Search results for: OpenModelica software
3983 Optimal Design of Linear Generator to Recharge the Smartphone Battery
Authors: Jin Ho Kim, Yujeong Shin, Seong-Jin Cho, Dong-Jin Kim, U-Syn Ha
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Due to the development of the information industry and technologies, cellular phones have must not only function to communicate, but also have functions such as the Internet, e-banking, entertainment, etc. These phones are called smartphones. The performance of smartphones has improved, because of the various functions of smartphones, and the capacity of the battery has been increased gradually. Recently, linear generators have been embedded in smartphones in order to recharge the smartphone's battery. In this study, optimization is performed and an array change of permanent magnets is examined in order to increase efficiency. We propose an optimal design using design of experiments (DOE) to maximize the generated induced voltage. The thickness of the poleshoe and permanent magnet (PM), the height of the poleshoe and PM, and the thickness of the coil are determined to be design variables. We made 25 sampling points using an orthogonal array according to four design variables. We performed electromagnetic finite element analysis to predict the generated induced voltage using the commercial electromagnetic analysis software ANSYS Maxwell. Then, we made an approximate model using the Kriging algorithm, and derived optimal values of the design variables using an evolutionary algorithm. The commercial optimization software PIAnO (Process Integration, Automation, and Optimization) was used with these algorithms. The result of the optimization shows that the generated induced voltage is improved.Keywords: smartphone, linear generator, design of experiment, approximate model, optimal design
Procedia PDF Downloads 3443982 Analysis of Advancements in Process Modeling and Reengineering at Fars Regional Electric Company, Iran
Authors: Mohammad Arabi
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Business Process Reengineering (BPR) is a systematic approach to fundamentally redesign organizational processes to achieve significant improvements in organizational performance. At Fars Regional Electric Company, implementing BPR is deemed essential to increase productivity, reduce costs, and improve service quality. This article examines how BPR can help enhance the performance of Fars Regional Electric Company. The objective of this research is to evaluate and analyze the advancements in process modeling and reengineering at Fars Regional Electric Company and to provide solutions for improving the productivity and efficiency of organizational processes. This study aims to demonstrate how BPR can be used to improve organizational processes and enhance the overall performance of the company. This research employs both qualitative and quantitative research methods and includes interviews with senior managers and experts at Fars Regional Electric Company. The analytical tools include process modeling software such as Bizagi and ARIS, and statistical analysis software such as SPSS and Minitab. Data analysis was conducted using advanced statistical methods. The results indicate that the use of BPR techniques can lead to a significant reduction in process execution time and overall improvement in quality. Implementing BPR at Fars Regional Electric Company has led to increased productivity, reduced costs, and improved overall performance of the company. This study shows that with proper implementation of BPR and the use of modeling tools, the company can achieve significant improvements in its processes. Recommendations: (1) Continuous Training for Staff: Invest in continuous training of staff to enhance their skills and knowledge in BPR. (2) Use of Advanced Technologies: Utilize modeling and analysis software to improve processes. (3) Implementation of Effective Management Systems: Employ knowledge and information management systems to enhance organizational performance. (4) Continuous Monitoring and Review of Processes: Regularly review and revise processes to ensure ongoing improvements. This article highlights the importance of improving organizational processes at Fars Regional Electric Company and recommends that managers and decision-makers at the company seriously consider reengineering processes and utilizing modeling technologies to achieve developmental goals and continuous improvement.Keywords: business process reengineering, electric company, Fars province, process modeling advancements
Procedia PDF Downloads 473981 Analysys of Some Solutions to Protect the Tombolo of Giens
Authors: Yves Lacroix, Van Van Than, Didier Léandri, Pierre Liardet
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The western Tombolo of the Giens peninsula in southern France, known as Almanarre beach, is subject to coastal erosion. We are trying to use computer simulation in order to propose solutions to stop this erosion. Our aim was first to determine the main factors for this erosion and successfully apply a coupled hydro-sedimentological numerical model based on observations and measurements that have been performed on the site for decades. We have gathered all available information and data about waves, winds, currents, tides, bathymetry, coastal line, and sediments concerning the site. These have been divided into two sets: one devoted to calibrating a numerical model using Mike 21 software, the other to serve as a reference in order to numerically compare the present situation to what it could be if we implemented different types of underwater constructions. This paper presents the first part of the study: selecting and melting different sources into a coherent data basis, identifying the main erosion factors, and calibrating the coupled software model against the selected reference period. Our results bring calibration of the numerical model with good fitting coefficients. They also show that the winter South-Western storm events conjugated to depressive weather conditions constitute a major factor of erosion, mainly due to wave impact in the northern part of the Almanarre beach. Together, current and wind impact is shown negligible.Keywords: Almanarre beach, coastal erosion, hydro-sedimentological, numerical model
Procedia PDF Downloads 3183980 Cryptocurrency Forensics: Analysis on Bitcoin E-Wallet from Computer Source Evidence
Authors: Muhammad Nooraiman bin Noorashid, Mohd Sharizuan bin Mohd Omar, Mohd Zabri Adil bin Talib, Aswami Fadillah bin Mohd Ariffin
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Nowadays cryptocurrency has become a global phenomenon known to most people. People using this alternative digital money to do a transaction in many ways (e.g. Used for online shopping, wealth management, and fundraising). However, this digital asset also widely used in criminal activities since its use decentralized control as opposed to centralized electronic money and central banking systems and this makes a user, who used this currency invisible. The high-value exchange of these digital currencies also has been a target to criminal activities. The cryptocurrency crimes have become a challenge for the law enforcement to analyze and to proof the evidence as criminal devices. In this paper, our focus is more on bitcoin cryptocurrency and the possible artifacts that can be obtained from the different type of digital wallet, which is software and browser-based application. The process memory and physical hard disk are examined with the aims of identifying and recovering potential digital evidence. The stage of data acquisition divided by three states which are the initial creation of the wallet, transaction that consists transfer and receiving a coin and the last state is after the wallet is being deleted. Findings from this study suggest that both data from software and browser type of wallet process memory is a valuable source of evidence, and many of the artifacts found in process memory are also available from the application and wallet files on the client computer storage.Keywords: cryptocurrency, bitcoin, digital wallet, digital forensics
Procedia PDF Downloads 3393979 On Consolidated Predictive Model of the Natural History of Breast Cancer Considering Primary Tumor and Primary Distant Metastases Growth
Authors: Ella Tyuryumina, Alexey Neznanov
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Finding algorithms to predict the growth of tumors has piqued the interest of researchers ever since the early days of cancer research. A number of studies were carried out as an attempt to obtain reliable data on the natural history of breast cancer growth. Mathematical modeling can play a very important role in the prognosis of tumor process of breast cancer. However, mathematical models describe primary tumor growth and metastases growth separately. Consequently, we propose a mathematical growth model for primary tumor and primary metastases which may help to improve predicting accuracy of breast cancer progression using an original mathematical model referred to CoM-IV and corresponding software. We are interested in: 1) modelling the whole natural history of primary tumor and primary metastases; 2) developing adequate and precise CoM-IV which reflects relations between PT and MTS; 3) analyzing the CoM-IV scope of application; 4) implementing the model as a software tool. The CoM-IV is based on exponential tumor growth model and consists of a system of determinate nonlinear and linear equations; corresponds to TNM classification. It allows to calculate different growth periods of primary tumor and primary metastases: 1) ‘non-visible period’ for primary tumor; 2) ‘non-visible period’ for primary metastases; 3) ‘visible period’ for primary metastases. The new predictive tool: 1) is a solid foundation to develop future studies of breast cancer models; 2) does not require any expensive diagnostic tests; 3) is the first predictor which makes forecast using only current patient data, the others are based on the additional statistical data. Thus, the CoM-IV model and predictive software: a) detect different growth periods of primary tumor and primary metastases; b) make forecast of the period of primary metastases appearance; c) have higher average prediction accuracy than the other tools; d) can improve forecasts on survival of BC and facilitate optimization of diagnostic tests. The following are calculated by CoM-IV: the number of doublings for ‘nonvisible’ and ‘visible’ growth period of primary metastases; tumor volume doubling time (days) for ‘nonvisible’ and ‘visible’ growth period of primary metastases. The CoM-IV enables, for the first time, to predict the whole natural history of primary tumor and primary metastases growth on each stage (pT1, pT2, pT3, pT4) relying only on primary tumor sizes. Summarizing: a) CoM-IV describes correctly primary tumor and primary distant metastases growth of IV (T1-4N0-3M1) stage with (N1-3) or without regional metastases in lymph nodes (N0); b) facilitates the understanding of the appearance period and manifestation of primary metastases.Keywords: breast cancer, exponential growth model, mathematical modelling, primary metastases, primary tumor, survival
Procedia PDF Downloads 3323978 Numerical Simulation of a Point Absorber Wave Energy Converter Using OpenFOAM in Indian Scenario
Authors: Pooja Verma, Sumana Ghosh
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There is a growing need for alternative way of power generation worldwide. The reason can be attributed to limited resources of fossil fuels, environmental pollution, increasing cost of conventional fuels, and lower efficiency of conversion of energy in existing systems. In this context, one of the potential alternatives for power generation is wave energy. However, it is difficult to estimate the amount of electrical energy generation in an irregular sea condition by experiment and or analytical methods. Therefore in this work, a numerical wave tank is developed using the computational fluid dynamics software Open FOAM. In this software a specific utility known as waves2Foam utility is being used to carry out the simulation work. The computational domain is a tank of dimension: 5m*1.5m*1m with a floating object of dimension: 0.5m*0.2m*0.2m. Regular waves are generated at the inlet of the wave tank according to Stokes second order theory. The main objective of the present study is to validate the numerical model against existing experimental data. It shows a good matching with the existing experimental data of floater displacement. Later the model is exploited to estimate energy extraction due to the movement of such a point absorber in real sea conditions. Scale down the wave properties like wave height, wave length, etc. are used as input parameters. Seasonal variations are also considered.Keywords: OpenFOAM, numerical wave tank, regular waves, floating object, point absorber
Procedia PDF Downloads 3523977 The Effect of Tool Path Strategy on Surface and Dimension in High Speed Milling
Authors: A. Razavykia, A. Esmaeilzadeh, S. Iranmanesh
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Many orthopedic implants like proximal humerus cases require lower surface roughness and almost immediate/short lead time surgery. Thus, rapid response from the manufacturer is very crucial. Tool path strategy of milling process has a direct influence on the surface roughness and lead time of medical implant. High-speed milling as promised process would improve the machined surface quality, but conventional or super-abrasive grinding still required which imposes some drawbacks such as additional costs and time. Currently, many CAD/CAM software offers some different tool path strategies to milling free form surfaces. Nevertheless, the users must identify how to choose the strategies according to cutting tool geometry, geometry complexity, and their effects on the machined surface. This study investigates the effect of different tool path strategies for milling a proximal humerus head during finishing operation on stainless steel 316L. Experiments have been performed using MAHO MH700 S vertical milling machine and four machining strategies, namely, spiral outward, spiral inward, and radial as well as zig-zag. In all cases, the obtained surfaces were analyzed in terms of roughness and dimension accuracy compared with those obtained by simulation. The findings provide evidence that surface roughness, dimensional accuracy, and machining time have been affected by the considered tool path strategy.Keywords: CAD/CAM software, milling, orthopedic implants, tool path strategy
Procedia PDF Downloads 2113976 Application of GPRS in Water Quality Monitoring System
Authors: V. Ayishwarya Bharathi, S. M. Hasker, J. Indhu, M. Mohamed Azarudeen, G. Gowthami, R. Vinoth Rajan, N. Vijayarangan
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Identification of water quality conditions in a river system based on limited observations is an essential task for meeting the goals of environmental management. The traditional method of water quality testing is to collect samples manually and then send to laboratory for analysis. However, it has been unable to meet the demands of water quality monitoring today. So a set of automatic measurement and reporting system of water quality has been developed. In this project specifies Water quality parameters collected by multi-parameter water quality probe are transmitted to data processing and monitoring center through GPRS wireless communication network of mobile. The multi parameter sensor is directly placed above the water level. The monitoring center consists of GPRS and micro-controller which monitor the data. The collected data can be monitor at any instant of time. In the pollution control board they will monitor the water quality sensor data in computer using Visual Basic Software. The system collects, transmits and processes water quality parameters automatically, so production efficiency and economy benefit are improved greatly. GPRS technology can achieve well within the complex environment of poor water quality non-monitored, and more specifically applicable to the collection point, data transmission automatically generate the field of water analysis equipment data transmission and monitoring.Keywords: multiparameter sensor, GPRS, visual basic software, RS232
Procedia PDF Downloads 4103975 Design and Modeling of a Green Building Energy Efficient System
Authors: Berhane Gebreslassie
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Conventional commericial buildings are among the highest unwisely consumes enormous amount of energy and as consequence produce significant amount Carbon Dioxide (CO2). Traditional/conventional buildings have been built for years without consideration being given to their impact on the global warming issues as well as their CO2 contributions. Since 1973, simulation of Green Building (GB) for Energy Efficiency started and many countries in particular the US showed a positive response to minimize the usage of energy in respect to reducing the CO2 emission. As a consequence many software companies developed their own unique building energy efficiency simulation software, interfacing interoperability with Building Information Modeling (BIM). The last decade has witnessed very rapid growing number of researches on GB energy efficiency system. However, the study also indicates that the results of current GB simulation are not yet satisfactory to meet the objectives of GB. In addition most of these previous studies are unlikely excluded the studies of ultimate building energy efficiencies simulation. The aim of this project is to meet the objectives of GB by design, modeling and simulation of building ultimate energy efficiencies system. This research project presents multi-level, L-shape office building in which every particular part of the building materials has been tested for energy efficiency. An overall of 78.62% energy is saved, approaching to NetZero energy saving. Furthermore, the building is implements with distributed energy resources like renewable energies and integrating with Smart Building Automation System (SBAS) for controlling and monitoring energy usage.Keywords: ultimate energy saving, optimum energy saving, green building, sustainable materials and renewable energy
Procedia PDF Downloads 2733974 Orbit Determination Modeling with Graphical Demonstration
Authors: Assem M. F. Sallam, Ah. El-S. Makled
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In this paper, there is an implementation, verification, and graphical demonstration of a software application, which can be used swiftly over different preliminary orbit determination methods. A passive orbit determination method is used in this study to determine the location of a satellite or a flying body. It is named a passive orbit determination because it depends on observation without the use of any aids (radio and laser) installed on satellite. In order to understand how these methods work and how their output is accurate when compared with available verification data, the built models help in knowing the different inputs used with each method. Output from the different orbit determination methods (Gibbs, Lambert, and Gauss) will be compared with each other and verified by the data obtained from Satellite Tool Kit (STK) application. A modified model including all of the orbit determination methods using the same input will be introduced to investigate different models output (orbital parameters) for the same input (azimuth, elevation, and time). Simulation software is implemented using MATLAB. A Graphical User Interface (GUI) application named OrDet is produced using the GUI of MATLAB. It includes all the available used inputs and it outputs the current Classical Orbital Elements (COE) of satellite under observation. Produced COE are then used to propagate for a complete revolution and plotted on a 3-D view. Modified model which uses an adapter to allow same input parameters, passes these parameters to the preliminary orbit determination methods under study. Result from all orbit determination methods yield exactly the same COE output, which shows the equality of concept in determination of satellite’s location, but with different numerical methods.Keywords: orbit determination, STK, Matlab-GUI, satellite tracking
Procedia PDF Downloads 2763973 Concept of Using an Indicator to Describe the Quality of Fit of Clothing to the Body Using a 3D Scanner and CAD System
Authors: Monika Balach, Iwona Frydrych, Agnieszka Cichocka
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The objective of this research is to develop an algorithm, taking into account material type and body type that will describe the fabric properties and quality of fit of a garment to the body. One of the objectives of this research is to develop a new algorithm to simulate cloth draping within CAD/CAM software. Existing virtual fitting does not accurately simulate fabric draping behaviour. Part of the research into virtual fitting will focus on the mechanical properties of fabrics. Material behaviour depends on many factors including fibre, yarn, manufacturing process, fabric weight, textile finish, etc. For this study, several different fabric types with very different mechanical properties will be selected and evaluated for all of the above fabric characteristics. These fabrics include woven thick cotton fabric which is stiff and non-bending, woven with elastic content, which is elastic and bends on the body. Within the virtual simulation, the following mechanical properties can be specified: shear, bending, weight, thickness, and friction. To help calculate these properties, the KES system (Kawabata) can be used. This system was originally developed to calculate the mechanical properties of fabric. In this research, the author will focus on three properties: bending, shear, and roughness. This study will consider current research using the KES system to understand and simulate fabric folding on the virtual body. Testing will help to determine which material properties have the largest impact on the fit of the garment. By developing an algorithm which factors in body type, material type, and clothing function, it will be possible to determine how a specific type of clothing made from a particular type of material will fit on a specific body shape and size. A fit indicator will display areas of stress on the garment such as shoulders, chest waist, hips. From this data, CAD/CAM software can be used to develop garments that fit with a very high degree of accuracy. This research, therefore, aims to provide an innovative solution for garment fitting which will aid in the manufacture of clothing. This research will help the clothing industry by cutting the cost of the clothing manufacturing process and also reduce the cost spent on fitting. The manufacturing process can be made more efficient by virtual fitting of the garment before the real clothing sample is made. Fitting software could be integrated into clothing retailer websites allowing customers to enter their biometric data and determine how the particular garment and material type would fit their body.Keywords: 3D scanning, fabric mechanical properties, quality of fit, virtual fitting
Procedia PDF Downloads 1783972 ReactorDesign App: An Interactive Software for Self-Directed Explorative Learning
Authors: Chia Wei Lim, Ning Yan
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The subject of reactor design, dealing with the transformation of chemical feedstocks into more valuable products, constitutes the central idea of chemical engineering. Despite its importance, the way it is taught to chemical engineering undergraduates has stayed virtually the same over the past several decades, even as the chemical industry increasingly leans towards the use of software for the design and daily monitoring of chemical plants. As such, there has been a widening learning gap as chemical engineering graduates transition from university to the industry since they are not exposed to effective platforms that relate the fundamental concepts taught during lectures to industrial applications. While the success of technology enhanced learning (TEL) has been demonstrated in various chemical engineering subjects, TELs in the teaching of reactor design appears to focus on the simulation of reactor processes, as opposed to arguably more important ideas such as the selection and optimization of reactor configuration for different types of reactions. This presents an opportunity for us to utilize the readily available easy-to-use MATLAB App platform to create an educational tool to aid the learning of fundamental concepts of reactor design and to link these concepts to the industrial context. Here, interactive software for the learning of reactor design has been developed to narrow the learning gap experienced by chemical engineering undergraduates. Dubbed the ReactorDesign App, it enables students to design reactors involving complex design equations for industrial applications without being overly focused on the tedious mathematical steps. With the aid of extensive visualization features, the concepts covered during lectures are explicitly utilized, allowing students to understand how these fundamental concepts are applied in the industrial context and equipping them for their careers. In addition, the software leverages the easily accessible MATLAB App platform to encourage self-directed learning. It is useful for reinforcing concepts taught, complementing homework assignments, and aiding exam revision. Accordingly, students are able to identify any lapses in understanding and clarify them accordingly. In terms of the topics covered, the app incorporates the design of different types of isothermal and non-isothermal reactors, in line with the lecture content and industrial relevance. The main features include the design of single reactors, such as batch reactors (BR), continuously stirred tank reactors (CSTR), plug flow reactors (PFR), and recycle reactors (RR), as well as multiple reactors consisting of any combination of ideal reactors. A version of the app, together with some guiding questions to aid explorative learning, was released to the undergraduates taking the reactor design module. A survey was conducted to assess its effectiveness, and an overwhelmingly positive response was received, with 89% of the respondents agreeing or strongly agreeing that the app has “helped [them] with understanding the unit” and 87% of the respondents agreeing or strongly agreeing that the app “offers learning flexibility”, compared to the conventional lecture-tutorial learning framework. In conclusion, the interactive ReactorDesign App has been developed to encourage self-directed explorative learning of the subject and demonstrate the industrial applications of the taught design concepts.Keywords: explorative learning, reactor design, self-directed learning, technology enhanced learning
Procedia PDF Downloads 913971 Analysis of a Coupled Hydro-Sedimentological Numerical Model for the Western Tombolo of Giens
Authors: Yves Lacroix, Van Van Than, Didier Léandri, Pierre Liardet
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The western Tombolo of the Giens peninsula in southern France, known as Almanarre beach, is subject to coastal erosion. We are trying to use computer simulation in order to propose solutions to stop this erosion. Our aim was first to determine the main factors for this erosion and successfully apply a coupled hydro-sedimentological numerical model based on observations and measurements that have been performed on the site for decades. We have gathered all available information and data about waves, winds, currents, tides, bathymetry, coastal line, and sediments concerning the site. These have been divided into two sets: one devoted to calibrating a numerical model using Mike 21 software, the other to serve as a reference in order to numerically compare the present situation to what it could be if we implemented different types of underwater constructions. This paper presents the first part of the study: selecting and melting different sources into a coherent data basis, identifying the main erosion factors, and calibrating the coupled software model against the selected reference period. Our results bring calibration of the numerical model with good fitting coefficients. They also show that the winter South-Western storm events conjugated to depressive weather conditions constitute a major factor of erosion, mainly due to wave impact in the northern part of the Almanarre beach. Together, current and wind impact is shown negligible.Keywords: Almanarre beach, coastal erosion, hydro-sedimentological, numerical model
Procedia PDF Downloads 3753970 Fuzzy Expert Approach for Risk Mitigation on Functional Urban Areas Affected by Anthropogenic Ground Movements
Authors: Agnieszka A. Malinowska, R. Hejmanowski
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A number of European cities are strongly affected by ground movements caused by anthropogenic activities or post-anthropogenic metamorphosis. Those are mainly water pumping, current mining operation, the collapse of post-mining underground voids or mining-induced earthquakes. These activities lead to large and small-scale ground displacements and a ground ruptures. The ground movements occurring in urban areas could considerably affect stability and safety of structures and infrastructures. The complexity of the ground deformation phenomenon in relation to the structures and infrastructures vulnerability leads to considerable constraints in assessing the threat of those objects. However, the increase of access to the free software and satellite data could pave the way for developing new methods and strategies for environmental risk mitigation and management. Open source geographical information systems (OS GIS), may support data integration, management, and risk analysis. Lately, developed methods based on fuzzy logic and experts methods for buildings and infrastructure damage risk assessment could be integrated into OS GIS. Those methods were verified base on back analysis proving their accuracy. Moreover, those methods could be supported by ground displacement observation. Based on freely available data from European Space Agency and free software, ground deformation could be estimated. The main innovation presented in the paper is the application of open source software (OS GIS) for integration developed models and assessment of the threat of urban areas. Those approaches will be reinforced by analysis of ground movement based on free satellite data. Those data would support the verification of ground movement prediction models. Moreover, satellite data will enable our mapping of ground deformation in urbanized areas. Developed models and methods have been implemented in one of the urban areas hazarded by underground mining activity. Vulnerability maps supported by satellite ground movement observation would mitigate the hazards of land displacements in urban areas close to mines.Keywords: fuzzy logic, open source geographic information science (OS GIS), risk assessment on urbanized areas, satellite interferometry (InSAR)
Procedia PDF Downloads 1593969 Clinical Impact of Ultra-Deep Versus Sanger Sequencing Detection of Minority Mutations on the HIV-1 Drug Resistance Genotype Interpretations after Virological Failure
Authors: S. Mohamed, D. Gonzalez, C. Sayada, P. Halfon
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Drug resistance mutations are routinely detected using standard Sanger sequencing, which does not detect minor variants with a frequency below 20%. The impact of detecting minor variants generated by ultra-deep sequencing (UDS) on HIV drug-resistance (DR) interpretations has not yet been studied. Fifty HIV-1 patients who experienced virological failure were included in this retrospective study. The HIV-1 UDS protocol allowed the detection and quantification of HIV-1 protease and reverse transcriptase variants related to genotypes A, B, C, E, F, and G. DeepChek®-HIV simplified DR interpretation software was used to compare Sanger sequencing and UDS. The total time required for the UDS protocol was found to be approximately three times longer than Sanger sequencing with equivalent reagent costs. UDS detected all of the mutations found by population sequencing and identified additional resistance variants in all patients. An analysis of DR revealed a total of 643 and 224 clinically relevant mutations by UDS and Sanger sequencing, respectively. Three resistance mutations with > 20% prevalence were detected solely by UDS: A98S (23%), E138A (21%) and V179I (25%). A significant difference in the DR interpretations for 19 antiretroviral drugs was observed between the UDS and Sanger sequencing methods. Y181C and T215Y were the most frequent mutations associated with interpretation differences. A combination of UDS and DeepChek® software for the interpretation of DR results would help clinicians provide suitable treatments. A cut-off of 1% allowed a better characterisation of the viral population by identifying additional resistance mutations and improving the DR interpretation.Keywords: HIV-1, ultra-deep sequencing, Sanger sequencing, drug resistance
Procedia PDF Downloads 3333968 Finite Element Modeling of Two-Phase Microstructure during Metal Cutting
Authors: Junior Nomani
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This paper presents a novel approach to modelling the metal cutting of duplex stainless steels, a two-phase alloy regarded as a difficult-to-machine material. Calculation and control of shear strain and stresses during cutting are essential to achievement of ideal cutting conditions. Too low or too high leads to higher required cutting force or excessive heat generation causing premature tool wear failure. A 2D finite element cutting model was created based on electron backscatter diffraction (EBSD) data imagery of duplex microstructure. A mesh was generated using ‘object-oriented’ software OOF2 version V2.1.11, converting microstructural images to quadrilateral elements. A virtual workpiece was created on ABAQUS modelling software where a rigid body toolpiece advanced towards workpiece simulating chip formation, generating serrated edge chip formation cutting. Model results found calculated stress strain contour plots correlated well with similar finite element models tied with austenite stainless steel alloys. Virtual chip form profile is also similar compared experimental frozen machining chip samples. The output model data provides new insight description of strain behavior of two phase material on how it transitions from workpiece into the chip.Keywords: Duplex stainless steel, ABAQUS, OOF2, Chip formation
Procedia PDF Downloads 983967 A Qualitative Study of Health-Related Beliefs and Practices among Vegetarians
Authors: Lorena Antonovici, Maria Nicoleta Turliuc
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The process of becoming a vegetarian involves changes in several life aspects, including health. Despite its relevance, however, little research has been carried out to analyze vegetarians' self-perceived health, and even less empirical attention has received in the Romanian population. This study aimed to assess health-related beliefs and practices among vegetarian adults in a Romanian sample. We have undertaken 20 semi-structured interviews (10 males, 10 females) based on a snowball sample with a mean age of 31 years. The interview guide was divided into three sections: causes of adopting the diet, general aspects (beliefs, practices, tensions, and conflicts) and consequences of adopting the diet (significant changes, positive aspects, and difficulties, physical and mental health). Additional anamnestic data were reported by means of a questionnaire. Data analyses were performed using Tropes text analysis software (v. 8.2) and SPSS software (v. 24.0.) Findings showed that most of the participants considered a vegetarian diet as a natural and healthy choice as opposed to meat-eating, which is not healthy, and its consumption should be moderated among omnivores. A higher proportion of participants (65%) had an average body mass index (BMI), and several women even assumed having certain affections that no longer occur after following a vegetarian diet. Moreover, participants admitted having better moods and mental health status, given their self-contentment with the dietary choice. Relatives were perceived as more skeptical about their practices than others, and especially women had this view. This study provides a valuable insight into health-related beliefs and practices and how a vegetarian diet might interact.Keywords: beliefs, health, practices, vegetarians
Procedia PDF Downloads 1243966 Stress Concentration Trend for Combined Loading Conditions
Authors: Aderet M. Pantierer, Shmuel Pantierer, Raphael Cordina, Yougashwar Budhoo
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Stress concentration occurs when there is an abrupt change in geometry, a mechanical part under loading. These changes in geometry can include holes, notches, or cracks within the component. The modifications create larger stress within the part. This maximum stress is difficult to determine, as it is directly at the point of the minimum area. Strain gauges have yet to be developed to analyze stresses at such minute areas. Therefore, a stress concentration factor must be utilized. The stress concentration factor is a dimensionless parameter calculated solely on the geometry of a part. The factor is multiplied by the nominal, or average, stress of the component, which can be found analytically or experimentally. Stress concentration graphs exist for common loading conditions and geometrical configurations to aid in the determination of the maximum stress a part can withstand. These graphs were developed from historical data yielded from experimentation. This project seeks to verify a stress concentration graph for combined loading conditions. The aforementioned graph was developed using CATIA Finite Element Analysis software. The results of this analysis will be validated through further testing. The 3D modeled parts will be subjected to further finite element analysis using Patran-Nastran software. The finite element models will then be verified by testing physical specimen using a tensile testing machine. Once the data is validated, the unique stress concentration graph will be submitted for publication so it can aid engineers in future projects.Keywords: stress concentration, finite element analysis, finite element models, combined loading
Procedia PDF Downloads 4423965 Developing a Driving Simulator with a Navigation System to Measure Driver Distraction, Workload, Driving Safety and Performance
Authors: Tamer E. Yared
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The use of driving simulators has made laboratory testing easier. It has been proven to be valid for testing driving ability by many researchers. One benefit of using driving simulators is keeping the human subjects away from traffic hazards, which drivers usually face in a real driving environment while performing a driving experiment. In this study, a driving simulator was developed with a navigation system using a game development software (Unity 3D) and C-sharp codes to measure and evaluate driving performance, safety, and workload for different driving tasks. The driving simulator hardware included a gaming steering wheel and pedals as well as a monitor to view the driving tasks. Moreover, driver distraction was evaluated by utilizing an eye-tracking system working in conjunction with the driving simulator. Twenty subjects were recruited to evaluate driver distraction, workload, driving safety, and performance, as well as provide their feedback about the driving simulator. The subjects’ feedback was obtained by filling a survey after conducting several driving tasks. The main question of that survey was asking the subjects to compare driving on the driving simulator with real driving. Furthermore, other aspects of the driving simulator were evaluated by the subjects in the survey. The survey revealed that the recruited subjects gave an average score of 7.5 out of 10 to the driving simulator when compared to real driving, where the scores ranged between 6 and 8.5. This study is a preliminary effort that opens the door for more improvements to the driving simulator in terms of hardware and software development, which will contribute significantly to driving ability testing.Keywords: driver distraction, driving performance, driving safety, driving simulator, driving workload, navigation system
Procedia PDF Downloads 1743964 Relationship between Right Brain and Left Brain Dominance and Intonation Learning
Authors: Mohammad Hadi Mahmoodi, Soroor Zekrati
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The aim of this study was to investigate the relationship between hemispheric dominance and intonation learning of Iranian EFL students. In order to gain this goal, 52 female students from three levels of beginner, elementary and intermediate in Paradise Institute, and 18 male university students at Bu-Ali Sina University constituted the sample. In order to assist students learn the correct way of applying intonation to their everyday speech, the study proposed an interactive approach and provided students with visual aid through which they were able to see the intonation pattern on computer screen using 'Speech Analyzer' software. This software was also used to record subjects’ voice and compare them with the original intonation pattern. Edinburg Handedness Questionnaire (EHD), which ranges from –100 for strong left-handedness to +100 for strong right-handedness was used to indicate the hemispheric dominance of each student. The result of an independent sample t-test indicated that girls learned intonation pattern better than boys, and that right brained students significantly outperformed the left brained ones. Using one-way ANOVA, a significant difference between three proficiency levels was also found. The posthoc Scheffer test showed that the exact difference was between intermediate and elementary, and intermediate and beginner levels, but no significant difference was observed between elementary and beginner levels. The findings of the study might provide researchers with some helpful implications and useful directions for future investigation into the domain of the relationship between mind and second language learning.Keywords: intonation, hemispheric dominance, visual aid, language learning, second language learning
Procedia PDF Downloads 5183963 Knowledge Based Software Model for the Management and Treatment of Malaria Patients: A Case of Kalisizo General Hospital
Authors: Mbonigaba Swale
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Malaria is an infection or disease caused by parasites (Plasmodium Falciparum — causes severe Malaria, plasmodium Vivax, Plasmodium Ovale, and Plasmodium Malariae), transmitted by bites of infected anopheles (female) mosquitoes to humans. These vectors comprise of two types in Africa, particularly in Uganda, i.e. anopheles fenestus and Anopheles gambaie (‘example Anopheles arabiensis,,); feeds on man inside the house mainly at dusk, mid-night and dawn and rests indoors and makes them effective transmitters (vectors) of the disease. People in both urban and rural areas have consistently become prone to repetitive attacks of malaria, causing a lot of deaths and significantly increasing the poverty levels of the rural poor. Malaria is a national problem; it causes a lot of maternal pre-natal and antenatal disorders, anemia in pregnant mothers, low birth weights for the newly born, convulsions and epilepsy among the infants. Cumulatively, it kills about one million children every year in sub-Saharan Africa. It has been estimated to account for 25-35% of all outpatient visits, 20-45% of acute hospital admissions and 15-35% of hospital deaths. Uganda is the leading victim country, for which Rakai and Masaka districts are the most affected. So, it is not clear whether these abhorrent situations and episodes of recurrences and failure to cure from the disease are a result of poor diagnosis, prescription and dosing, treatment habits and compliance of the patients to the drugs or the ethical domain of the stake holders in relation to the main stream methodology of malaria management. The research is aimed at offering an alternative approach to manage and deal absolutely with problem by using a knowledge based software model of Artificial Intelligence (Al) that is capable of performing common-sense and cognitive reasoning so as to take decisions like the human brain would do to provide instantaneous expert solutions so as to avoid speculative simulation of the problem during differential diagnosis in the most accurate and literal inferential aspect. This system will assist physicians in many kinds of medical diagnosis, prescribing treatments and doses, and in monitoring patient responses, basing on the body weight and age group of the patient, it will be able to provide instantaneous and timely information options, alternative ways and approaches to influence decision making during case analysis. The computerized system approach, a new model in Uganda termed as “Software Aided Treatment” (SAT) will try to change the moral and ethical approach and influence conduct so as to improve the skills, experience and values (social and ethical) in the administration and management of the disease and drugs (combination therapy and generics) by both the patient and the health worker.Keywords: knowledge based software, management, treatment, diagnosis
Procedia PDF Downloads 543962 A Method and System for Secure Authentication Using One Time QR Code
Authors: Divyans Mahansaria
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User authentication is an important security measure for protecting confidential data and systems. However, the vulnerability while authenticating into a system has significantly increased. Thus, necessary mechanisms must be deployed during the process of authenticating a user to safeguard him/her from the vulnerable attacks. The proposed solution implements a novel authentication mechanism to counter various forms of security breach attacks including phishing, Trojan horse, replay, key logging, Asterisk logging, shoulder surfing, brute force search and others. QR code (Quick Response Code) is a type of matrix barcode or two-dimensional barcode that can be used for storing URLs, text, images and other information. In the proposed solution, during each new authentication request, a QR code is dynamically generated and presented to the user. A piece of generic information is mapped to plurality of elements and stored within the QR code. The mapping of generic information with plurality of elements, randomizes in each new login, and thus the QR code generated for each new authentication request is for one-time use only. In order to authenticate into the system, the user needs to decode the QR code using any QR code decoding software. The QR code decoding software needs to be installed on handheld mobile devices such as smartphones, personal digital assistant (PDA), etc. On decoding the QR code, the user will be presented a mapping between the generic piece of information and plurality of elements using which the user needs to derive cipher secret information corresponding to his/her actual password. Now, in place of the actual password, the user will use this cipher secret information to authenticate into the system. The authentication terminal will receive the cipher secret information and use a validation engine that will decipher the cipher secret information. If the entered secret information is correct, the user will be provided access to the system. Usability study has been carried out on the proposed solution, and the new authentication mechanism was found to be easy to learn and adapt. Mathematical analysis of the time taken to carry out brute force attack on the proposed solution has been carried out. The result of mathematical analysis showed that the solution is almost completely resistant to brute force attack. Today’s standard methods for authentication are subject to a wide variety of software, hardware, and human attacks. The proposed scheme can be very useful in controlling the various types of authentication related attacks especially in a networked computer environment where the use of username and password for authentication is common.Keywords: authentication, QR code, cipher / decipher text, one time password, secret information
Procedia PDF Downloads 2663961 Barriers and Opportunities for Implementing Electronic Prescription Software in Public Libyan Hospitals
Authors: Abdelbaset M. Elghriani, Abdelsalam M. Maatuk, Isam Denna, Amira Abdulla Werfalli
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Electronic prescription software (e-prescribing) benefits patients and physicians by preventing handwriting errors and giving accurate prescriptions. E-prescribing allows prescriptions to be written and sent to pharmacies electronically instead of using handwritten notes. Significant factors that may affect the adoption of e-prescription systems include lacking technical support, financial resources to operate the systems, and change resistance from some clinicians, which have been identified as barriers to the implementation of e-prescription systems. This study aims to explore the trends and opinions of physicians and pharmacists about e-prescriptions and to identify the obstacles and benefits of the application of e-prescriptions in the health care system. A cross-sectional descriptive study was conducted at three Libyan public hospitals. Data were collected through a self-constructed questionnaire to assess the opinions regarding potential constraining factors and benefits of implementing an e-prescribing system in hospitals. Data presented as mean, frequency distribution table, cross-tabulation, and bar charts. Data analysis was performed, and the results show that technical, financial, and organizational obstacles are the most important obstacles that prevent the application of e-prescribing systems in Libyan hospitals. In addition, there was awareness of the benefits of e-prescribing, especially reducing medication dispensing errors, and a desire of physicians and pharmacists to use electronic prescriptions.Keywords: physicians, e-prescribing, health care system, pharmacists
Procedia PDF Downloads 1263960 Automated User Story Driven Approach for Web-Based Functional Testing
Authors: Mahawish Masud, Muhammad Iqbal, M. U. Khan, Farooque Azam
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Manual writing of test cases from functional requirements is a time-consuming task. Such test cases are not only difficult to write but are also challenging to maintain. Test cases can be drawn from the functional requirements that are expressed in natural language. However, manual test case generation is inefficient and subject to errors. In this paper, we have presented a systematic procedure that could automatically derive test cases from user stories. The user stories are specified in a restricted natural language using a well-defined template. We have also presented a detailed methodology for writing our test ready user stories. Our tool “Test-o-Matic” automatically generates the test cases by processing the restricted user stories. The generated test cases are executed by using open source Selenium IDE. We evaluate our approach on a case study, which is an open source web based application. Effectiveness of our approach is evaluated by seeding faults in the open source case study using known mutation operators. Results show that the test case generation from restricted user stories is a viable approach for automated testing of web applications.Keywords: automated testing, natural language, restricted user story modeling, software engineering, software testing, test case specification, transformation and automation, user story, web application testing
Procedia PDF Downloads 3873959 Soil Macronutrients Sensing for Precision Agriculture Purpose Using Fourier Transform Infrared Spectroscopy
Authors: Hossein Navid, Maryam Adeli Khadem, Shahin Oustan, Mahmoud Zareie
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Among the nutrients needed by the plants, three elements containing nitrate, phosphorus and potassium are more important. The objective of this research was measuring these nutrient amounts in soil using Fourier transform infrared spectroscopy in range of 400- 4000 cm-1. Soil samples for different soil types (sandy, clay and loam) were collected from different areas of East Azerbaijan. Three types of fertilizers in conventional farming (urea, triple superphosphate, potassium sulphate) were used for soil treatment. Each specimen was divided into two categories: The first group was used in the laboratory (direct measurement) to extract nitrate, phosphorus and potassium uptake by colorimetric method of Olsen and ammonium acetate. The second group was used to measure drug absorption spectrometry. In spectrometry, the small amount of soil samples mixed with KBr and was taken in a small pill form. For the tests, the pills were put in the center of infrared spectrometer and graphs were obtained. Analysis of data was done using MINITAB and PLSR software. The data obtained from spectrometry method were compared with amount of soil nutrients obtained from direct drug absorption using EXCEL software. There were good fitting between these two data series. For nitrate, phosphorus and potassium R2 was 79.5%, 92.0% and 81.9%, respectively. Also, results showed that the range of MIR (mid-infrared) is appropriate for determine the amount of soil nitrate and potassium and can be used in future research to obtain detailed maps of land in agricultural use.Keywords: nitrate, phosphorus, potassium, soil nutrients, spectroscopy
Procedia PDF Downloads 4013958 Numerical Analysis of NOₓ Emission in Staged Combustion for the Optimization of Once-Through-Steam-Generators
Authors: Adrien Chatel, Ehsan Askari Mahvelati, Laurent Fitschy
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Once-Through-Steam-Generators are commonly used in the oil-sand industry in the heavy fuel oil extraction process. They are composed of three main parts: the burner, the radiant and convective sections. Natural gas is burned through staged diffusive flames stabilized by the burner. The heat generated by the combustion is transferred to the water flowing through the piping system in the radiant and convective sections. The steam produced within the pipes is then directed to the ground to reduce the oil viscosity and allow its pumping. With the rapid development of the oil-sand industry, the number of OTSG in operation has increased as well as the associated emissions of environmental pollutants, especially the Nitrous Oxides (NOₓ). To limit the environmental degradation, various international environmental agencies have established regulations on the pollutant discharge and pushed to reduce the NOₓ release. To meet these constraints, OTSG constructors have to rely on more and more advanced tools to study and predict the NOₓ emission. With the increase of the computational resources, Computational Fluid Dynamics (CFD) has emerged as a flexible tool to analyze the combustion and pollutant formation process. Moreover, to optimize the burner operating condition regarding the NOx emission, field characterization and measurements are usually accomplished. However, these kinds of experimental campaigns are particularly time-consuming and sometimes even impossible for industrial plants with strict operation schedule constraints. Therefore, the application of CFD seems to be more adequate in order to provide guidelines on the NOₓ emission and reduction problem. In the present work, two different software are employed to simulate the combustion process in an OTSG, namely the commercial software ANSYS Fluent and the open source software OpenFOAM. RANS (Reynolds-Averaged Navier–Stokes) equations combined with the Eddy Dissipation Concept to model the combustion and closed by the k-epsilon model are solved. A mesh sensitivity analysis is performed to assess the independence of the solution on the mesh. In the first part, the results given by the two software are compared and confronted with experimental data as a mean to assess the numerical modelling. Flame temperatures and chemical composition are used as reference fields to perform this validation. Results show a fair agreement between experimental and numerical data. In the last part, OpenFOAM is employed to simulate several operating conditions, and an Emission Characteristic Map of the combustion system is generated. The sources of high NOₓ production inside the OTSG are pointed and correlated to the physics of the flow. CFD is, therefore, a useful tool for providing an insight into the NOₓ emission phenomena in OTSG. Sources of high NOₓ production can be identified, and operating conditions can be adjusted accordingly. With the help of RANS simulations, an Emission Characteristics Map can be produced and then be used as a guide for a field tune-up.Keywords: combustion, computational fluid dynamics, nitrous oxides emission, once-through-steam-generators
Procedia PDF Downloads 1113957 The Development of an Automated Computational Workflow to Prioritize Potential Resistance Variants in HIV Integrase Subtype C
Authors: Keaghan Brown
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The prioritization of drug resistance mutations impacting protein folding or protein-drug and protein-DNA interactions within macromolecular systems is critical to the success of treatment regimens. With a continual increase in computational tools to assess these impacts, the need for scalability and reproducibility became an essential component of computational analysis and experimental research. Here it introduce a bioinformatics pipeline that combines several structural analysis tools in a simplified workflow, by optimizing the present computational hardware and software to automatically ease the flow of data transformations. Utilizing preestablished software tools, it was possible to develop a pipeline with a set of pre-defined functions that will automate mutation introduction into the HIV-1 Integrase protein structure, calculate the gain and loss of polar interactions and calculate the change in energy of protein fold. Additionally, an automated molecular dynamics analysis was implemented which reduces the constant need for user input and output management. The resulting pipeline, Automated Mutation Introduction and Analysis (AMIA) is an open source set of scripts designed to introduce and analyse the effects of mutations on the static protein structure as well as the results of the multi-conformational states from molecular dynamic simulations. The workflow allows the user to visualize all outputs in a user friendly manner thereby successfully enabling the prioritization of variant systems for experimental validation.Keywords: automated workflow, variant prioritization, drug resistance, HIV Integrase
Procedia PDF Downloads 753956 Cognitive and Environmental Factors Affecting Graduate Student Perception of Mathematics
Authors: Juanita Morris
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The purpose of this study will examine the mediating relationships between the theories of intelligence, mathematics anxiety, gender stereotype threat, meta-cognition and math performance through the use of eye tracking technology, affecting student perception and problem-solving abilities. The participants will consist of (N=80) female graduate students. Test administered were the Abbreviated Math Anxiety Scale, Tobii Eye Tracking software, gender stereotype threat through Google images, and they will be asked to describe their problem-solving approach allowed to measure metacognition. Participants will be administered mathematics problems while having gender stereotype threat shown to them through online images while being directed to look at the eye tracking software Tobii. We will explore this by asking ‘Is mathematics anxiety associated with the theories of intelligence and gender stereotype threat and how does metacognition and math performance place a role in mediating those perspectives?’. It is hypothesized that math-anxious students are more likely affected by the gender stereotype threat and that may play a role in their performance? Furthermore, we also want to explore whether math anxious students are more likely to be an entity theorist than incremental theorist and whether those who are math anxious will be more likely to be fixated on variables associated with coefficients? Path analysis and independent samples t-test will be used to generate results for this study. We hope to conclude that both the theories of intelligence and metacognition mediate the relationship between mathematics anxiety and gender stereotype threat.Keywords: math anxiety, emotions, affective domains fo learning, cognitive underlinings
Procedia PDF Downloads 2663955 A Framework for Enhancing Mobile Development Software for Rangsit University, Thailand
Authors: Thossaporn Thossansin
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This paper presents the developing of a mobile application for students who are studying in a Faculty of Information Technology, Rangsit University (RSU), Thailand. RSU enhanced the enrollment process by leveraging its information systems, which allows students to download RSU APP. This helps students to access RSU’s information that is important for them. The reason to have a mobile application is to give support students’ ability to access the system at anytime, anywhere and anywhere. The objective of this paper was to develop an application on iOS platform for students who are studying in Faculty of Information Technology, Rangsit University, Thailand. Studies and learns student’s perception for a new mobile app. This paper has targeted a group of students who is studied in year 1-4 in the faculty of information technology, Rangsit University. This new application has been developed by the department of information technology, Rangsit University and it has generally called as RSU APP. This is a new mobile application development for RSU, which has useful features and functionalities in giving support to students. The core module has consisted of RSU’s announcement, calendar, event, activities, and ebook. The mobile app has developed on iOS platform that is related to RSU’s policies in giving free Tablets for the first year students. The user satisfaction is analyzed from interview data that has 81 interviews and Google application such as google form is taken into account for 122 interviews. Generally, users were satisfied to-use application with the most satisfaction at the level of 4.67. SD is 0.52, which found the most satisfaction in that users can learn and use quickly. The most satisfying is 4.82 and SD is 0.71 and the lowest satisfaction rating in its modern form, apps lists. The satisfaction is 4.01, and SD is 0.45.Keywords: mobile application, development of mobile application, framework of mobile development, software development for mobile devices
Procedia PDF Downloads 3233954 Isotope Effects on Inhibitors Binding to HIV Reverse Transcriptase
Authors: Agnieszka Krzemińska, Katarzyna Świderek, Vicente Molinier, Piotr Paneth
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In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects.Keywords: binding isotope effects, molecular dynamics, HIV, reverse transcriptase
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