer cell lines from different databases, mutation, DNA copy number, and gene expression data for hundreds of cell lines with their responses to targeted and cytotoxic therapies with drugs under clinical and preclinical investigation. We found mutated cancer genes were associated with cellular response to most currently available Glioma cancer drugs and some frequently mutated genes were associated with sensitivity to a broad range of therapeutic agents. By linking drug activity to the functional complexity of cancer genomes, systematic pharmacogenomic profiling in cancer cell lines provides a powerful biomarker discovery platform to guide rational cancer therapeutic strategies.

Keywords: cancer, gene network, Lasso, penalized regression, P-values, unbiased estimator

Procedia PDF Downloads 409

Authors: J. R. Wang, H. T. Lin, H. C. Chen, C. Shih, S. W. Chen, S. C. Chiang, C. C. Liu

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In this research, TRACE model of Chinshan BWR/4 Nuclear Power Plant (NPP) has been developed for the simulation and analysis of Ultimate Response Guideline (URG). The main actions of URG are the depressurization and low pressure water injection of reactor and containment venting. This research focuses to verify the URG efficiency under Fukushima-like conditions. Trace analysis results show that the URG can keep the PCT below the criteria 1088.7 K under Fukushima-like conditions. It indicated that Chinshan NPP was safe.

Keywords: BWR, trace, safety analysis, URG

Procedia PDF Downloads 621

Authors: Muhammad Umar Kiani, Muhammad Shahbaz, Hassan Akbar

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Simulation of a high speed inviscid steady ideal air flow around a 2D/axial-symmetry body was carried out by the use of mb_cns code. mb_cns is a program for the time-integration of the Navier-Stokes equations for two-dimensional compressible flows on a multiple-block structured mesh. The flow geometry may be either planar or axisymmetric and multiply-connected domains can be modeled by patching together several blocks. The main simulation code is accompanied by a set of pre and post-processing programs. The pre-processing programs scriptit and mb_prep start with a short script describing the geometry, initial flow state and boundary conditions and produce a discretized version of the initial flow state. The main flow simulation program (or solver as it is sometimes called) is mb_cns. It takes the files prepared by scriptit and mb_prep, integrates the discrete form of the gas flow equations in time and writes the evolved flow data to a set of output files. This output data may consist of the flow state (over the whole domain) at a number of instants in time. After integration in time, the post-processing programs mb_post and mb_cont can be used to reformat the flow state data and produce GIF or postscript plots of flow quantities such as pressure, temperature and Mach number. The current problem is an example of supersonic inviscid flow. The flow domain for the current problem (strake configuration wing) is discretized by a structured grid and a finite-volume approach is used to discretize the conservation equations. The flow field is recorded as cell-average values at cell centers and explicit time stepping is used to update conserved quantities. MUSCL-type interpolation and one of three flux calculation methods (Riemann solver, AUSMDV flux splitting and the Equilibrium Flux Method, EFM) are used to calculate inviscid fluxes across cell faces.

Keywords: steady flow simulation, processing programs, simulation code, inviscid flux

Procedia PDF Downloads 429

Authors: Mohammad Reza Dahmardeh Ghaleno, Mohammad Nohtani, Saeedeh Khaledi

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Hydrological models are applied to simulation and prediction floods in watersheds. WetSpa is a distributed, continuous and physically model with daily or hourly time step that explains of precipitation, runoff and evapotranspiration processes for both simple and complex contexts. This model uses a modified rational method for runoff calculation. In this model, runoff is routed along the flow path using Diffusion-Wave Equation which depend on the slope, velocity and flow route characteristics. Garmabrood watershed located in Mazandaran province in Iran and passing over coordinates 53° 10´ 55" to 53° 38´ 20" E and 36° 06´ 45" to 36° 25´ 30"N. The area of the catchment is about 1133 km2 and elevations in the catchment range from 213 to 3136 m at the outlet, with average slope of 25.77 %. Results of the simulations show a good agreement between calculated and measured hydrographs at the outlet of the basin. Drawing upon Nash-Sutcliffe Model Efficiency Coefficient for calibration periodic model estimated daily hydrographs and maximum flow rate with an accuracy up to 61% and 83.17 % respectively.

Keywords: watershed simulation, WetSpa, runoff, flood prediction

Procedia PDF Downloads 335

Authors: Mohamed Mesbah, Bruce Janson

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An interchange is the most important component of freeway and highway facilities. It is working as a connector between the highway’s elements. The main goal of designing interchanges is to provide an acceptable level of service and delay to make vehicles move smoothly when they are entering and exiting the interchange. There are many factors that can have a significant impact on the level of service; the main factors are traffic volumes, and type of interchange. This paper will discuss interchange with roundabouts under various values of traffic volumes to determine the level of service of the interchanges that will be studied in this paper and replace the system of interchange from roundabout to traffic signal to make a significant compression between these systems. A secondary goal is to propose improvements for scenarios where the level of service is deemed unacceptable. This will be achieved using Synchro traffic simulation software, which facilitates the simulation and optimization of interchanges to enhance operational efficiency and safety.

Keywords: interchange, roundabout, traffic signal, Synchro, delay, level of service, traffic volumes, vehicles, simulation, optimization, adjustment

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Authors: Raj Banerjee, Y. M. Parulekar, Aniruddha Sengupta, J. Chattopadhyay

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This study proposes a Discrete Element Method (DEM) simulation using a commercial software PFC 2D (2019) for quantitatively simulating the monotonic and cyclic behaviour of sand using irregular shapes of sand grains. A preliminary analysis of the number of particles for optimal Representative Element Volume (REV) simulation of dimension 35mm x 35mm x 70mm using the scaled Grain Size Distribution (GSD) of sand is carried out. Subsequently, the effect of particle shape on the performance of sand during monotonic and cyclic bi-axial tests is assessed using numerical simulation. The validation of the numerical simulation for one case is carried out using the test results from the literature. Further numerical studies are performed in which the particles in REV are simulated by mixing round discs with irregular clumps (100% round disc, 75% round disc 25% irregular clump, 50% round disc 50% irregular clump, 25% round disc 75% irregular clump, 100% irregular clump) in different proportions using Dry Deposition (DD) method. The macro response for monotonic loading shows that irregular sand has a higher strength than round particles and that the Mohr-Coulomb failure envelope depends on the shape of the grains. During cyclic loading, it is observed that the liquefaction resistance curve (Cyclic Stress Ratio (CSR)-Number of cycles (N)) of sand is dependent on the combination of particle shapes with different proportions.

Keywords: biaxial test, particle shape, monotonic, cyclic

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Authors: Jingde Li, Hong Hao

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Recent oil and gas accidents have reminded us the severe consequences of gas explosion on structure damage and financial loss. In order to protect the structures and personnel, engineers and researchers have been working on numerous different explosion mitigation methods. Amongst, venting is the most economical approach to mitigate gas explosion overpressure. In this paper, venting is used as the overpressure alleviation method. A theoretical method and a numerical technique are presented to predict the internal and external pressure from vented gas explosion in a large enclosure. Under idealized conditions, a number of experiments are used to calibrate the accuracy of the theoretically calculated data. A good agreement between the theoretical results and experimental data is seen. However, for realistic scenarios, the theoretical method over-estimates internal pressures and is incapable of predicting external pressures. Therefore, a CFD simulation procedure is proposed in this study to estimate both the internal and external overpressure from a large-scale vented explosion. Satisfactory agreement between CFD simulation results and experimental data is achieved.

Keywords: vented gas explosion, internal pressure, external pressure, CFD simulation, FLACS, ANSYS Fluent

Procedia PDF Downloads 160

Authors: Mohammad Rahim Rahnama

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The study employs Monte Carlo method for simulation of rented housing in Mashhad second largest city in Iran. A total number of 334 rental residential units in Mashhad, including both apartments and houses (villa), were randomly selected from advertisements placed in Khorasan Newspapers during the months of July and August of 2015. In order to simulate the monthly rent price, the rent index was calculated through combining the mortgage and the rent price. In the next step, the relation between the variables of the floor area and that of the number of bedrooms for each unit, in both apartments and houses(villa), was calculated through multivariate regression using SPSS and was coded in XML. The initial model was called using simulation button in SPSS and was simulated using triangular and binominal algorithms. The findings revealed that the average simulated rental index was 548.5$ per month. Calculating the sensitivity of rental index to a number of bedrooms we found that firstly, 97% of units have three bedrooms, and secondly as the number of bedrooms increases from one to three, for the rent price of less than 200$, the percentage of units having one bedroom decreases from 10% to 0. Contrariwise, for units with the rent price of more than 571.4$, the percentage of bedrooms increases from 37% to 48%. In the light of these findings, it becomes clear that planning to build rental residential units, overseeing the rent prices, and granting subsidies to rental residential units, for apartments with two bedrooms, present a felicitous policy for regulating residential units in Mashhad.

Keywords: Mashhad, Monte Carlo, simulation, rent price, residential unit

Procedia PDF Downloads 275

Authors: T. Davitashvili

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In this paper, some results of numerical simulation of the air flow dynamics in the troposphere over the Caucasus Mountains taking place in conditions of nonstationarity of large-scale undisturbed background flow are presented. Main features of the atmospheric currents changeability while air masses are transferred from the Black Sea to the land’s surface had been investigated. In addition, the effects of thermal and advective-dynamic factors of atmosphere on the changes of the West Georgian climate have been studied. It was shown that non-proportional warming of the Black Sea and Colkhi lowland provokes the intensive strengthening of circulation and effect of climate cooling in the western Georgia.

Keywords: regional climate, numerical simulation, local circulation, orographic effect

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Authors: Ali Dalirbod, Peyman Ahmadian

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Inclusions are unavoidable part of all steels. Non-metallic inclusions have significant effects on mechanical properties of steel. The effects of inclusion on stress concentration around the matrix/inclusion have been extensively studied. The results relating to single inclusion behavior, describe properly the behavior of stress but not the elongation drop. The raised stress in inclusion/matrix results in crack initiation. The influence of binary inclusions on stress concentration around matrix is a major aim of this work which is representative of the simple pattern distribution of non-metallic inclusions. Stress concentration around inclusions in this case depends on parameters like distance between two inclusions (d), angle between centrally linking line of two inclusions, load axis (φ), and rotational angle of inclusion (θ). FEM analysis was applied to investigate the highest and lowest ductility versus varying parameters above. The simulation results show that there is a critical distance between two cubic inclusions in which bigger than the threshold, the stress, and strain field in matrix/inclusions interface converts into individual fields around each inclusion.

Keywords: nitride inclusion, simulation, tensile properties, inclusion-matrix interface

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Authors: Mohammad Arif Khan

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This paper analyzes and presents the development of Artificial Neural Network based controller of space vector modulation (ANN-SVPWM) for a seven-phase voltage source inverter. At first, the conventional method of producing sinusoidal output voltage by utilizing six active and one zero space vectors are used to synthesize the input reference, is elaborated and then new PWM scheme called Artificial Neural Network Based PWM is presented. The ANN based controller has the advantage of the very fast implementation and analyzing the algorithms and avoids the direct computation of trigonometric and non-linear functions. The ANN controller uses the individual training strategy with the fixed weight and supervised models. A computer simulation program has been developed using Matlab/Simulink together with the neural network toolbox for training the ANN-controller. A comparison of the proposed scheme with the conventional scheme is presented based on various performance indices. Extensive Simulation results are provided to validate the findings.

Keywords: space vector PWM, total harmonic distortion, seven-phase, voltage source inverter, multi-phase, artificial neural network

Procedia PDF Downloads 451

Authors: Zerzouri Nora

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In this paper, author presented the generalities of a photovoltaic system study and simulation. Author inserted the DC-DC converter to raise the voltage level and improve the operation of the PV panel by continuing the operating point at maximum power by using the Perturb and Observe technique (P&O). The connection to the network is made by inserting a three-phase voltage inverter allowing synchronization with the network the inverter is controlled by a PWM control. The simulation results allow the author to visualize the operation of the different components of the system, as well as the behavior of the system during the variation of meteorological values.

Keywords: photovoltaic generator PV, boost converter, P&O MPPT, PWM inverter, three phase grid

Procedia PDF Downloads 119

Authors: Imran Badshah

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Pedestrian service time reflects the performance of the facility, and it’s a key parameter to analyze the capability of facilities provided to serve pedestrians. The level of service of pedestrians (LOS) mainly depends on pedestrian time and safety. The pedestrian time utilized by taking a service is mainly influenced by the number of available services and the time utilized by each pedestrian in receiving a service; that is called a delay time. In this paper, we analyzed the simulated pedestrian service time with different delay times. A simulation is performed in AnyLogic by developing a model that reflects the real scenario of pedestrian services such as ticket machine gates at rail stations, airports, shopping malls, and cinema halls. The simulated pedestrian time is determined for various delay values. The simulated result shows how pedestrian time changes with the delay pattern. The histogram and time plot graph of a model gives the mean, maximum and minimum values of the pedestrian time. This study helps us to check the behavior of pedestrian time at various services such as subway stations, airports, shopping malls, and cinema halls.

Keywords: agent-based simulation, anylogic model, pedestrian behavior, time delay

Procedia PDF Downloads 210

Authors: M. Cardenas-Garcia, P. P. Gonzalez-Perez

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Intercellular communication is a necessary condition for cellular functions and it allows a group of cells to survive as a population. Throughout this interaction, the cells work in a coordinated and collaborative way which facilitates their survival. In the case of cancerous cells, these take advantage of intercellular communication to preserve their malignancy, since through these physical unions they can send signs of malignancy. The Wnt/β-catenin signaling pathway plays an important role in the formation of intercellular communications, being also involved in a large number of cellular processes such as proliferation, differentiation, adhesion, cell survival, and cell death. The modeling and simulation of cellular signaling systems have found valuable support in a wide range of modeling approaches, which cover a wide spectrum ranging from mathematical models; e.g., ordinary differential equations, statistical methods, and numerical methods– to computational models; e.g., process algebra for modeling behavior and variation in molecular systems. Based on these models, different simulation tools have been developed from mathematical ones to computational ones. Regarding cellular and molecular processes in cancer, its study has also found a valuable support in different simulation tools that, covering a spectrum as mentioned above, have allowed the in silico experimentation of this phenomenon at the cellular and molecular level. In this work, we simulate and explore the complex interaction patterns of intercellular communication in cancer cells using the Cellulat bioinformatics tool, a computational simulation tool developed by us and motivated by two key elements: 1) a biochemically inspired model of self-organizing coordination in tuple spaces, and 2) the Gillespie’s algorithm, a stochastic simulation algorithm typically used to mimic systems of chemical/biochemical reactions in an efficient and accurate way. The main idea behind the Cellulat simulation tool is to provide an in silico experimentation environment that complements and guides in vitro experimentation in intra and intercellular signaling networks. Unlike most of the cell signaling simulation tools, such as E-Cell, BetaWB and Cell Illustrator which provides abstractions to model only intracellular behavior, Cellulat is appropriate for modeling both intracellular signaling and intercellular communication, providing the abstractions required to model –and as a result, simulate– the interaction mechanisms that involve two or more cells, that is essential in the scenario discussed in this work. During the development of this work we made evident the application of our computational simulation tool (Cellulat) for the modeling and simulation of intercellular communication between normal and cancerous cells, and in this way, propose key molecules that may prevent the arrival of malignant signals to the cells that surround the tumor cells. In this manner, we could identify the significant role that has the Wnt/β-catenin signaling pathway in cellular communication, and therefore, in the dissemination of cancer cells. We verified, using in silico experiments, how the inhibition of this signaling pathway prevents that the cells that surround a cancerous cell are transformed.

Keywords: cancer cells, in silico approach, intercellular communication, key molecules, modeling and simulation

Procedia PDF Downloads 249

Authors: Saeid Jalilzadeh

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Designing of PSS and SVC controller based on Bacterial Foraging Algorithm (BFA) to improve the stability of power system is proposed in this paper. Same controllers for PSS and SVC has been considered and Single machine infinite bus (SMIB) system with SVC located at the terminal of generator is used to evaluate the proposed controllers. BFA is used to optimize the coefficients of the controllers. Finally simulation for a special disturbance as an input power of generator with the proposed controllers in order to investigate the dynamic behavior of generator is done. The simulation results demonstrate that the system composed with optimized controllers has an outstanding operation in fast damping of oscillations of power system.

Keywords: PSS, SVC, SMIB, optimize controller

Procedia PDF Downloads 457

Authors: Qijiao He

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MicroElectrical-Mechanical System (MEMS) is one of the most rapidly developing frontier research field both in theory study and applied technology. Micro-channel is a very important link component of MEMS. With the research and development of MEMS, the size of the micro-devices and the micro-channels becomes further smaller. Compared with the macroscale flow, the flow characteristics of gas in the micro-channel have changed, and the rarefaction effect appears obviously. However, for the rarefied gas and microscale flow, Navier-Stokes-Fourier (NSF) equations are no longer appropriate due to the breakup of the continuum hypothesis. A Nonlinear Coupled Constitutive Model (NCCM) has been derived from the Boltzmann equation to describe the characteristics of both continuum and rarefied gas flows. We apply the present scheme to simulate continuum and rarefied gas flows in a micro-channel structure. And for comparison, we apply other widely used methods which based on particle simulation or direct solution of distribution function, such as Direct simulation of Monte Carlo (DSMC), Unified Gas-Kinetic Scheme (UGKS) and Lattice Boltzmann Method (LBM), to simulate the flows. The results show that the present solution is in better agreement with the experimental data and the DSMC, UGKS and LBM results than the NSF results in rarefied cases but is in good agreement with the NSF results in continuum cases. And some characteristics of both continuum and rarefied gas flows are observed and analyzed.

Keywords: continuum and rarefied gas flows, discontinuous Galerkin method, generalized hydrodynamic equations, numerical simulation

Procedia PDF Downloads 171

Authors: Cleto J. Sauer Jr

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Introduction: Brazil’s new national curriculum guidelines (NCG) for medical education were published in 2014, presenting active learning methodologies as a cornerstone. Simulation was initially applied for aviation pilots’ training and is currently applied in health sciences. The high-fidelity simulator replicates human body anatomy in detail, also reproducing physiological functions and its use is increasing in medical schools. Realistic Simulation (RS) has pedagogical aspects that are aligned with Brazil’s NCG teaching concepts. The main objective of this study is to carry on a narrative review on RS’s aspects that are aligned with Brazil’s new NCG teaching concepts. Methodology: A narrative review was conducted, with search in three databases (PubMed, Embase and BVS) of studies published between 2010 and 2020. Results: After systematized search, 49 studies were selected and divided into four thematic groups. RS is aligned with new Brazilian medical curriculum as it is an active learning methodology, providing greater patient safety, uniform teaching, and student's emotional skills enhancement. RS is based on reflective learning, a teaching concept developed for adult’s education. Conclusion: RS is a methodology aligned with NCG teaching concepts and has potential to assist in the implementation of new Brazilian medical school’s curriculum. It is an immersive and interactive methodology, which provides reflective learning in a safe environment for students and patients.

Keywords: curriculum, high-fidelity simulator, medical education, realistic simulation

Procedia PDF Downloads 153

Authors: Ali Asghar Memon

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The simulation modeling of switched reluctance (SR) machine often relies and uses the three data tables identified as static torque characteristics that include flux linkage characteristics, co energy characteristics and static torque characteristics separately. It has been noticed from the literature that the data of static torque used in the simulation model is often calculated so far the literature is concerned. This paper presents the simulation model that include the data of measured and calculated static torque separately to see its effect on instantaneous torque profile of the machine. This is probably for the first time so far the literature review is concerned that static torque from co energy information, and measured static torque directly from experiments are separately used in the model. This research is helpful for accurate modeling of switched reluctance drive.

Keywords: static characteristics, current chopping, flux linkage characteristics, switched reluctance motor

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Authors: Shanna Su, Kathleen Vincent

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Introduction: A non-hormonal prescription vaginal pH modulator (VPM) gel (Phexxi®), with active ingredients lactic acid, citric acid, and potassium bitartrate, has recently been approved for the prevention of pregnancy in the United States. The objective of this review is to compile the evidence available from published preclinical and clinical trials to support its use. Areas covered: PubMed was searched for published literature on VPM gel. Two Phase III trials were found on the clinicaltrials.gov database. The results demonstrated that VPM gel is safe, with minimal side effects, and effective (cumulative 6-7 cycle pregnancy rate of 4.1-13.65%, (Pearl Index 27.5) as a contraceptive. Microbicidal effects suggest the potential for the prevention of sexually transmitted infections (STIs); currently, a Phase III clinical trial is being conducted to evaluate the prevention of chlamydia and gonorrhea. Expert opinion: Non-hormonal reversible contraceptive options have been limited to the highly effective copper-releasing intrauterine device that requires insertion by a trained clinician and less effective coitally-associated barrier and spermicide options which are typically available over-the-counter. Spermicides, which improve the efficacy of barrier devices, may increase the risk of Human Immunodeficiency Virus (HIV)/STIs. VPM gel provides a new safe, effective non-hormonal contraceptive option with the potential for prevention of STIs.

Keywords: citric acid, lactic acid, non-hormonal contraception, potassium bitartrate, topical vaginal contraceptive, vaginal pH modulator gel

Procedia PDF Downloads 100

Authors: Zhaofeng Li, Jun Kang Chow, Yu-Hsing Wang

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This paper attempts to bridge the soil properties and the mechanical response of soil in the discrete element method (DEM) simulation. The artificial neural network (ANN) was therefore adopted, aiming to reproduce the stress-strain-volumetric response when soil properties are given. 31 biaxial shearing tests with varying soil parameters (e.g., initial void ratio and interparticle friction coefficient) were generated using the DEM simulations. Based on these 45 sets of training data, a three-layer neural network was established which can output the entire stress-strain-volumetric curve during the shearing process from the input soil parameters. Beyond the training data, 2 additional sets of data were generated to examine the validity of the network, and the stress-strain-volumetric curves for both cases were well reproduced using this network. Overall, the ANN was found promising in predicting the soil behavior and reducing repetitive simulation work.

Keywords: artificial neural network, discrete element method, soil properties, stress-strain-volumetric response

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Authors: Harish Rajak, Preeti Patel

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The application of histone deacetylase inhibitors is a well-known strategy in prevention of cancer which shows acceptable preclinical antitumor activity due to its ability of growth inhibition and apoptosis induction of cancer cell. Molecular docking were performed using Histone Deacetylase protein (PDB ID:1t69) and prepared series of hydroxamic acid based HDACIs. On the basis of docking study, it was predicted that compound 1 has significant binding interaction with HDAC protein and three hydrogen bond interactions takes place, which are essential for antitumor activity. On docking, most of the compounds exhibited better glide score values between -8 to -10 which is close to the glide score value of suberoylanilide hydroxamic acid. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. The 3D-QSAR models provided a good correlation between predicted and actual anticancer activity. Best QSAR model showed Q2 (0.7974), R2 (0.9200) and standard deviation (0.2308). QSAR visualization maps suggest that hydrogen bond acceptor groups at carbonyl group of cap region and hydrophobic groups at ortho, meta, para position of R9 were favorable for HDAC inhibitory activity. We established structure activity correlation using docking, pharmacophore modeling and atom based 3D QSAR model for hydroxamic acid based HDACIs.

Keywords: HDACIs, QSAR, e-pharmacophore, docking, suberoylanilide hydroxamic acid

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Authors: Sina Saadati

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OpenSim is a well-known software in biomechanical studies. There are worthy algorithms developed in this program which are used for modeling and simulation of human motions. In this research, we analyze the OpenSim application from the computer science perspective. It is important that every application have a user-friendly interface. An effective user interface can decrease the time, costs, and energy needed to learn how to use a program. In this paper, we survey the user interface of OpenSim as an important factor of the software. Finally, we infer that there are many challenges to be addressed in the development of OpenSim.

Keywords: biomechanics, computer engineering, graphical user interface, modeling and simulation, interface effectiveness

Procedia PDF Downloads 95

Authors: Mojtaba Zabihi, Stephen Munro, Jonathan Little, Ri Li, Joshua Brinkerhoff, Sina Kheirkhah

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Occupational Safety and Health Administration (OSHA) identified dental workers at the highest risk of contracting COVID-19. This is because aerosol-generating procedures (AGP) during dental practices generate aerosols ( < 5µm) and droplets. These particles travel at varying speeds, in varying directions, and for varying durations. If these particles bear infectious viruses, their spreading causes airborne transmission of the virus in the dental room, exposing dentists, hygienists, dental assistants, and even other dental clinic clients to the infection risk. Computational fluid dynamics (CFD) simulation of two-phase flows based on a discrete phase model (DPM) is carried out to study the spreading of aerosol and droplets in a dental room. The simulation includes momentum, heat, and mass transfers between the particles and the airflow. Two simulations are conducted and compared. One simulation focuses on the effects of room ventilation in winter and summer on the particles' travel. The other simulation focuses on the control of aerosol and droplets' spreading. A suction collector is added near the source of aerosol and droplets, creating a flow sink in order to remove the particles. The effects of the suction flow on the aerosol and droplet travel are studied. The suction flow can remove aerosols and also reduce the spreading of droplets.

Keywords: aerosols, computational fluid dynamics, COVID-19, dental, discrete phase model, droplets, two-phase flow

Procedia PDF Downloads 265

Authors: M. Khaled Abduesslam, Mohammed Ali, Basher H. Alsdai, Muhammad Nizam Inayati

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This paper presents the voltage problem location classification using performance of Least Squares Support Vector Machine (LS-SVM) and Learning Vector Quantization (LVQ) in electrical power system for proper voltage problem location implemented by IEEE 39 bus New-England. The data was collected from the time domain simulation by using Power System Analysis Toolbox (PSAT). Outputs from simulation data such as voltage, phase angle, real power and reactive power were taken as input to estimate voltage stability at particular buses based on Power Transfer Stability Index (PTSI).The simulation data was carried out on the IEEE 39 bus test system by considering load bus increased on the system. To verify of the proposed LS-SVM its performance was compared to Learning Vector Quantization (LVQ). The results showed that LS-SVM is faster and better as compared to LVQ. The results also demonstrated that the LS-SVM was estimated by 0% misclassification whereas LVQ had 7.69% misclassification.

Keywords: IEEE 39 bus, least squares support vector machine, learning vector quantization, voltage collapse

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Authors: Akram Rasheed

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Background: Simulation in the health care field has been increasingly used over the last years in the training of resuscitation and life support practices. It has shown the advantage of improving the decision-making and technical skills through deliberate practice and return demonstration. Local Problem: This article reports on the integration of simulation-based training (SBT) in the training program about proper team dynamics and leadership skills during cardiopulmonary resuscitation (CPR) in the intensive care unit (ICU). Method and Intervention: Training of 180 critical care nurses was conducted using SBT between 1st January and 30th 2020. We had conducted 15 workshops, with the integration of SBT using high fidelity manikins and using demonstration and return-demonstration approach to train the nursing staff about proper team dynamics and leadership skills during CPR. Results: After completing the SBT session, all 180 nurses completed the evaluation form. The majority of evaluation items were rated over 95% for the effectiveness of the education; four items were less than 95% (88–94%). Lower rated items considered training and practice time, improved competency, and commitment to apply to learn. The team dynamics SBT was evaluated as an effective means to improve team dynamics and leadership skills during CPR in the intensive care unit (ICU). Conclusion: The use of simulation-based training to improve team dynamics and leadership skills is an effective method for better patient management during CPR. Besides skills competency, closed-loop communication, clear messages, clear roles, and assignments, knowing one’s limitations, knowledge sharing, constructive interventions, re-evaluating and summarizing, and mutual respect are all important concepts that should be considered during team dynamics training. However, participants reported the need for a repeated practice opportunity to build competency.

Keywords: cardiopulmonary resuscitation, high fidelity manikins, simulation-based training, team dynamics

Procedia PDF Downloads 142

Authors: Ana-Maria Gheldiu, Bianca M. Abrudan, Maria A. Neag, Laurian Vlase, Dana M. Muntean

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Background information: The objective of this study was to investigate the effect of multiple-dose fluvoxamine on the pharmacokinetic profile of single-dose carvedilol in rats, in order to evaluate this possible drug-drug pharmacokinetic interaction. Methods: A preclinical study, in 28 white male Wistar rats, was conducted. Each rat was cannulated on the femoral vein, prior to being connected to BASi Culex ABC®. Carvedilol was orally administrated in rats (3.57 mg/kg body mass (b.m.)) in the absence of fluvoxamine or after a pre-treatment with multiple oral doses of fluvoxamine (14.28 mg/kg b.m.). The plasma concentrations of carvedilol were estimated by high performance liquid chromatography-tandem mass spectrometry. The pharmacokinetic parameters of carvedilol were analyzed by non-compartmental method. Results: After carvediol co-administration with fluvoxamine, an approximately 2-fold increase in the exposure of carvedilol was observed, considering the significantly elevated value of the total area under the concentration versus time curve (AUC₀₋∞). Moreover, an increase by approximately 145% of the peak plasma concentration was found, as well as an augmentation by approximately 230% of the half life time of carvedilol was observed. Conclusion: Fluvoxamine co-administration led to a significant alteration of carvedilol’s pharmacokinetic profile in rats, these effects could be explained by the existence of a drug-drug interaction mediated by CYP2D6 inhibition. Acknowledgement: This work was supported by CNCS Romania – project PNII-RU-TE-2014-4-0242.

Keywords: carvedilol, fluvoxamine, drug-drug pharmacokinetic interaction, rats

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Authors: Diego Liberati

Abstract:

Standard molecular modeling is traditionally done through Schroedinger equations via the help of powerful tools helping to manage them atom by atom, often needing High Performance Computing. Here, a full portfolio of new tools, conjugating statistical inference in the so called eXplainable Artificial Intelligence framework (in the form of Machine Learning of understandable rules) to the more traditional modeling and simulation control theory of mixed dynamic logic hybrid processes, is offered as quite a general purpose even if making an example to a popular chemical physics set of problems.

Keywords: understandable rules ML, k-means, PCA, PieceWise Affine Auto Regression with eXogenous input

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Authors: Chinazo Onyeka Eziuzo

Abstract:

This work presents the simulation and control of the flywheel system in the rotor of a wind turbine using Simulink and OpenFAST for assessing the effect on the mechanical loads. This concept allows the flywheel system to serve two main tasks: supporting the power system and mitigating the mechanical loads in the wind turbine. These tasks are grouped into four control scenarios; scenario 1 represents steadying the power infeed in the Flywheel, scenario 2 represents steadying power with FW and grid loss, scenario 3 represents mitigating excitations from gravity, and scenario 4 represents damping in-plane blade vibrations. The s-function of the OpenFAST model was used to substitute the given 1st Eigen mode model of the WT. After that, the simulations were run for the above-listed scenarios. Additionally, the effects of the control options on the mechanical loads were assessed, and it was established that the FW system assists in steadying infeed power and mechanical load mitigation.

Keywords: simulation, control, wind turbine, OpenFAST

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Authors: M. Bakhtaoui, L. Merahi

Abstract:

The reliability of the filtered HVBK model is now investigated via some large eddy simulations of freely decaying isotropic superfluid turbulence. For homogeneous turbulence at very high Reynolds numbers, comparison of the terms in the spectral kinetic energy budget equation indicates, in the energy-containing range, that the production and energy transfer effects become significant except for dissipation. In the inertial range, where the two fluids are perfectly locked, the mutual friction maybe neglected with respect to other terms. Also the LES results for the other terms of the energy balance are presented.

Keywords: superfluid turbulence, HVBK, energy budget, Large Eddy Simulation

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