Search results for: multi-factorial error modeling
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5527

Search results for: multi-factorial error modeling

1087 Bluetooth Communication Protocol Study for Multi-Sensor Applications

Authors: Joao Garretto, R. J. Yarwood, Vamsi Borra, Frank Li

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Bluetooth Low Energy (BLE) has emerged as one of the main wireless communication technologies used in low-power electronics, such as wearables, beacons, and Internet of Things (IoT) devices. BLE’s energy efficiency characteristic, smart mobiles interoperability, and Over the Air (OTA) capabilities are essential features for ultralow-power devices, which are usually designed with size and cost constraints. Most current research regarding the power analysis of BLE devices focuses on the theoretical aspects of the advertising and scanning cycles, with most results being presented in the form of mathematical models and computer software simulations. Such computer modeling and simulations are important for the comprehension of the technology, but hardware measurement is essential for the understanding of how BLE devices behave in real operation. In addition, recent literature focuses mostly on the BLE technology, leaving possible applications and its analysis out of scope. In this paper, a coin cell battery-powered BLE Data Acquisition Device, with a 4-in-1 sensor and one accelerometer, is proposed and evaluated with respect to its Power Consumption. First, evaluations of the device in advertising mode with the sensors turned off completely, followed by the power analysis when each of the sensors is individually turned on and data is being transmitted, and concluding with the power consumption evaluation when both sensors are on and respectively broadcasting the data to a mobile phone. The results presented in this paper are real-time measurements of the electrical current consumption of the BLE device, where the energy levels that are demonstrated are matched to the BLE behavior and sensor activity.

Keywords: bluetooth low energy, power analysis, BLE advertising cycle, wireless sensor node

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1086 The Advancement of Environmental Impact Assessment for 5th Transmission Natural Gas Pipeline Project in Thailand

Authors: Penrug Pengsombut, Worawut Hamarn, Teerawuth Suwannasri, Kittiphong Songrukkiat, Kanatip Ratanachoo

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PTT Public Company Limited or simply PTT has played an important role in strengthening national energy security of the Kingdom of Thailand by transporting natural gas to customers in power, industrial and commercial sectors since 1981. PTT has been constructing and operating natural gas pipeline system of over 4,500-km network length both onshore and offshore laid through different area classifications i.e., marine, forest, agriculture, rural, urban, and city areas. During project development phase, an Environmental Impact Assessment (EIA) is conducted and submitted to the Office of Natural Resources and Environmental Policy and Planning (ONEP) for approval before project construction commencement. Knowledge and experiences gained and revealed from EIA in the past projects definitely are developed to further advance EIA study process for newly 5th Transmission Natural Gas Pipeline Project (5TP) with approximately 415 kilometers length. The preferred pipeline route is selected and justified by SMARTi map, an advance digital one-map platform with consists of multiple layers geographic and environmental information. Sensitive area impact focus (SAIF) is a practicable impact assessment methodology which appropriate for a particular long distance infrastructure project such as 5TP. An environmental modeling simulation is adopted into SAIF methodology for impact quantified in all sensitive areas whereas other area along pipeline right-of-ways is typically assessed as an impact representative. Resulting time and cost deduction is beneficial to project for early start.

Keywords: environmental impact assessment, EIA, natural gas pipeline, sensitive area impact focus, SAIF

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1085 The Relationships between Carbon Dioxide (CO2) Emissions, Energy Consumption and GDP for Iran: Time Series Analysis, 1980-2010

Authors: Jinhoa Lee

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The relationships between environmental quality, energy use and economic output have created growing attention over the past decades among researchers and policy makers. Focusing on the empirical aspects of the role of carbon dioxide (CO2) emissions and energy use in affecting the economic output, this paper is an effort to fulfill the gap in a comprehensive case study at a country level using modern econometric techniques. To achieve the goal, this country-specific study examines the short-run and long-run relationships among energy consumption (using disaggregated energy sources: Crude oil, coal, natural gas, and electricity), CO2 emissions and gross domestic product (GDP) for Iran using time series analysis from the year 1980-2010. To investigate the relationships between the variables, this paper employs the Augmented Dickey-Fuller (ADF) test for stationarity, Johansen’s maximum likelihood method for cointegration and a Vector Error Correction Model (VECM) for both short- and long-run causality among the research variables for the sample. All the variables in this study show very strong significant effects on GDP in the country for the long term. The long-run equilibrium in VECM suggests that all energy consumption variables in this study have significant impacts on GDP in the long term. The consumption of petroleum products and the direct combustion of crude oil and natural gas decrease GDP, while the coal and electricity use enhanced the GDP between 1980-2010 in Iran. In the short term, only electricity use enhances the GDP as well as its long-run effects. All variables of this study, except the CO2 emissions, show significant effects on the GDP in the country for the long term. The long-run equilibrium in VECM suggests that the consumption of petroleum products and the direct combustion of crude oil and natural gas use have positive impacts on the GDP while the consumptions of electricity and coal have adverse impacts on the GDP in the long term. In the short run, electricity use enhances the GDP over period of 1980-2010 in Iran. Overall, the results partly support arguments that there are relationships between energy use and economic output, but the associations can be differed by the sources of energy in the case of Iran over period of 1980-2010. However, there is no significant relationship between the CO2 emissions and the GDP and between the CO2 emissions and the energy use both in the short term and long term.

Keywords: CO2 emissions, energy consumption, GDP, Iran, time series analysis

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1084 Talent Management, Employee Competency, and Organizational Performance

Authors: Sunyoung Park

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Context: Talent management is a strategic approach that has received considerable attention in recent years to improve employee competency and organizational performance in many organizations. The implementation of talent management involves identifying objectives and positions within the organization, developing a pool of high-potential employees, and establishing appropriate HR functions to promote high employee and organizational performance. This study aims to investigate the relationship between talent management, HR functions, employee competency, and organizational performance in the South Korean context. Research Aim: The main objective of this study is to investigate the structural relationships among talent management, human resources (HR) functions, employee competency, and organizational performance. Methodology: To achieve the research aim, this study used a quantitative research method. Specifically, a total of 1,478 responses were analyzed using structural equation modeling based on data obtained from the Human Capital Corporate Panel (HCCP) survey in South Korea. Findings: The study revealed that talent management has a positive influence on HR functions and employee competency. Additionally, HR functions directly affect employee competency and organizational performance. Employee competency was found to be related to organizational performance. Moreover, talent management and HR functions indirectly affect organizational performance through employee competency. Theoretical Importance: This study provides empirical evidence of the relationship between talent management, HR functions, employee competency, and organizational performance in the South Korean context. The findings suggest that organizations should focus on developing appropriate talent management and HR functions to improve employee competency, which, in turn, will lead to better organizational performance. Moreover, the study contributes to the existing literature by emphasizing the importance of the relationship between talent management and HR functions in improving organizational performance.

Keywords: employee competency, HR functions, organizational performance, talent management

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1083 A Comprehensive Study of Spread Models of Wildland Fires

Authors: Manavjit Singh Dhindsa, Ursula Das, Kshirasagar Naik, Marzia Zaman, Richard Purcell, Srinivas Sampalli, Abdul Mutakabbir, Chung-Horng Lung, Thambirajah Ravichandran

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These days, wildland fires, also known as forest fires, are more prevalent than ever. Wildfires have major repercussions that affect ecosystems, communities, and the environment in several ways. Wildfires lead to habitat destruction and biodiversity loss, affecting ecosystems and causing soil erosion. They also contribute to poor air quality by releasing smoke and pollutants that pose health risks, especially for individuals with respiratory conditions. Wildfires can damage infrastructure, disrupt communities, and cause economic losses. The economic impact of firefighting efforts, combined with their direct effects on forestry and agriculture, causes significant financial difficulties for the areas impacted. This research explores different forest fire spread models and presents a comprehensive review of various techniques and methodologies used in the field. A forest fire spread model is a computational or mathematical representation that is used to simulate and predict the behavior of a forest fire. By applying scientific concepts and data from empirical studies, these models attempt to capture the intricate dynamics of how a fire spreads, taking into consideration a variety of factors like weather patterns, topography, fuel types, and environmental conditions. These models assist authorities in understanding and forecasting the potential trajectory and intensity of a wildfire. Emphasizing the need for a comprehensive understanding of wildfire dynamics, this research explores the approaches, assumptions, and findings derived from various models. By using a comparison approach, a critical analysis is provided by identifying patterns, strengths, and weaknesses among these models. The purpose of the survey is to further wildfire research and management techniques. Decision-makers, researchers, and practitioners can benefit from the useful insights that are provided by synthesizing established information. Fire spread models provide insights into potential fire behavior, facilitating authorities to make informed decisions about evacuation activities, allocating resources for fire-fighting efforts, and planning for preventive actions. Wildfire spread models are also useful in post-wildfire mitigation strategies as they help in assessing the fire's severity, determining high-risk regions for post-fire dangers, and forecasting soil erosion trends. The analysis highlights the importance of customized modeling approaches for various circumstances and promotes our understanding of the way forest fires spread. Some of the known models in this field are Rothermel’s wildland fuel model, FARSITE, WRF-SFIRE, FIRETEC, FlamMap, FSPro, cellular automata model, and others. The key characteristics that these models consider include weather (includes factors such as wind speed and direction), topography (includes factors like landscape elevation), and fuel availability (includes factors like types of vegetation) among other factors. The models discussed are physics-based, data-driven, or hybrid models, also utilizing ML techniques like attention-based neural networks to enhance the performance of the model. In order to lessen the destructive effects of forest fires, this initiative aims to promote the development of more precise prediction tools and effective management techniques. The survey expands its scope to address the practical needs of numerous stakeholders. Access to enhanced early warning systems enables decision-makers to take prompt action. Emergency responders benefit from improved resource allocation strategies, strengthening the efficacy of firefighting efforts.

Keywords: artificial intelligence, deep learning, forest fire management, fire risk assessment, fire simulation, machine learning, remote sensing, wildfire modeling

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1082 Optimizing Groundwater Pumping for a Complex Groundwater/Surface Water System

Authors: Emery A. Coppola Jr., Suna Cinar, Ferenc Szidarovszky

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Over-pumping of groundwater resources is a serious problem world-wide. In addition to depleting this valuable resource, hydraulically connected sensitive ecological resources like wetlands and surface water bodies are often impacted and even destroyed by over-pumping. Effectively managing groundwater in a way that satisfy human demand while preserving natural resources is a daunting challenge that will only worsen with growing human populations and climate change. As presented in this paper, a numerical flow model developed for a hypothetical but realistic groundwater/surface water system was combined with formal optimization. Response coefficients were used in an optimization management model to maximize groundwater pumping in a complex, multi-layered aquifer system while protecting against groundwater over-draft, streamflow depletion, and wetland impacts. Pumping optimization was performed for different constraint sets that reflect different resource protection preferences, yielding significantly different optimal pumping solutions. A sensitivity analysis on the optimal solutions was performed on select response coefficients to identify differences between wet and dry periods. Stochastic optimization was also performed, where uncertainty associated with changing irrigation demand due to changing weather conditions are accounted for. One of the strengths of this optimization approach is that it can efficiently and accurately identify superior management strategies that minimize risk and adverse environmental impacts associated with groundwater pumping under different hydrologic conditions.

Keywords: numerical groundwater flow modeling, water management optimization, groundwater overdraft, streamflow depletion

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1081 Processing and Modeling of High-Resolution Geophysical Data for Archaeological Prospection, Nuri Area, Northern Sudan

Authors: M. Ibrahim Ali, M. El Dawi, M. A. Mohamed Ali

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In this study, the use of magnetic gradient survey, and the geoelectrical ground methods used together to explore archaeological features in Nuri’s pyramids area. Research methods used and the procedures and methodologies have taken full right during the study. The magnetic survey method was used to search for archaeological features using (Geoscan Fluxgate Gradiometer (FM36)). The study area was divided into a number of squares (networks) exactly equal (20 * 20 meters). These squares were collected at the end of the study to give a major network for each region. Networks also divided to take the sample using nets typically equal to (0.25 * 0.50 meter), in order to give a more specific archaeological features with some small bipolar anomalies that caused by buildings built from fired bricks. This definition is important to monitor many of the archaeological features such as rooms and others. This main network gives us an integrated map displayed for easy presentation, and it also allows for all the operations required using (Geoscan Geoplot software). The parallel traverse is the main way to take readings of the magnetic survey, to get out the high-quality data. The study area is very rich in old buildings that vary from small to very large. According to the proportion of the sand dunes and the loose soil, most of these buildings are not visible from the surface. Because of the proportion of the sandy dry soil, there is no connection between the ground surface and the electrodes. We tried to get electrical readings by adding salty water to the soil, but, unfortunately, we failed to confirm the magnetic readings with electrical readings as previously planned.

Keywords: archaeological features, independent grids, magnetic gradient, Nuri pyramid

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1080 Landsat Data from Pre Crop Season to Estimate the Area to Be Planted with Summer Crops

Authors: Valdir Moura, Raniele dos Anjos de Souza, Fernando Gomes de Souza, Jose Vagner da Silva, Jerry Adriani Johann

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The estimate of the Area of Land to be planted with annual crops and its stratification by the municipality are important variables in crop forecast. Nowadays in Brazil, these information’s are obtained by the Brazilian Institute of Geography and Statistics (IBGE) and published under the report Assessment of the Agricultural Production. Due to the high cloud cover in the main crop growing season (October to March) it is difficult to acquire good orbital images. Thus, one alternative is to work with remote sensing data from dates before the crop growing season. This work presents the use of multitemporal Landsat data gathered on July and September (before the summer growing season) in order to estimate the area of land to be planted with summer crops in an area of São Paulo State, Brazil. Geographic Information Systems (GIS) and digital image processing techniques were applied for the treatment of the available data. Supervised and non-supervised classifications were used for data in digital number and reflectance formats and the multitemporal Normalized Difference Vegetation Index (NDVI) images. The objective was to discriminate the tracts with higher probability to become planted with summer crops. Classification accuracies were evaluated using a sampling system developed basically for this study region. The estimated areas were corrected using the error matrix derived from these evaluations. The classification techniques presented an excellent level according to the kappa index. The proportion of crops stratified by municipalities was derived by a field work during the crop growing season. These proportion coefficients were applied onto the area of land to be planted with summer crops (derived from Landsat data). Thus, it was possible to derive the area of each summer crop by the municipality. The discrepancies between official statistics and our results were attributed to the sampling and the stratification procedures. Nevertheless, this methodology can be improved in order to provide good crop area estimates using remote sensing data, despite the cloud cover during the growing season.

Keywords: area intended for summer culture, estimated area planted, agriculture, Landsat, planting schedule

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1079 The Mediating Role of Psychological Factors in the Relationships Between Youth Problematic Internet and Subjective Well-Being

Authors: Dorit Olenik-Shemesh, Tali Heiman

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The rapid increase in the massive use of the internet in recent yearshas led to an increase in the prevalence of a phenomenon called 'Problematic Internet use' (PIU), an emerging, growing health problem, especially during adolescents, that poses a challenge for mental health research and practitioners. Problematic Internet use (PIU) is defined as an excessive overuse of the internet, including an inability to control time spent on the internet, cognitivepreoccupation with the Internet, and continued use in spite of the adverse consequences, which may lead to psychological, social, and academic difficulties in one's life and daily functioning. However, little is known about the nature of the nexusbetween PIU and subjective well-being among adolescents. The main purpose of the current study was to explore in depth the network of connections between PIU, sense of well-being, and fourpersonal-emotional factors (resilience, self-control, depressive mood, and loneliness) that may mediate these relationships. A total sample of 433 adolescents, 214 (49.4%) girls and 219 (50.6%) boys between the ages of 12–17 (mean = 14.9, SD = 2.16), completed self-reportquestionnaires relating to the study variables. In line with the hypothesis, analysis of a Structural Equation modeling (SEM) revealed the main following results: high levels of PIU predicted low levels of well-being among adolescents. In addition, low levels of resilience and high levels of depressivemood (together), as well as low levels of self control and high levels of depressivemood (together), as well as low levels of resilience and high levels of loneliness, mediated the relationships between PIU and well-being. In general, girls were found to be higher in PIU and inresilience than boys. The study results revealed specific implications for developing intervention programs for adolescents in the context of PIU; aiming at more balanced adjusted use of the Internet along withpreventingthe decrease in well being.

Keywords: probelmatic inetrent Use, well-being, adolescents, SEM model

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1078 Development of an Instrument for Measurement of Thermal Conductivity and Thermal Diffusivity of Tropical Fruit Juice

Authors: T. Ewetumo, K. D. Adedayo, Festus Ben

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Knowledge of the thermal properties of foods is of fundamental importance in the food industry to establish the design of processing equipment. However, for tropical fruit juice, there is very little information in literature, seriously hampering processing procedures. This research work describes the development of an instrument for automated thermal conductivity and thermal diffusivity measurement of tropical fruit juice using a transient thermal probe technique based on line heat principle. The system consists of two thermocouple sensors, constant current source, heater, thermocouple amplifier, microcontroller, microSD card shield and intelligent liquid crystal. A fixed distance of 6.50mm was maintained between the two probes. When heat is applied, the temperature rise at the heater probe measured with time at time interval of 4s for 240s. The measuring element conforms as closely as possible to an infinite line source of heat in an infinite fluid. Under these conditions, thermal conductivity and thermal diffusivity are simultaneously measured, with thermal conductivity determined from the slope of a plot of the temperature rise of the heating element against the logarithm of time while thermal diffusivity was determined from the time it took the sample to attain a peak temperature and the time duration over a fixed diffusivity distance. A constant current source was designed to apply a power input of 16.33W/m to the probe throughout the experiment. The thermal probe was interfaced with a digital display and data logger by using an application program written in C++. Calibration of the instrument was done by determining the thermal properties of distilled water. Error due to convection was avoided by adding 1.5% agar to the water. The instrument has been used for measurement of thermal properties of banana, orange and watermelon. Thermal conductivity values of 0.593, 0.598, 0.586 W/m^o C and thermal diffusivity values of 1.053 ×〖10〗^(-7), 1.086 ×〖10〗^(-7), and 0.959 ×〖10〗^(-7) 〖m/s〗^2 were obtained for banana, orange and water melon respectively. Measured values were stored in a microSD card. The instrument performed very well as it measured the thermal conductivity and thermal diffusivity of the tropical fruit juice samples with statistical analysis (ANOVA) showing no significant difference (p>0.05) between the literature standards and estimated averages of each sample investigated with the developed instrument.

Keywords: thermal conductivity, thermal diffusivity, tropical fruit juice, diffusion equation

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1077 Factors Affecting Internet Behavior and Life Satisfaction of Older Adult Learners with Use of Smartphone

Authors: Horng-Ji Lai

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The intuitive design features and friendly interface of smartphone attract older adults. In Taiwan, many senior education institutes offer smartphone training courses for older adult learners who are interested in learning this innovative technology. It is expected that the training courses can help them to enjoy the benefits of using smartphone and increase their life satisfaction. Therefore, it is important to investigate the factors that influence older adults’ behavior of using smartphone. The purpose of the research was to develop and test a research model that investigates the factors (self-efficacy, social connection, the need to seek health information, and the need to seek financial information) affecting older adult learners’ Internet behaviour and their life satisfaction with use of smartphone. Also, this research sought to identify the relationship between the proposed variables. Survey method was used to collect research data. A Structural Equation Modeling was performed using Partial Least Squares (PLS) regression for data exploration and model estimation. The participants were 394 older adult learners from smartphone training courses in active aging learning centers located in central Taiwan. The research results revealed that self-efficacy significantly affected older adult learner’ social connection, the need to seek health information, and the need to seek financial information. The construct of social connection yielded a positive influence in respondents’ life satisfaction. The implications of these results for practice and future research are also discussed.

Keywords: older adults, smartphone, internet behaviour, life satisfaction

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1076 Design and Radio Frequency Characterization of Radial Reentrant Narrow Gap Cavity for the Inductive Output Tube

Authors: Meenu Kaushik, Ayon K. Bandhoyadhayay, Lalit M. Joshi

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Inductive output tubes (IOTs) are widely used as microwave power amplifiers for broadcast and scientific applications. It is capable of amplifying radio frequency (RF) power with very good efficiency. Its compactness, reliability, high efficiency, high linearity and low operating cost make this device suitable for various applications. The device consists of an integrated structure of electron gun and RF cavity, collector and focusing structure. The working principle of IOT is a combination of triode and klystron. The cathode lies in the electron gun produces a stream of electrons. A control grid is placed in close proximity to the cathode. Basically, the input part of IOT is the integrated structure of gridded electron gun which acts as an input cavity thereby providing the interaction gap where the input RF signal is applied to make it interact with the produced electron beam for supporting the amplification phenomena. The paper presents the design, fabrication and testing of a radial re-entrant cavity for implementing in the input structure of IOT at 350 MHz operating frequency. The model’s suitability has been discussed and a generalized mathematical relation has been introduced for getting the proper transverse magnetic (TM) resonating mode in the radial narrow gap RF cavities. The structural modeling has been carried out in CST and SUPERFISH codes. The cavity is fabricated with the Aluminum material and the RF characterization is done using vector network analyzer (VNA) and the results are presented for the resonant frequency peaks obtained in VNA.

Keywords: inductive output tubes, IOT, radial cavity, coaxial cavity, particle accelerators

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1075 Dispersion Effects in Waves Reflected by Lossy Conductors: The Optics vs. Electromagnetics Approach

Authors: Oibar Martinez, Clara Oliver, Jose Miguel Miranda

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The study of dispersion phenomena in electromagnetic waves reflected by conductors at infrared and lower frequencies is a topic which finds a number of applications. We aim to explain in this work what are the most relevant ones and how this phenomenon is modeled from both optics and electromagnetics points of view. We also explain here how the amplitude of an electromagnetic wave reflected by a lossy conductor could depend on both the frequency of the incident wave, as well as on the electrical properties of the conductor, and we illustrate this phenomenon with a practical example. The mathematical analysis made by a specialist in electromagnetics or a microwave engineer is apparently very different from the one made by a specialist in optics. We show here how both approaches lead to the same physical result and what are the key concepts which enable one to understand that despite the differences in the equations the solution to the problem happens to be the same. Our study starts with an analysis made by using the complex refractive index and the reflectance parameter. We show how this reflectance has a dependence with the square root of the frequency when the reflecting material is a good conductor, and the frequency of the wave is low enough. Then we analyze the same problem with a less known approach, which is based on the reflection coefficient of the electric field, a parameter that is most commonly used in electromagnetics and microwave engineering. In summary, this paper presents a mathematical study illustrated with a worked example which unifies the modeling of dispersion effects made by specialists in optics and the one made by specialists in electromagnetics. The main finding of this work is that it is possible to reproduce the dependence of the Fresnel reflectance with frequency from the intrinsic impedance of the reflecting media.

Keywords: dispersion, electromagnetic waves, microwaves, optics

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1074 Technical and Economic Analysis of Smart Micro-Grid Renewable Energy Systems: An Applicable Case Study

Authors: M. A. Fouad, M. A. Badr, Z. S. Abd El-Rehim, Taher Halawa, Mahmoud Bayoumi, M. M. Ibrahim

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Renewable energy-based micro-grids are presently attracting significant consideration. The smart grid system is presently considered a reliable solution for the expected deficiency in the power required from future power systems. The purpose of this study is to determine the optimal components sizes of a micro-grid, investigating technical and economic performance with the environmental impacts. The micro grid load is divided into two small factories with electricity, both on-grid and off-grid modes are considered. The micro-grid includes photovoltaic cells, back-up diesel generator wind turbines, and battery bank. The estimated load pattern is 76 kW peak. The system is modeled and simulated by MATLAB/Simulink tool to identify the technical issues based on renewable power generation units. To evaluate system economy, two criteria are used: the net present cost and the cost of generated electricity. The most feasible system components for the selected application are obtained, based on required parameters, using HOMER simulation package. The results showed that a Wind/Photovoltaic (W/PV) on-grid system is more economical than a Wind/Photovoltaic/Diesel/Battery (W/PV/D/B) off-grid system as the cost of generated electricity (COE) is 0.266 $/kWh and 0.316 $/kWh, respectively. Considering the cost of carbon dioxide emissions, the off-grid will be competitive to the on-grid system as COE is found to be (0.256 $/kWh, 0.266 $/kWh), for on and off grid systems.

Keywords: renewable energy sources, micro-grid system, modeling and simulation, on/off grid system, environmental impacts

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1073 Application of Compressed Sensing and Different Sampling Trajectories for Data Reduction of Small Animal Magnetic Resonance Image

Authors: Matheus Madureira Matos, Alexandre Rodrigues Farias

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Magnetic Resonance Imaging (MRI) is a vital imaging technique used in both clinical and pre-clinical areas to obtain detailed anatomical and functional information. However, MRI scans can be expensive, time-consuming, and often require the use of anesthetics to keep animals still during the imaging process. Anesthetics are commonly administered to animals undergoing MRI scans to ensure they remain still during the imaging process. However, prolonged or repeated exposure to anesthetics can have adverse effects on animals, including physiological alterations and potential toxicity. Minimizing the duration and frequency of anesthesia is, therefore, crucial for the well-being of research animals. In recent years, various sampling trajectories have been investigated to reduce the number of MRI measurements leading to shorter scanning time and minimizing the duration of animal exposure to the effects of anesthetics. Compressed sensing (CS) and sampling trajectories, such as cartesian, spiral, and radial, have emerged as powerful tools to reduce MRI data while preserving diagnostic quality. This work aims to apply CS and cartesian, spiral, and radial sampling trajectories for the reconstruction of MRI of the abdomen of mice sub-sampled at levels below that defined by the Nyquist theorem. The methodology of this work consists of using a fully sampled reference MRI of a female model C57B1/6 mouse acquired experimentally in a 4.7 Tesla MRI scanner for small animals using Spin Echo pulse sequences. The image is down-sampled by cartesian, radial, and spiral sampling paths and then reconstructed by CS. The quality of the reconstructed images is objectively assessed by three quality assessment techniques RMSE (Root mean square error), PSNR (Peak to Signal Noise Ratio), and SSIM (Structural similarity index measure). The utilization of optimized sampling trajectories and CS technique has demonstrated the potential for a significant reduction of up to 70% of image data acquisition. This result translates into shorter scan times, minimizing the duration and frequency of anesthesia administration and reducing the potential risks associated with it.

Keywords: compressed sensing, magnetic resonance, sampling trajectories, small animals

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1072 The Improvement of Turbulent Heat Flux Parameterizations in Tropical GCMs Simulations Using Low Wind Speed Excess Resistance Parameter

Authors: M. O. Adeniyi, R. T. Akinnubi

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The parameterization of turbulent heat fluxes is needed for modeling land-atmosphere interactions in Global Climate Models (GCMs). However, current GCMs still have difficulties with producing reliable turbulent heat fluxes for humid tropical regions, which may be due to inadequate parameterization of the roughness lengths for momentum (z0m) and heat (z0h) transfer. These roughness lengths are usually expressed in term of excess resistance factor (κB^(-1)), and this factor is used to account for different resistances for momentum and heat transfers. In this paper, a more appropriate excess resistance factor (〖 κB〗^(-1)) suitable for low wind speed condition was developed and incorporated into the aerodynamic resistance approach (ARA) in the GCMs. Also, the performance of various standard GCMs κB^(-1) schemes developed for high wind speed conditions were assessed. Based on the in-situ surface heat fluxes and profile measurements of wind speed and temperature from Nigeria Micrometeorological Experimental site (NIMEX), new κB^(-1) was derived through application of the Monin–Obukhov similarity theory and Brutsaert theoretical model for heat transfer. Turbulent flux parameterizations with this new formula provides better estimates of heat fluxes when compared with others estimated using existing GCMs κB^(-1) schemes. The derived κB^(-1) MBE and RMSE in the parameterized QH ranged from -1.15 to – 5.10 Wm-2 and 10.01 to 23.47 Wm-2, while that of QE ranged from - 8.02 to 6.11 Wm-2 and 14.01 to 18.11 Wm-2 respectively. The derived 〖 κB〗^(-1) gave better estimates of QH than QE during daytime. The derived 〖 κB〗^(-1)=6.66〖 Re〗_*^0.02-5.47, where Re_* is the Reynolds number. The derived κB^(-1) scheme which corrects a well documented large overestimation of turbulent heat fluxes is therefore, recommended for most regional models within the tropic where low wind speed is prevalent.

Keywords: humid, tropic, excess resistance factor, overestimation, turbulent heat fluxes

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1071 On the Added Value of Probabilistic Forecasts Applied to the Optimal Scheduling of a PV Power Plant with Batteries in French Guiana

Authors: Rafael Alvarenga, Hubert Herbaux, Laurent Linguet

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The uncertainty concerning the power production of intermittent renewable energy is one of the main barriers to the integration of such assets into the power grid. Efforts have thus been made to develop methods to quantify this uncertainty, allowing producers to ensure more reliable and profitable engagements related to their future power delivery. Even though a diversity of probabilistic approaches was proposed in the literature giving promising results, the added value of adopting such methods for scheduling intermittent power plants is still unclear. In this study, the profits obtained by a decision-making model used to optimally schedule an existing PV power plant connected to batteries are compared when the model is fed with deterministic and probabilistic forecasts generated with two of the most recent methods proposed in the literature. Moreover, deterministic forecasts with different accuracy levels were used in the experiments, testing the utility and the capability of probabilistic methods of modeling the progressively increasing uncertainty. Even though probabilistic approaches are unquestionably developed in the recent literature, the results obtained through a study case show that deterministic forecasts still provide the best performance if accurate, ensuring a gain of 14% on final profits compared to the average performance of probabilistic models conditioned to the same forecasts. When the accuracy of deterministic forecasts progressively decreases, probabilistic approaches start to become competitive options until they completely outperform deterministic forecasts when these are very inaccurate, generating 73% more profits in the case considered compared to the deterministic approach.

Keywords: PV power forecasting, uncertainty quantification, optimal scheduling, power systems

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1070 A Modular and Reusable Bond Graph Model of Epithelial Transport in the Proximal Convoluted Tubule

Authors: Leyla Noroozbabaee, David Nickerson

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We introduce a modular, consistent, reusable bond graph model of the renal nephron’s proximal convoluted tubule (PCT), which can reproduce biological behaviour. In this work, we focus on ion and volume transport in the proximal convoluted tubule of the renal nephron. Modelling complex systems requires complex modelling problems to be broken down into manageable pieces. This can be enabled by developing models of subsystems that are subsequently coupled hierarchically. Because they are based on a graph structure. In the current work, we define two modular subsystems: the resistive module representing the membrane and the capacitive module representing solution compartments. Each module is analyzed based on thermodynamic processes, and all the subsystems are reintegrated into circuit theory in network thermodynamics. The epithelial transport system we introduce in the current study consists of five transport membranes and four solution compartments. Coupled dissipations in the system occur in the membrane subsystems and coupled free-energy increasing, or decreasing processes appear in solution compartment subsystems. These structural subsystems also consist of elementary thermodynamic processes: dissipations, free-energy change, and power conversions. We provide free and open access to the Python implementation to ensure our model is accessible, enabling the reader to explore the model through setting their simulations and reproducibility tests.

Keywords: Bond Graph, Epithelial Transport, Water Transport, Mathematical Modeling

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1069 Numerical Modelling of Immiscible Fluids Flow in Oil Reservoir Rocks during Enhanced Oil Recovery Processes

Authors: Zahreddine Hafsi, Manoranjan Mishra , Sami Elaoud

Abstract:

Ensuring the maximum recovery rate of oil from reservoir rocks is a challenging task that requires preliminary numerical analysis of different techniques used to enhance the recovery process. After conventional oil recovery processes and in order to retrieve oil left behind after the primary recovery phase, water flooding in one of several techniques used for enhanced oil recovery (EOR). In this research work, EOR via water flooding is numerically modeled, and hydrodynamic instabilities resulted from immiscible oil-water flow in reservoir rocks are investigated. An oil reservoir is a porous medium consisted of many fractures of tiny dimensions. For modeling purposes, the oil reservoir is considered as a collection of capillary tubes which provides useful insights into how fluids behave in the reservoir pore spaces. Equations governing oil-water flow in oil reservoir rocks are developed and numerically solved following a finite element scheme. Numerical results are obtained using Comsol Multiphysics software. The two phase Darcy module of COMSOL Multiphysics allows modelling the imbibition process by the injection of water (as wetting phase) into an oil reservoir. Van Genuchten, Brooks Corey and Levrett models were considered as retention models and obtained flow configurations are compared, and the governing parameters are discussed. For the considered retention models it was found that onset of instabilities viz. fingering phenomenon is highly dependent on the capillary pressure as well as the boundary conditions, i.e., the inlet pressure and the injection velocity.

Keywords: capillary pressure, EOR process, immiscible flow, numerical modelling

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1068 Simulation of Dynamic Behavior of Seismic Isolators Using a Parallel Elasto-Plastic Model

Authors: Nicolò Vaiana, Giorgio Serino

Abstract:

In this paper, a one-dimensional (1d) Parallel Elasto- Plastic Model (PEPM), able to simulate the uniaxial dynamic behavior of seismic isolators having a continuously decreasing tangent stiffness with increasing displacement, is presented. The parallel modeling concept is applied to discretize the continuously decreasing tangent stiffness function, thus allowing to simulate the dynamic behavior of seismic isolation bearings by putting linear elastic and nonlinear elastic-perfectly plastic elements in parallel. The mathematical model has been validated by comparing the experimental force-displacement hysteresis loops, obtained testing a helical wire rope isolator and a recycled rubber-fiber reinforced bearing, with those predicted numerically. Good agreement between the simulated and experimental results shows that the proposed model can be an effective numerical tool to predict the forcedisplacement relationship of seismic isolators within relatively large displacements. Compared to the widely used Bouc-Wen model, the proposed one allows to avoid the numerical solution of a first order ordinary nonlinear differential equation for each time step of a nonlinear time history analysis, thus reducing the computation effort, and requires the evaluation of only three model parameters from experimental tests, namely the initial tangent stiffness, the asymptotic tangent stiffness, and a parameter defining the transition from the initial to the asymptotic tangent stiffness.

Keywords: base isolation, earthquake engineering, parallel elasto-plastic model, seismic isolators, softening hysteresis loops

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1067 Aeroacoustics Investigations of Unsteady 3D Airfoil for Different Angle Using Computational Fluid Dynamics Software

Authors: Haydar Kepekçi, Baha Zafer, Hasan Rıza Güven

Abstract:

Noise disturbance is one of the major factors considered in the fast development of aircraft technology. This paper reviews the flow field, which is examined on the 2D NACA0015 and 3D NACA0012 blade profile using SST k-ω turbulence model to compute the unsteady flow field. We inserted the time-dependent flow area variables in Ffowcs-Williams and Hawkings (FW-H) equations as an input and Sound Pressure Level (SPL) values will be computed for different angles of attack (AoA) from the microphone which is positioned in the computational domain to investigate effect of augmentation of unsteady 2D and 3D airfoil region noise level. The computed results will be compared with experimental data which are available in the open literature. As results; one of the calculated Cp is slightly lower than the experimental value. This difference could be due to the higher Reynolds number of the experimental data. The ANSYS Fluent software was used in this study. Fluent includes well-validated physical modeling capabilities to deliver fast, accurate results across the widest range of CFD and multiphysics applications. This paper includes a study which is on external flow over an airfoil. The case of 2D NACA0015 has approximately 7 million elements and solves compressible fluid flow with heat transfer using the SST turbulence model. The other case of 3D NACA0012 has approximately 3 million elements.

Keywords: 3D blade profile, noise disturbance, aeroacoustics, Ffowcs-Williams and Hawkings (FW-H) equations, k-ω-SST turbulence model

Procedia PDF Downloads 185
1066 Avoiding Gas Hydrate Problems in Qatar Oil and Gas Industry: Environmentally Friendly Solvents for Gas Hydrate Inhibition

Authors: Nabila Mohamed, Santiago Aparicio, Bahman Tohidi, Mert Atilhan

Abstract:

Qatar's one of the biggest problem in processing its natural resource, which is natural gas, is the often occurring blockage in the pipelines caused due to uncontrolled gas hydrate formation in the pipelines. Several millions of dollars are being spent at the process site to dehydrate the blockage safely by using chemical inhibitors. We aim to establish national database, which addresses the physical conditions that promotes Qatari natural gas to form gas hydrates in the pipelines. Moreover, we aim to design and test novel hydrate inhibitors that are suitable for Qatari natural gas and its processing facilities. From these perspectives we are aiming to provide more effective and sustainable reservoir utilization and processing of Qatari natural gas. In this work, we present the initial findings of a QNRF funded project, which deals with the natural gas hydrate formation characteristics of Qatari type gas in both experimental (PVTx) and computational (molecular simulations) methods. We present the data from the two fully automated apparatus: a gas hydrate autoclave and a rocking cell. Hydrate equilibrium curves including growth/dissociation conditions for multi-component systems for several gas mixtures that represent Qatari type natural gas with and without the presence of well known kinetic and thermodynamic hydrate inhibitors. Ionic liquids were designed and used for testing their inhibition performance and their DFT and molecular modeling simulation results were also obtained and compared with the experimental results. Results showed significant performance of ionic liquids with up to 0.5 % in volume with up to 2 to 4 0C inhibition at high pressures.

Keywords: gas hydrates, natural gas, ionic liquids, inhibition, thermodynamic inhibitors, kinetic inhibitors

Procedia PDF Downloads 1289
1065 Third Party Logistics (3PL) Selection Criteria for an Indian Heavy Industry Using SEM

Authors: Nadama Kumar, P. Parthiban, T. Niranjan

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In the present paper, we propose an incorporated approach for 3PL supplier choice that suits the distinctive strategic needs of the outsourcing organization in southern part of India. Four fundamental criteria have been used in particular Performance, IT, Service and Intangible. These are additionally subdivided into fifteen sub-criteria. The proposed strategy coordinates Structural Equation Modeling (SEM) and Non-additive Fuzzy Integral strategies. The presentation of fluffiness manages the unclearness of human judgments. The SEM approach has been used to approve the determination criteria for the proposed show though the Non-additive Fuzzy Integral approach uses the SEM display contribution to assess a supplier choice score. The case organization has a exclusive vertically integrated assembly that comprises of several companies focusing on a slight array of the value chain. To confirm manufacturing and logistics proficiency, it significantly relies on 3PL suppliers to attain supply chain superiority. However, 3PL supplier selection is an intricate decision-making procedure relating multiple selection criteria. The goal of this work is to recognize the crucial 3PL selection criteria by using the non-additive fuzzy integral approach. Unlike the outmoded multi criterion decision-making (MCDM) methods which frequently undertake independence among criteria and additive importance weights, the nonadditive fuzzy integral is an effective method to resolve the dependency among criteria, vague information, and vital fuzziness of human judgment. In this work, we validate an empirical case that engages the nonadditive fuzzy integral to assess the importance weight of selection criteria and indicate the most suitable 3PL supplier.

Keywords: 3PL, non-additive fuzzy integral approach, SEM, fuzzy

Procedia PDF Downloads 258
1064 Adding a Few Language-Level Constructs to Improve OOP Verifiability of Semantic Correctness

Authors: Lian Yang

Abstract:

Object-oriented programming (OOP) is the dominant programming paradigm in today’s software industry and it has literally enabled average software developers to develop millions of commercial strength software applications in the era of INTERNET revolution over the past three decades. On the other hand, the lack of strict mathematical model and domain constraint features at the language level has long perplexed the computer science academia and OOP engineering community. This situation resulted in inconsistent system qualities and hard-to-understand designs in some OOP projects. The difficulties with regards to fix the current situation are also well known. Although the power of OOP lies in its unbridled flexibility and enormously rich data modeling capability, we argue that the ambiguity and the implicit facade surrounding the conceptual model of a class and an object should be eliminated as much as possible. We listed the five major usage of class and propose to separate them by proposing new language constructs. By using well-established theories of set and FSM, we propose to apply certain simple, generic, and yet effective constraints at OOP language level in an attempt to find a possible solution to the above-mentioned issues regarding OOP. The goal is to make OOP more theoretically sound as well as to aid programmers uncover warning signs of irregularities and domain-specific issues in applications early on the development stage and catch semantic mistakes at runtime, improving correctness verifiability of software programs. On the other hand, the aim of this paper is more practical than theoretical.

Keywords: new language constructs, set theory, FSM theory, user defined value type, function groups, membership qualification attribute (MQA), check-constraint (CC)

Procedia PDF Downloads 222
1063 Stature and Gender Estimation Using Foot Measurements in South Indian Population

Authors: Jagadish Rao Padubidri, Mehak Bhandary, Sowmya J. Rao

Abstract:

Introduction: The significance of the human foot and its measurements in identifying an individual has been proved a lot of times by different studies in different geographical areas and its association to the stature and gender of the individual has been justified by many researches. In our study we have used different foot measurements including the length, width, malleol height and navicular height for establishing its association to stature and gender and to find out its accuracy. The purpose of this study is to show the relation of foot measurements with stature and gender, and to derive Multiple and Logistic regression equations for stature and gender estimation in South Indian population. Materials and Methods: The subjects for this study were 200 South Indian students out of which 100 were females and 100 were males, aged between 18 to 24 years. The data for the present study included the stature, foot length, foot breath, foot malleol height, foot navicular height of both right and left foot. Descriptive statistics, T-test and Pearson correlation coefficients were derived between stature, gender and foot measurements. The stature was estimated from right and left foot measurements for both male and female South Indian population using multiple regression analysis and logistic regression analysis for gender estimation. Results: The means, standard deviation, stature, right and left foot measurements and T-test in male population were higher than in females. LFL (Left foot length) is more than RFL (Right Foot length) in male groups, but in female groups the length of both foot are almost equal [RFL=226.6, LFL=227.1]. There is not much of difference in means of RFW (Right foot width) and LFW (Left foot width) in both the genders. Significant difference were seen in mean values of malleol and navicular height of right and left feet in male gender. No such difference was seen in female subjects. Conclusions: The study has successfully demonstrated the correlation of foot length in stature estimation in all the three study groups in both right and left foot. Next in parameters are Foot width and malleol height in estimating stature among male and female groups. Navicular height of both right and left foot showed poor relationship with stature estimation in both male and female groups. Multiple regression equations for both right and left foot measurements to estimate stature were derived with standard error ranging from 11-12 cm in males and 10-11 cm in females. The SEE was 5.8 when both male and female groups were pooled together. The logistic regression model which was derived to determine gender showed 85% accuracy and 92.5% accuracy using right and left foot measurements respectively. We believe that stature and gender can be estimated with foot measurements in South Indian population.

Keywords: foot length, gender, stature, South Indian

Procedia PDF Downloads 316
1062 Prediction Modeling of Alzheimer’s Disease and Its Prodromal Stages from Multimodal Data with Missing Values

Authors: M. Aghili, S. Tabarestani, C. Freytes, M. Shojaie, M. Cabrerizo, A. Barreto, N. Rishe, R. E. Curiel, D. Loewenstein, R. Duara, M. Adjouadi

Abstract:

A major challenge in medical studies, especially those that are longitudinal, is the problem of missing measurements which hinders the effective application of many machine learning algorithms. Furthermore, recent Alzheimer's Disease studies have focused on the delineation of Early Mild Cognitive Impairment (EMCI) and Late Mild Cognitive Impairment (LMCI) from cognitively normal controls (CN) which is essential for developing effective and early treatment methods. To address the aforementioned challenges, this paper explores the potential of using the eXtreme Gradient Boosting (XGBoost) algorithm in handling missing values in multiclass classification. We seek a generalized classification scheme where all prodromal stages of the disease are considered simultaneously in the classification and decision-making processes. Given the large number of subjects (1631) included in this study and in the presence of almost 28% missing values, we investigated the performance of XGBoost on the classification of the four classes of AD, NC, EMCI, and LMCI. Using 10-fold cross validation technique, XGBoost is shown to outperform other state-of-the-art classification algorithms by 3% in terms of accuracy and F-score. Our model achieved an accuracy of 80.52%, a precision of 80.62% and recall of 80.51%, supporting the more natural and promising multiclass classification.

Keywords: eXtreme gradient boosting, missing data, Alzheimer disease, early mild cognitive impairment, late mild cognitive impair, multiclass classification, ADNI, support vector machine, random forest

Procedia PDF Downloads 163
1061 Effect of Surface Treatments on the Cohesive Response of Nylon 6/silica Interfaces

Authors: S. Arabnejad, D. W. C. Cheong, H. Chaobin, V. P. W. Shim

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Debonding is the one of the fundamental damage mechanisms in particle field composites. This phenomenon gains more importance in nano composites because of the extensive interfacial region present in these materials. Understanding the debonding mechanism accurately, can help in understanding and predicting the response of nano composites as the interface deteriorates. The small length scale of the phenomenon makes the experimental characterization complicated and the results of it, far from real physical behavior. In this study the damage process in nylon-6/silica interface is examined through Molecular Dynamics (MD) modeling and simulations. The silica has been modeled with three forms of surfaces – without any surface treatment, with the surface treatment of 3-aminopropyltriethoxysilane (APTES) and with Hexamethyldisilazane (HMDZ) surface treatment. The APTES surface modification used to create functional groups on the silica surface, reacts and form covalent bonds with nylon 6 chains while the HMDZ surface treatment only interacts with both particle and polymer by non-bond interaction. The MD model in this study uses a PCFF force field. The atomic model is generated in a periodic box with a layer of vacuum on top of the polymer layer. This layer of vacuum is large enough that assures us from not having any interaction between particle and substrate after debonding. Results show that each of these three models show a different traction separation behavior. However, all of them show an almost bilinear traction separation behavior. The study also reveals a strong correlation between the length of APTES surface treatment and the cohesive strength of the interface.

Keywords: debonding, surface treatment, cohesive response, separation behaviour

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1060 Evaluation of Newly Synthesized Steroid Derivatives Using In silico Molecular Descriptors and Chemometric Techniques

Authors: Milica Ž. Karadžić, Lidija R. Jevrić, Sanja Podunavac-Kuzmanović, Strahinja Z. Kovačević, Anamarija I. Mandić, Katarina Penov-Gaši, Andrea R. Nikolić, Aleksandar M. Oklješa

Abstract:

This study considered selection of the in silico molecular descriptors and the models for newly synthesized steroid derivatives description and their characterization using chemometric techniques. Multiple linear regression (MLR) models were established and gave the best molecular descriptors for quantitative structure-retention relationship (QSRR) modeling of the retention of the investigated molecules. MLR models were without multicollinearity among the selected molecular descriptors according to the variance inflation factor (VIF) values. Used molecular descriptors were ranked using generalized pair correlation method (GPCM). In this method, the significant difference between independent variables can be noticed regardless almost equal correlation between dependent variable. Generated MLR models were statistically and cross-validated and the best models were kept. Models were ranked using sum of ranking differences (SRD) method. According to this method, the most consistent QSRR model can be found and similarity or dissimilarity between the models could be noticed. In this study, SRD was performed using average values of experimentally observed data as a golden standard. Chemometric analysis was conducted in order to characterize newly synthesized steroid derivatives for further investigation regarding their potential biological activity and further synthesis. This article is based upon work from COST Action (CM1105), supported by COST (European Cooperation in Science and Technology).

Keywords: generalized pair correlation method, molecular descriptors, regression analysis, steroids, sum of ranking differences

Procedia PDF Downloads 326
1059 An Investigation into Why Liquefaction Charts Work: A Necessary Step toward Integrating the States of Art and Practice

Authors: Tarek Abdoun, Ricardo Dobry

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This paper is a systematic effort to clarify why field liquefaction charts based on Seed and Idriss’ Simplified Procedure work so well. This is a necessary step toward integrating the states of the art (SOA) and practice (SOP) for evaluating liquefaction and its effects. The SOA relies mostly on laboratory measurements and correlations with void ratio and relative density of the sand. The SOP is based on field measurements of penetration resistance and shear wave velocity coupled with empirical or semi-empirical correlations. This gap slows down further progress in both SOP and SOA. The paper accomplishes its objective through: a literature review of relevant aspects of the SOA including factors influencing threshold shear strain and pore pressure buildup during cyclic strain-controlled tests; a discussion of factors influencing field penetration resistance and shear wave velocity; and a discussion of the meaning of the curves in the liquefaction charts separating liquefaction from no liquefaction, helped by recent full-scale and centrifuge results. It is concluded that the charts are curves of constant cyclic strain at the lower end (Vs1 < 160 m/s), with this strain being about 0.03 to 0.05% for earthquake magnitude, Mw ≈ 7. It is also concluded, in a more speculative way, that the curves at the upper end probably correspond to a variable increasing cyclic strain and Ko, with this upper end controlled by over consolidated and preshaken sands, and with cyclic strains needed to cause liquefaction being as high as 0.1 to 0.3%. These conclusions are validated by application to case histories corresponding to Mw ≈ 7, mostly in the San Francisco Bay Area of California during the 1989 Loma Prieta earthquake.

Keywords: permeability, lateral spreading, liquefaction, centrifuge modeling, shear wave velocity charts

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1058 Bio-Guided of Active New Alkaloids from Alstonia Brassi Toxicity Antitumour Activity in Silico and Molecular Modeling

Authors: Mesbah Khaled, Bouraoui Ouissal, Benkiniouar Rachid, Belkhiri Lotfi

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Alstonia, which are tropical plants with a wide geographical distribution, have been divided into different sections by different authors based on previous studies of several species within the genus. Monachino divides Alstonia into 5 sections, while Pichon divides it into 3 sections. Several plants belonging to this genus, such as Alstonia brassii, have been used in traditional folk medicine to treat ailments such as fever, malaria and dysentery]. Previous studies focusing on the chemical composition of these plants have successfully identified indol alkaloids with cytotoxic, anti-diabetic and anti-inflammatory properties. The newly discovered monomers are structurally similar to the backbones of picralin, affinisin and macrolin. On the other hand, all recently isolated dimeric compounds have a macrolin moiety. In this study, a computational analysis was performed on a series of novel molecules, including both monomeric and dimeric compounds with different structural frameworks. This investigation represents the first computational study of these molecules using an in silico approach incorporating 2D-QSAR data. The analysis involved various computational techniques, including 2D-QSAR modelling, molecular docking studies and subsequent validation by molecular dynamics simulation and assessment of ADMET properties. The chemical composition was identified by 1D and 2D NMR. Eight new alkaloids were isolated, 5 monomers and 3 dimers. In this section, we focus on the biological activity of 4 new alkaloids belonging to two different skeletons, the affinisine skeleton.

Keywords: affinisine, talcarpine, macroline, cytotoxicity, alkaloids

Procedia PDF Downloads 240