Search results for: compound model

Authors: Chandra Prayaga, Aaron Wade, Lakshmi Prayaga, Gopi Shankar Mallu

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This paper presents the use of machine learning algorithms to predict the success of students in an introductory physics course. Data having 140 rows pertaining to the performance of two batches of students was used. The lack of sufficient data to train robust machine learning models was compensated for by generating synthetic data similar to the real data. CTGAN and CTGAN with Gaussian Copula (Gaussian) were used to generate synthetic data, with the real data as input. To check the similarity between the real data and each synthetic dataset, pair plots were made. The synthetic data was used to train machine learning models using the PyCaret package. For the CTGAN data, the Ada Boost Classifier (ADA) was found to be the ML model with the best fit, whereas the CTGAN with Gaussian Copula yielded Logistic Regression (LR) as the best model. Both models were then tested for accuracy with the real data. ROC-AUC analysis was performed for all the ten classes of the target variable (Grades A, A-, B+, B, B-, C+, C, C-, D, F). The ADA model with CTGAN data showed a mean AUC score of 0.4377, but the LR model with the Gaussian data showed a mean AUC score of 0.6149. ROC-AUC plots were obtained for each Grade value separately. The LR model with Gaussian data showed consistently better AUC scores compared to the ADA model with CTGAN data, except in two cases of the Grade value, C- and A-.

Keywords: machine learning, student success, physics course, grades, synthetic data, CTGAN, gaussian copula CTGAN

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Authors: Jatuphum Ketchatturat

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Value-added assessment has been used for developing the model of monitoring and evaluation of student's learning achievement. The steps of model development consist of 1) study and analyisis of the school and the district report system of student achievement and progress, 2) collecting the data of student achievement to develop the value added indicator, 3) developing the system of value-added assessment by participatory action research approach, 4) putting the system of value-added assessment into the educational district of secondary school, 5) determining the quality of the developed system of value-added assessment. The components of the developed model consist of 1) the database of value-added assessment of student's learning achievement, 2) the process of monitoring and evaluation the student's learning achievement, and 3) the reporting system of value-added assessment of student's learning achievement.

Keywords: learning achievement, monitoring and evaluation, value-added assessment

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Authors: Turuganti Venkateswarlu, Jagadeesh Anmala

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Excessive runoffs from various non-point source land uses, and other point sources are rapidly contaminating the water quality of streams in the Upper Green River watershed, Kentucky, USA. It is essential to maintain the stream water quality as the river basin is one of the major freshwater sources in this province. It is also important to understand the water quality parameters (WQPs) quantitatively and qualitatively along with their important features as stream water is sensitive to climatic events and land-use practices. In this paper, a model was developed for predicting one of the significant WQPs, Fecal Coliform (FC) from precipitation, temperature, urban land use factor (ULUF), agricultural land use factor (ALUF), and forest land-use factor (FLUF) using Random Forest (RF) algorithm. The RF model, a novel ensemble learning algorithm, can even find out advanced feature importance characteristics from the given model inputs for different combinations. This model’s outcomes showed a good correlation between FC and climate events and land use factors (R2 = 0.94) and precipitation and temperature are the primary influencing factors for FC.

Keywords: water quality, land use factors, random forest, fecal coliform

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Authors: Samir Khene

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Present and future industrial uses of high critical temperature superconductors require high critical temperatures TC and strong current densities JC. These two aims constitute the two motivations of scientific research in this domain. The most significant feature of any superconductor, from the viewpoint of uses, is the maximum electrical transport current density that this superconductor is capable of withstanding without loss of energy. In this work, vortices pinning in conventional and high-TC superconductors will be studied. Our experiments on vortices pinning in single crystals and nanoparticles of YBₐ₂Cu₃O₇₋δ and La₁.₈₅ Sr₀.₁₅CuO will be presented. It will be given special attention to the study of the YBₐ₂Cu₃O₇₋δ nanoparticles doped by ferromagnetic nanoparticles of Y₃Fe₅O₁₂. The ferromagnetism and superconductivity coexistence in this compound will be demonstrated, and the influence of these ferromagnetic nanoparticles on the variations of the critical current density JC in YBₐ₂Cu₃O7₇₋δ nanoparticles as a function of applied field H and temperature T will be studied.

Keywords: superconductors, high critical temperature, vortices pinning, nanoparticles, ferromagnetism, coexistence

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Authors: Konstantinos Sotiriadis, Radosław Mróz

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In the present work the internal sulfate attack on pastes made from pure clinker phases was studied. Two binders were produced: (a) a binder with 2% C3A and 18% C4AF content; (b) a binder with 10% C3A and C4AF content each. Gypsum was used as the sulfate bearing compound, while calcium carbonate added to differentiate the binders produced. The phases formed were identified by XRD analysis. The results showed that ettringite was the deterioration phase detected in the case of the low C3A content binder. Carbonation occurred in the specimen without calcium carbonate addition, while portlandite was observed in the one containing calcium carbonate. In the case of the high C3A content binder, traces of thaumasite were detected when calcium carbonate was not incorporated in the binder. A solid solution of thaumasite and ettringite was found when calcium carbonate was added. The amount of C3A had not fully reacted with sulfates, since its corresponding peaks were detected.

Keywords: tricalcium aluminate, calcium aluminate ferrite, sulfate attack, calcium carbonate, low temperature

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Authors: Xiongxiong You, Zhanwen Niu

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Choosing an appropriate surrogate model plays an important role in surrogates-assisted evolutionary algorithms (SAEAs) since there are many types and different kernel functions in the surrogate model. In this paper, an adaptive selection of the best suitable surrogate model method is proposed to solve different kinds of expensive optimization problems. Firstly, according to the prediction residual error sum of square (PRESS) and different model selection strategies, the excellent individual surrogate models are integrated into multiple ensemble models in each generation. Then, based on the minimum root of mean square error (RMSE), the best suitable surrogate model is selected dynamically. Secondly, two methods with dynamic number of models and selection strategies are designed, which are used to show the influence of the number of individual models and selection strategy. Finally, some compared studies are made to deal with several commonly used benchmark problems, as well as a rotor system optimization problem. The results demonstrate the accuracy and robustness of the proposed method.

Keywords: adaptive selection, expensive optimization, rotor system, surrogates assisted evolutionary algorithms

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Authors: Paweł Stączek, Tomasz Plech, Aleksandra Strzelczyk, Katarzyna Dzitko, Monika Wujec, Edyta Kuśmierz, Piotr Paneth, Agata Paneth

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In this contribution, we will describe the inhibitory potency of nine thiosemicarbazide derivatives against bacterial type IIA topoisomerases, their antibacterial profile, and molecular modeling evaluation. We have found that one of the tested compounds, 4-benzoyl-1-(2-methyl-furan-3-ylcarbonyl) thiosemicarbazide, remarkably inhibits the activity of S. aureus DNA gyrase with the IC50 below 5 μM. Besides, this compound displays antibacterial activity on Staphylococcus spp. and E. faecalis at non-cytotoxic concentrations in mammalian cells, with minimal inhibitory concentrations (MICs) values at 25 μg/mL. Based on the enzymatic and molecular modeling studies we propose two factors, i.e. geometry of molecule and hydrophobic/hydrophilic balance as important molecular properties for developing thiosemicarbazide derivatives as potent Staphylococcus aureus DNA gyrase inhibitors.

Keywords: bioactivity, drug design, topoisomerase, molecular modeling

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Authors: E. Benga, T. Tengen, A. Alugongo

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Periodic and continuous inventory models are the two classical management tools used to handle inventories. These models have advantages and disadvantages. The implementation of both continuous (r,Q) inventory and periodic (R, S) inventory models in most manufacturing plants comes with higher cost. Such high inventory costs are due to the fact that most manufacturing plants are not flexible enough. Since demand and lead-time are two important variables of every inventory models, their effect on the flexibility of the manufacturing plant matter most. Unfortunately, these effects are not clearly understood by managers. The reason is that the decision parameters of the continuous (r, Q) inventory and periodic (R, S) inventory models are not designed to effectively deal with the issues of uncertainties such as poor manufacturing performances, delivery performance supplies performances. There is, therefore, a need to come up with a predictive and hybrid inventory model that can combine in some sense the feature of the aforementioned inventory models. A linear combination technique is used to hybridize both continuous (r, Q) inventory and periodic (R, S) inventory models. The behavior of such hybrid inventory model is described by a differential equation and then optimized. From the results obtained after simulation, the continuous (r, Q) inventory model is more effective than the periodic (R, S) inventory models in the short run, but this difference changes as time goes by. Because the hybrid inventory model is more cost effective than the continuous (r,Q) inventory and periodic (R, S) inventory models in long run, it should be implemented for strategic decisions.

Keywords: periodic inventory, continuous inventory, hybrid inventory, optimization, manufacturing plant

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Authors: Duplan Yves Jamont Junior

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The Diamond-Mortensen-Pissarides model widely used in labor economics is tailored to fishery. By this way, a fishing function is defined to depict the fishing technology, and Bellman equations are established to describe the behaviors of fishermen and conservationists. On this basis, a negotiation takes place as a Nash-bargaining over the upper limit of the fishing pressure between both political representative groups of fishermen and conservationists. The existence and uniqueness conditions of the Nash-bargained fishing pressure are established. Given the biomass evolution equation, the dynamics of the model variables (fishing pressure, biomass, fish need) is studied.

Keywords: conservation, fishery, fishing, Nash bargaining

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Authors: Kingsley Oturu, Winifred Ijomah, Wale Coker, Chibueze Achi

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With the impact of BREXIT and the need for cross-border collaboration, this international research investigated the use of a conceptual model for remanufacturing medical equipment (with a focus on anesthetic machines and baby incubators). Early findings of the research suggest that contextual factors need to be taken into consideration, as well as an emphasis on cleaning (e.g., sterilization) during the process of remanufacturing medical equipment. For example, copper tubings may be more important in the remanufacturing of anesthetic equipment in tropical climates than in cold climates.

Keywords: medical equipment remanufacture, sustainability, circular business models, remanufacture process model

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Authors: Farokh Alipour, Ali Falavand, Neda Beit Saeid

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The calculation of the effect of accidental releases of flammable materials such as LNG requires the use of a suitable consequence model. This study is due to providing a planning advice for developments in the vicinity of LNG sites and other sites handling flammable materials. In this paper, an applicable algorithm that is able to model pool fires on water is presented and applied to estimate pool fire damage zone. This procedure can be used to model pool fires on land and could be helpful in consequence modeling and domino effect zone measurements of flammable materials which is needed in site selection and plant layout.

Keywords: LNG, pool fire, spill, radiation

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Authors: Fredrick Etyang

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This paper presents a Rapid Industrialization Model (RIM) designed to support existing industrialization policies, strategies and industrial development plans at National, Regional and Constituent level in Africa. The model will reinforce efforts to attainment of inclusive and sustainable industrialization of Africa by state and non-state actors. The overall objective of this model is to serve as a framework for rapid industrialization in developing economies and the specific objectives range from supporting rapid industrialization development to promoting a structural change in the economy, a balanced regional industrial growth, achievement of local, regional and international competitiveness in areas of clear comparative advantage in industrial exports and ultimately, the RIM will serve as a step-by-step guideline for the industrialization of African Economies. This model is a product of a scientific research process underpinned by desk research through the review of African countries development plans, strategies, datasets, industrialization efforts and consultation with key informants. The rigorous research process unearthed multi-directional and renewed efforts towards industrialization of Africa premised on collective commitment of individual states, regional economic communities and the African union commission among other strategic stakeholders. It was further, established that the inputs into industrialization of Africa outshine the levels of industrial development on the continent. The RIM comes in handy to serve as step-by-step framework for African countries to follow in their industrial development efforts of transforming inputs into tangible outputs and outcomes in the short, intermediate and long-run. This model postulates three stages of industrialization and three phases toward rapid industrialization of African economies, the model is simple to understand, easily implementable and contextualizable with high return on investment for each unit invested into industrialization supported by the model. Therefore, effective implementation of the model will result into inclusive and sustainable rapid industrialization of Africa.

Keywords: economic development, industrialization, economic efficiency, exports and imports

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Authors: Samindi Samarakoon, Ørjan Sletbakk Vie, Remi Kleiven Fjelldal

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White concrete facade elements are widely used in construction industry. It is challenging to achieve the desired workability in casting of white concrete elements. Particle Matrix model was used for proportioning the self-compacting white concrete (SCWC) to control segregation and bleeding and to improve workability. The paper presents how to reach the target slump flow while controlling bleeding and segregation in SCWC. The amount of aggregates, binders and mixing water, as well as type and dosage of superplasticizer (SP) to be used are the major factors influencing the properties of SCWC. Slump flow and compressive strength tests were carried out to examine the performance of SCWC, and the results indicate that the particle matrix model could produce successfully SCWC controlling segregation and bleeding.

Keywords: white concrete, particle matrix model, mix design, construction industry

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Authors: M. Khalid, W. Rashmi, L. L. Kwan

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This work provides an overview on the experimental and numerical simulations of various nanofluids and their flow and heat transfer behavior. It was further extended to study the effect of nanoparticle concentration, fluid flow rates and thermo-physical properties on the heat transfer enhancement of Al2O3/water nanofluid in a turbulent flow circular conduit using ANSYS FLUENT™ 14.0. Single-phase approximation (homogeneous model) and two-phase (mixture and Eulerian) models were used to simulate the nanofluid flow behavior in the 3-D horizontal pipe. The numerical results were further validated with experimental correlations reported in the literature. It was found that heat transfer of nanofluids increases with increasing particle volume concentration and Reynolds number, respectively. Results showed good agreement (~9% deviation) with the experimental correlations, especially for a single-phase model with constant properties. Among two-phase models, mixture model (~14% deviation) showed better prediction compared to Eulerian-dispersed model (~18% deviation) when temperature independent properties were used. Non-drag forces were also employed in the Eulerian two-phase model. However, the two-phase mixture model with temperature dependent nanofluid properties gave slightly closer agreement (~12% deviation).

Keywords: nanofluid, CFD, heat transfer, forced convection, circular conduit

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Authors: Ferry Kurniawan

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In this paper, we nowcast quarterly output growth in Indonesia by exploiting higher frequency data (monthly indicators) using a mixed-frequency factor model and exploiting both quarterly and monthly data. Nowcasting quarterly GDP in Indonesia is particularly relevant for the central bank of Indonesia which set the policy rate in the monthly Board of Governors Meeting; whereby one of the important step is the assessment of the current state of the economy. Thus, having an accurate and up-to-date quarterly GDP nowcast every time new monthly information becomes available would clearly be of interest for central bank of Indonesia, for example, as the initial assessment of the current state of the economy -including nowcast- will be used as input for longer term forecast. We consider a small scale mixed-frequency factor model to produce nowcasts. In particular, we specify variables as year-on-year growth rates thus the relation between quarterly and monthly data is expressed in year-on-year growth rates. To assess the performance of the model, we compare the nowcasts with two other approaches: autoregressive model –which is often difficult when forecasting output growth- and Mixed Data Sampling (MIDAS) regression. In particular, both mixed frequency factor model and MIDAS nowcasts are produced by exploiting the same set of monthly indicators. Hence, we compare the nowcasts performance of the two approaches directly. To preview the results, we find that by exploiting monthly indicators using mixed-frequency factor model and MIDAS regression we improve the nowcast accuracy over a benchmark simple autoregressive model that uses only quarterly frequency data. However, it is not clear whether the MIDAS or mixed-frequency factor model is better. Neither set of nowcasts encompasses the other; suggesting that both nowcasts are valuable in nowcasting GDP but neither is sufficient. By combining the two individual nowcasts, we find that the nowcast combination not only increases the accuracy - relative to individual nowcasts- but also lowers the risk of the worst performance of the individual nowcasts.

Keywords: nowcasting, mixed-frequency data, factor model, nowcasts combination

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Authors: Lela Mirtskhulava, Mariam Khunjgurua, Nino Lomineishvili, Koba Bakuria

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Software reliability prediction gives a great opportunity to measure the software failure rate at any point throughout system test. A software reliability prediction model provides with the technique for improving reliability. Software reliability is very important factor for estimating overall system reliability, which depends on the individual component reliabilities. It differs from hardware reliability in that it reflects the design perfection. Main reason of software reliability problems is high complexity of software. Various approaches can be used to improve the reliability of software. We focus on software reliability model in this article, assuming that there is a time redundancy, the value of which (the number of repeated transmission of basic blocks) can be an optimization parameter. We consider given mathematical model in the assumption that in the system may occur not only irreversible failures, but also a failure that can be taken as self-repairing failures that significantly affect the reliability and accuracy of information transfer. Main task of the given paper is to find a time distribution function (DF) of instructions sequence transmission, which consists of random number of basic blocks. We consider the system software unreliable; the time between adjacent failures has exponential distribution.

Keywords: exponential distribution, conditional mean time to failure, distribution function, mathematical model, software reliability

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Authors: S. Tartaya, R. Bagtache, A. M. Djaballah, M. Trari

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Due to the increase in the trade of colored products and their applications in various fields such as cosmetic, food, textile, pharmaceutical industries, etc. Dyes constitute a large part of the contaminants in wastewater and cause serious damage in the environment and the aquatic system. Photocatalytic systems are highly efficient processes for treating wastewater in the presence of semiconductor photocatalysts. In this field, we report our contribution by synthesizing a potassium vanadium fluorophosphate compound KVPO4F (which is abbreviated KVPOF) by a simplified hydrothermal method at 180°C for 5 days. The as synthesized product has been characterized physically and photoelectrochemically. The indirect optical transition of 1.88 eV, determined from the diffuse reflectance, was assigned to the charge transfer. Moreover, the curve (C-2–E) of the KVPOF displayed n-type character of the semiconductor. Even more, interestingly, the photocatalytic performance was evaluated through the photo-degradation of cationic dye Methyl Violet (MV). An abatement of 61% was obtained after 6 h of irradiation under visible light.

Keywords: KVPO4F, photocatalysis, semiconductor, wastewater, environment

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Authors: Noora Al-Shanfari, M. Mazharul Islam

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The cumulative incidence function (CIF) is a fundamental approach for analyzing survival data in the presence of competing risks, which estimates the marginal probability for each competing event. Parametric modeling of CIF has the advantage of fitting various shapes of CIF and estimates the impact of covariates with maximum efficiency. To calculate the total CIF's covariate influence using a parametric model., it is essential to parametrize the baseline of the CIF. As the CIF is an improper function by nature, it is necessary to utilize an improper distribution when applying parametric models. The Gompertz distribution, which is an improper distribution, is limited in its applicability as it only accounts for monotone hazard shapes. The generalized Gompertz distribution, however, can adapt to a wider range of hazard shapes, including unimodal, bathtub, and monotonic increasing or decreasing hazard shapes. In this paper, the generalized Gompertz distribution is used to parametrize the baseline of the CIF, and the parameters of the proposed model are estimated using the maximum likelihood approach. The proposed model is compared with the existing Gompertz model using the Akaike information criterion. Appropriate statistical test procedures and model-fitting criteria will be used to test the adequacy of the model. Both models are applied to the ‘colon’ dataset, which is available in the “biostat3” package in R.

Keywords: competing risks, cumulative incidence function, improper distribution, parametric modeling, survival analysis

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Authors: Emir H. Pernet, Jeimy J. Cano

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Maturity models, used descriptively to explain changes in reality or normatively to guide managers to make interventions to make organizations more effective and efficient, are based on the principles of statistical quality control promulgated by Shewhart in the years 30, and on the principles of PDCA continuous improvement (Plan, Do, Check, Act) developed by Deming and Juran. Some frameworks developed over the concept of maturity models includes COBIT, CMM, and ITIL. This paper presents some limitations of traditional maturity models, most of them based on points of reflection and analysis done by some authors. Almost all limitations are related to the mechanistic and reductionist approach of the principles over those models are built. As Systems Theory helps the understanding of the dynamics of organizations and organizational change, the development of a systemic maturity model can help to overcome some of those limitations. This document proposes a systemic maturity model, based on a systemic conceptualization of organizations, focused on the study of the functioning of the parties, the relationships among them, and their behavior as a whole. The concept of maturity from the system theory perspective is conceptually defined as an emergent property of the organization, which arises from as a result of the degree of alignment and integration of their processes. This concept is operationalized through a systemic function that measures the maturity of an organization, and finally validated by the measuring of maturity in organizations. For its operationalization and validation, the model was applied to measure the maturity of organizational Governance, Risk and Compliance (GRC) processes.

Keywords: GRC, maturity model, systems theory, viable system model

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Authors: Nitin Ghule, S. G. Taji

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A mathematical model of hot-wall condensers used in refrigerators is presented. The model predicts the heat transfer characteristics of condenser and the effects of various design and operating parameters on condenser tube length and capacity. A finite element approach was used to model the condenser. The condenser tube is divided into elemental units, with each element consisting of adhesive tape, refrigerant tube and outer metal sheet. The heat transfer characteristics of each section are then analyzed by considering the heat transfer through the tube wall, tape and the outer sheet. Variations in inner heat transfer coefficient and pressure drop are considered depending on temperature, fluid phase, type of flow and orientation of tube. Variation in outer heat transfer coefficient is also taken into account. Various materials were analysed for the tube, tape and outer sheet.

Keywords: condenser, domestic refrigerator, heat transfer, mathematical model

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Authors: Salima Kerai, Muhammad Islam, Uzma Khan, Nargis Asad, Junaid Razzak, Omrana Pasha

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Background: Pre-hospital care providers are exposed to various kinds of stressors. Their daily exposure to diverse critical and traumatic incidents can lead to stress reactions like Post-Traumatic Stress Disorder (PTSD). Consequences of PTSD in terms of work loss can be catastrophic because of its compound effect on families, which affect them economically, socially and emotionally. Therefore, it is critical to assess the association between PTSD and Work performance in Emergency Medical Service (EMS) if exist any. Methods: This prospective observational study was carried out at AMAN EMS in Karachi, Pakistan. EMS personnel were screened for potential PTSD using impact of event scale-revised (IES-R). Work performance was assessed on basis of five variables; number of late arrivals to work, number of days absent, number of days sick, adherence to protocol and patient satisfaction survey over the period of 3 months. In order to model outcomes like number of late arrivals to work, days absent and days late; negative binomial regression was used whereas logistic regression was applied for adherence to protocol and linear for patient satisfaction scores. Results: Out of 536 EMS personnel, 525 were found to be eligible, of them 518 consented. However data on 507 were included because 7 left the job during study period. The mean score of PTSD was found to be 24.0 ± 12.2. However, weak and insignificant association was found between PTSD and work performance measures: number of late arrivals (RRadj 0.99; 95% CI 0.98-1.00), days absent (RRadj 0.98; 95% CI 0.96-0.99), days sick (Rradj 0.99; 95% CI 0.98 to 1.00), adherence to protocol (ORadj 1.01: 95% CI 0.99 to 1.04) and patient satisfaction (0.001% score; 95% CI -0.03% to 0.03%). Conclusion: No association was found between PTSD and Work performance in the selected EMS population in Karachi Pakistan. Further studies are needed to explore the phenomenon of resiliency in these populations. Moreover, qualitative work is required to explore perceptions and feelings like willingness to go to work, readiness to carry out job responsibilities.

Keywords: trauma, emergency medical service, stress, pakistan

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Authors: O. Benabdeljelil, A. Karioun, S. Amami, R. Rouger, M. Hamidine

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A model for preventing the risks related to climate conditions in the agricultural sector is presented. It will determine the yearly optimum premium to be paid by a producer in order to reach his required turnover. The model is based on both climatic stability and 'soft' responses of usually grown species to average climate variations at the same place and inside a safety ball which can be determined from past meteorological data. This allows the use of linear regression expression for dependence of production result in terms of driving meteorological parameters, the main ones of which are daily average sunlight, rainfall and temperature. By simple best parameter fit from the expert table drawn with professionals, optimal representation of yearly production is determined from records of previous years, and yearly payback is evaluated from minimum yearly produced turnover. The model also requires accurate pricing of commodity at N+1. Therefore, a pricing model is developed using 3 state variables, namely the spot price, the difference between the mean-term and the long-term forward price, and the long-term structure of the model. The use of historical data enables to calibrate the parameters of state variables, and allows the pricing of commodity. Application to beet sugar underlines pricer precision. Indeed, the percentage of accuracy between computed result and real world is 99,5%. Optimal premium is then deduced and gives the producer a useful bound for negotiating an offer by insurance companies to effectively protect its harvest. The application to beet production in French Oise department illustrates the reliability of present model with as low as 6% difference between predicted and real data. The model can be adapted to almost any agricultural field by changing state parameters and calibrating their associated coefficients.

Keywords: agriculture, production model, optimal price, meteorological factors, 3-factor model, parameter calibration, forward price

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Authors: Rahma Tibigui, Ikram Hadj Said, Rachid Belkada, Dalila Hammoutene

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The vulnerability of industrial facilities is highly concerned with multiple risks from corrosion. The commonly adopted solution is based on the use of organic inhibitors, which are gradually being replaced by environmentally friendly organic inhibitors. In our work, we carried out a quantum chemical study based on the Density Functional Theory (DFT) method at the B3LYP/6-311G (d,p) level of theory. The inhibitory performance of a derivative of the tetrazole molecule has been investigated and reported as a carbon steel-friendly corrosion inhibitor in hydrochloric acid (HCl) medium. The relationship is likely to exist between the molecular structure of this compound as well as its various global reactivity descriptors, and its corrosion inhibition efficiency, which was examined and then discussed. The results show low values of ΔE, which represent strong adsorption of the inhibitor on the steel surface. Moreover, the flat adsorption orientation confirmed the great ability to donate (accept) electrons to (from) steel, fabricating an anchored barrier to prevent steel from corrosion.

Keywords: eco-friendly, corrosion inhibitors, tetrazole, DFT

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Authors: Elham Sharifineyestani, Mohammad Farshchin

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Tropical cyclones are one of the most expensive and deadliest natural disasters. They cause heavy rainfall and serious flash flooding that result in billions of dollars of damage and considerable mortality each year in the United States. Prediction of the frequency of tropical cyclone-induced rainfall events can be helpful in emergency planning and flood risk management. In this study, we have developed a machine-learning model to predict the exceedance frequencies of tropical cyclone-induced rainfall events in the United States. Model results show a satisfactory agreement with available observations. To examine the effectiveness of our approach, we also have compared the result of our predictions with the exceedance frequencies predicted using a physics-based rainfall model by Feldmann.

Keywords: flash flooding, tropical cyclones, frequencies, machine learning, risk management

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Authors: Yudhajit Datta

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Will is a phenomenon that has puzzled humanity for a long time. It is a belief that Will Power of an individual affects the success achieved by an individual in life. It is thought that a person endowed with great will power can overcome even the most crippling setbacks of life while a person with a weak will cannot make the most of life even the greatest assets. Behavioral aspects of the human experience such as will are rarely subjected to quantitative study owing to the numerous uncontrollable parameters involved. This work is an attempt to subject the phenomena of will to the test of an artificial neural network. The claim being tested is that will power of an individual largely determines success achieved in life. In the study, an attempt is made to incorporate the behavioral phenomenon of will into a computational model using data pertaining to the success of individuals obtained from an experiment. A neural network is to be trained using data based upon part of the model, and subsequently used to make predictions regarding will corresponding to data points of success. If the prediction is in agreement with the model values, the model is to be retained as a candidate. Ultimately, the best-fit model from among the many different candidates is to be selected, and used for studying the correlation between success and will.

Keywords: will power, will, success, apathy factor, random factor, characteristic function, life story

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Authors: Jan Barak, Karel Frana, Joerg Stiller

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This work presents results of moist air condensation in heat exchanger. It describes theoretical knowledge and definition of moist air. Model with geometry of square canal was created for better understanding and post processing of condensation phenomena. Different approaches were examined on this model to find suitable software and model. Obtained knowledge was applied to geometry of real heat exchanger and results from experiment were compared with numerical results. One of the goals is to solve this issue without creating any user defined function in the applied code. It also contains summary of knowledge and outlook for future work.

Keywords: condensation, exchanger, experiment, validation

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Authors: Devender Mandala, Paul Watts

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Cis-Nucleosides mainly lamivudine (3TC) and emtricitabine (FTC) are an important tool in the treatment of Human immune deficiency virus (HIV), Hepatitis B virus (HBV) and Human T-Lymotropoic virus (HTLV). Lamivudine and emtricitabine are potent nucleoside analog reverse transcriptase inhibitors (nRTI). These two drugs are synthesized by a four-stage process from the starting materials: menthyl glyoxylate hydrate and 1,4-dithane-2,5-diol to produce the 5-hydroxy oxathiolane which upon acetylation with acetic anhydride to yield 5-acetoxy oxathiolane. Then glycosylation of this acetyl product with silyl protected nucleoside to produce the intermediate. The reduction of this intermediates can provide the final targets. Although there are several different methods reported for the synthesis of lamivudine and emtricitabine as a single enantiomer, we required an efficient route, which was suitable for large-scale synthesis to support the development of these compounds. In this process, we successfully prepared the intermediates of lamivudine and emtricitabine without using any solvents and catalyst, thus promoting the green synthesis. All the synthesized compound were confirmed by TLC, GC, Mass, NMR and 13C NMR spectroscopy.

Keywords: emtricitabine, green synthesis, lamivudine, nucleoside

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Authors: Ali Abbas

Abstract:

This paper presents a descriptive model of organizational misconduct based on observed patterns that occur before and after an ethical collapse. The patterns were classified by categorizing media articles in both "for-profit" and "not-for-profit" organizations. Based on the model parameters, the paper provides a descriptive model of various organizational deflection strategies under numerous scenarios, including situations where ethical complaints build-up, situations under which whistleblowers become more prevalent, situations where large scandals that relate to leadership occur, and strategies by which organizations deflect blame when pressure builds up or when media finds out. The model parameters start with the premise of a tolerance to double standards in unethical acts when conducted by leadership or by members of corporate governance. Following this premise, the model explains how organizations engage in discursive strategies to cover up the potential conflicts that arise, including secret agreements and weakening stakeholders who may oppose the organizational acts. Deflection strategies include "preemptive" and "post-complaint" secret agreements, absence of (or vague) documented procedures, engaging in blame and scapegoating, remaining silent on complaints until the media finds out, as well as being slow (if at all) to acknowledge misconduct and fast to cover it up. The results of this paper may be used to guide organizational leaders into the implications of such shortsighted strategies toward unethical acts, even if they are deemed legal. Validation of the model assumptions through numerous media articles is provided.

Keywords: ethical decision making, prediction, scandals, organizational strategies

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Authors: Ahmet Karakuş, Akif Can Kilic, Emre Alptekin

Abstract:

A growing number of studies have been conducted to determine how well-being may be predicted using well-designed models. It is necessary to investigate the backgrounds of features in order to construct a viable Subjective Well-Being (SWB) model. We have picked the suitable variables from the literature on SWB that are acceptable for real-world data instructions. The goal of this work is to evaluate the model by feeding it with SWB characteristics and then categorizing the stress levels using machine learning methods to see how well it performs on a real dataset. Despite the fact that it is a multiclass classification issue, we have achieved significant metric scores, which may be taken into account for a specific task.

Keywords: machine learning, multiclassification problem, subjective well-being, perceived stress scale

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Authors: Fehmi Bouguezzi

Abstract:

This paper studies optimal licensing regimes in a linear Hotelling model where firms are located at the end points of the city and where the transportation cost is not linear but quadratic. We study for that a more general cost function and we try to compare the findings with the results of the linear cost. We find the same optimal licensing regimes. A per unit royalty is optimal when innovation is not drastic and no licensing is better when innovation is drastic. We also find that no licensing is always better than fixed fee licensing.

Keywords: Hotelling model, technology transfer, patent licensing, quadratic transportation cost

Procedia PDF Downloads 349