Search results for: pharmacophore model

Authors: Alia Abdul Ghaffar, Tom Richardson

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A model reference adaptive control and a fixed gain LQR control were implemented in the height controller of a quadrotor that has parametric uncertainties due to the act of picking up an object of unknown dimension and mass. It is shown that an adaptive control, unlike a fixed gain control, is capable of ensuring a stable tracking performance under such condition, although adaptive control suffers from several limitations. The combination of both adaptive and fixed gain control in the controller architecture results in an enhanced tracking performance in the presence of parametric uncertainties.

Keywords: UAV, quadrotor, robotic arm augmentation, model reference adaptive control, LQR control

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Authors: Manish Gupta

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Following the E-Commerce era, M-Commerce is the next big phase in the technology involvement and advancement. This paper intends to explore how Indian consumers are influenced to adopt the M-commerce. In this paper, the revised Technology Acceptance Model (TAM) has been presented on the basis of the most dominant factors that affect the adoption of M-Commerce in Indian scenario. Furthermore, an analytical questionnaire approach was carried out to collect data from Indian consumers. These collected data were further used for the validation of the presented model. Findings indicate that customization, convenience, instant connectivity, compatibility, security, download speed in M-Commerce affect the adoption behavior. Furthermore, the findings suggest that perceived usefulness and attitude towards M-Commerce are positively influenced by number of M-Commerce drivers (i.e. download speed, compatibility, convenience, security, customization, connectivity, and input mechanism).

Keywords: M-Commerce, perceived usefulness, technology acceptance model, perceived ease of use

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Authors: Shir Daphna-Tekoah, Nurit Eitan-Gutman, Uri Balla

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Background: Systemic documentation is essential in social work practice. Collaboration between an institution of higher education and social work health care services enabled adaptation of the medical documentation model of SOAP in the field of social work, by creating the ISOAPS model (Introduction, Subjective, Objective, Assessment, Plan, Summary) model. Aims: The article describes the ISOAPS model and its implementation in the field of social work, as a tool for standardization of documentation and the enhancement of multidisciplinary collaboration. Methods: We examined the changes in standardization using a mixed methods study, both before and after implementation of the model. A review of social workers’ documentation was carried out by medical staff and social workers in the Clalit Healthcare Services, the largest provider of public and semi-private health services in Israel. After implementation of the model, semi-structured qualitative interviews were undertaken. Main findings: The percentage of reviewers who evaluated their documentation as correct increased from 46%, prior to implementation, to 61% after implementation. After implementation, 81% of the social workers noted that their documentation had become standardized. The training process prepared them for the change in documentation and most of them (83%) started using the model on a regular basis. The qualitative data indicate that the use of the ISOAPS model creates uniform documentation, improves standards and is important to teach social work students. Conclusions: The ISOAPS model standardizes documentation and promotes communication between social workers and medical staffs. Implications for practice: In the intricate realm of healthcare, efficient documentation systems are pivotal to ensuring coherent interdisciplinary communication and patient care. The ISOAPS model emerges as a quintessential instrument, meticulously tailored to the nuances of social work documentation. While it extends its utility across the broad spectrum of social work, its specificity is most pronounced in the medical domain. This model not only exemplifies rigorous academic and professional standards but also serves as a testament to the potential of contextualized documentation systems in elevating the overall stature of social work within healthcare. Such a strategic documentation tool can not only streamline the intricate processes inherent in medical social work but also underscore the indispensable role that social workers play in the broader healthcare ecosystem.

Keywords: ISOAPS, professional documentation, medial social-work, social work

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Authors: P. V. Pramila , V. Mahesh

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Pulmonary Function Tests are important non-invasive diagnostic tests to assess respiratory impairments and provides quantifiable measures of lung function. Spirometry is the most frequently used measure of lung function and plays an essential role in the diagnosis and management of pulmonary diseases. However, the test requires considerable patient effort and cooperation, markedly related to the age of patients esulting in incomplete data sets. This paper presents, a nonlinear model built using Multivariate adaptive regression splines and Random forest regression model to predict the missing spirometric features. Random forest based feature selection is used to enhance both the generalization capability and the model interpretability. In the present study, flow-volume data are recorded for N= 198 subjects. The ranked order of feature importance index calculated by the random forests model shows that the spirometric features FVC, FEF 25, PEF,FEF 25-75, FEF50, and the demographic parameter height are the important descriptors. A comparison of performance assessment of both models prove that, the prediction ability of MARS with the `top two ranked features namely the FVC and FEF 25 is higher, yielding a model fit of R2= 0.96 and R2= 0.99 for normal and abnormal subjects. The Root Mean Square Error analysis of the RF model and the MARS model also shows that the latter is capable of predicting the missing values of FEV1 with a notably lower error value of 0.0191 (normal subjects) and 0.0106 (abnormal subjects). It is concluded that combining feature selection with a prediction model provides a minimum subset of predominant features to train the model, yielding better prediction performance. This analysis can assist clinicians with a intelligence support system in the medical diagnosis and improvement of clinical care.

Keywords: FEV, multivariate adaptive regression splines pulmonary function test, random forest

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Authors: S. Hasan, I. Beshara

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Infrastructure maintenance is a great challenge facing sustainable development of infrastructure assets due to the high cost of passive implementation of a sustainable maintenance plan. An assessment model of sustainable maintenance for highway infrastructure projects in Egypt is developed in this paper. It helps in improving the implementation of sustainable maintenance criteria. Thus, this paper has applied the analytical hierarchy processes (AHP) to rank and explore the weight of 26 assessment indicators using three hierarchy levels containing the main sustainable categories and subcategories with related indicators. Overall combined weight of each indicator for sustainable maintenance evaluation has been calculated to sum up to a sustainable maintenance performance index (SMI). The results show that the factor "Preventive maintenance cost" has the highest relative contribution factor among others (13.5%), while two factors of environmental performance have the least weights (0.7%). The developed model aims to provide decision makers with information about current maintenance performance and support them in the decision-making process regarding future directions of maintenance activities. It can be used as an assessment performance tool during the operation and maintenance stage. The developed indicators can be considered during designing the maintenance plan. Practices for successful implementation of the model are also presented.

Keywords: analytical hierarchy process, assessment performance Model, KPIs for sustainable maintenance, sustainable maintenance index

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Authors: Ge Zheng, Jun Peng

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Unbalanced power output from individual cells of Proton Exchange Membrane Fuel Cell (PEMFC) has direct effects on PEMFC stack performance, in particular under transient operation. In the paper, a multi-layer ANN (Artificial Neural Network) model Radial Basis Functions (RBF) has been developed for predicting cells' output profiles by applying gas supply parameters, cooling conditions, temperature measurement of individual cells, etc. The feed-forward ANN model was validated with experimental data. Influence of relevant parameters of RBF on the network accuracy was investigated. After adequate model training, the modelling results show good correspondence between actual measurements and reconstructed output profiles. Finally, after the model was used to optimize the stack output performance under steady-state and transient operating conditions, it suggested that the developed ANN control model can help PEMFC stack to have obvious improvement on power output under fast acceleration process.

Keywords: proton exchange membrane fuel cell, PEMFC, artificial neural network, ANN, cell output profile, transient

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Authors: Ammar Alsabery, Habibis Saleh, Norazam Arbin, Ishak Hashim

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Unsteady natural convection and heat transfer in a square cavity partially filled with porous media using a thermal non-equilibrium model is studied in this paper. The left vertical wall is maintained at a constant hot temperature and the right vertical wall is maintained at a constant cold temperature, while the horizontal walls are adiabatic. The governing equations are obtained by applying the Darcy model and Boussinesq approximation. COMSOL's finite element method is used to solve the non-dimensional governing equations together with specified boundary conditions. The governing parameters of this study are the Rayleigh number, the modified thermal conductivity ratio, the inter-phase heat transfer coefficien and the time independent. The results presented for values of the governing parameters in terms of streamlines in both fluid/porous layer, isotherms of fluid and solid porous layer, isotherms of fluid layer, and average Nusselt number.

Keywords: unsteady natural convection, thermal non-equilibrium model, Darcy model

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Authors: Aamir Mubashar, Ibrahim Fiaz

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This research presents a three-dimensional finite element modelling strategy to simulate damage in a quasi-static three-point bending analysis of woven twill 2/2 type carbon fibre reinforced plastic (CFRP) composite on a micro-meso level using cohesive zone modelling technique. A meso scale finite element model comprised of a number of plies was developed in the commercial finite element code Abaqus/explicit. The interfaces between the plies were explicitly modelled using cohesive zone elements to allow for debonding by crack initiation and propagation. Load-deflection response of the CRFP within the quasi-static range was obtained and compared with the data existing in the literature. This provided validation of the model at the global scale. The outputs resulting from the global model were then used to develop a simulation model capturing the micro-meso scale material features. The sub-model consisted of a refined mesh representative volume element (RVE) modelled in texgen software, which was later embedded with cohesive elements in the finite element software environment. The results obtained from the developed strategy were successful in predicting the overall load-deflection response and the damage in global and sub-model at the flexure limit of the specimen. Detailed analysis of the effects of the micro-scale features was carried out.

Keywords: woven composites, multi-scale modelling, cohesive zone, finite element model

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Authors: Mustafa Yildiz, Ali Sinan Soganci

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Pumice soils are countered in many projects such as transportation roads, channels and residential units throughout the World. The pumice deposits are characterized by the vesicular nature of their particles. When the pumice soils are evaluated considering the geotechnical viewpoint, they differ from silica sands in terms of physical and engineering characteristics. These differences are low grain strength, high friction angle, void ratio and compressibility. At stresses greater than a few hundred kPa, the stress-strain-strength behaviour of these soils is determined by particle crushing. Particle crushing leads to changes in the density and reduction in the components of shear stress due to expansion. In this study, the bearing capacity and behaviour of granular pumice soils compared to sand-gravels were investigated by laboratory model tests. Firstly the geotechnical properties of granular pumice soils were determined; then, the behaviour of pumice soils with an equivalent diameter of sand and gravel soils were investigated by model rectangular and circular foundation types and were compared with each other. For this purpose, basic types of model footing (15*15 cm, 20*20 cm, Φ=15 cm and Φ=20 cm) have been selected. When the experimental results of model bearing capacity are analyzed, the values of sand and gravel bearing capacity tests were found to be 1.0-1.5 times higher than the bearing capacity of pumice the same size. This fact has shown that sand and gravel have a higher bearing capacity than pumice of the similar particle sizes.

Keywords: pumice soils, laboratory model tests, bearing capacity, laboratory model tests, Nevşehir

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Authors: Petr Gurný

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One of the most important tasks in the risk management is the correct determination of probability of default (PD) of particular financial subjects. In this paper a possibility of determination of financial institution’s PD according to the credit-scoring models is discussed. The paper is divided into the two parts. The first part is devoted to the estimation of the three different models (based on the linear discriminant analysis, logit regression and probit regression) from the sample of almost three hundred US commercial banks. Afterwards these models are compared and verified on the control sample with the view to choose the best one. The second part of the paper is aimed at the application of the chosen model on the portfolio of three key Czech banks to estimate their present financial stability. However, it is not less important to be able to estimate the evolution of PD in the future. For this reason, the second task in this paper is to estimate the probability distribution of the future PD for the Czech banks. So, there are sampled randomly the values of particular indicators and estimated the PDs’ distribution, while it’s assumed that the indicators are distributed according to the multidimensional subordinated Lévy model (Variance Gamma model and Normal Inverse Gaussian model, particularly). Although the obtained results show that all banks are relatively healthy, there is still high chance that “a financial crisis” will occur, at least in terms of probability. This is indicated by estimation of the various quantiles in the estimated distributions. Finally, it should be noted that the applicability of the estimated model (with respect to the used data) is limited to the recessionary phase of the financial market.

Keywords: credit-scoring models, multidimensional subordinated Lévy model, probability of default

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Authors: U. Chattaraj, K. Dhusiya, M. Raviteja

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Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.

Keywords: driver, fuzzy logic, perception reaction time, premise variable

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Authors: Paul C. Njoku, Archana Swati Njoku

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The study deals with the development of a mathematical model to characterize the oil production in Nigeria. This is calculated by initiating the dynamics of oil production in million barrels revenue plan cost of oil production in million nairas and unit cost of production from 1974-1982 in the contest of the federal Republic of Nigeria. This country export oil to other countries as well as importing specialized crude. The transport network from origin/destination tij to pairs is taking into account simulation runs, optimization have been considered in this study.

Keywords: mathematical oil model development dynamics, Nigeria, characterization barrels, dynamics of oil production

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Authors: Tithdanin Chav, Phichhang Ou

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The study is about the e-banking consumer behavior of five major banks in Cambodia. This work aims to examine the relationships among job relevance, trust, mobility, perceived ease of use, perceived usefulness, attitude toward using, and intention to use of internet banking and apps. Also, the research develops and tests a conceptual model of intention to use internet banking by integrating the Technology Acceptance Model (TAM) and job relevance, trust, and mobility which were supported by Theory of Reasoned Action (TRA) and Theory of Planned Behavior (TPB). The proposed model was tested using Structural Equation Modeling (SEM), which was processed by using SPSS and AMOS with a sample size of 250 e-banking users. The results showed that there is a significant positive relationship among variables and attitudes toward using internet banking, and apps are the most factor influencing consumers’ intention to use internet banking and apps with the importance level in SEM 0.82 accounted by 82%. Significantly, all six hypotheses were accepted.

Keywords: bank apps, consumer intention, internet banking, technology acceptance model, TAM

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Authors: Pawel Magryta, Tytus Tulwin, Paweł Karpiński

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The ASz62IR engine is a radial aircraft engine with 9 cylinders. This object is produced by the Polish company WSK "PZL-KALISZ" S.A. This is engine is currently being developed by the above company and Lublin University of Technology. In order to provide an effective work of the technological development of this unit it was decided to made the simulation model. The model of ASz-62IR was developed with AVL BOOST software which is a tool dedicated to the one-dimensional modeling of internal combustion engines. This model can be used to calculate parameters of an air and fuel flow in an intake system including charging devices as well as combustion and exhaust flow to the environment. The main purpose of this model is the analysis of the charge exchange and mixture formation in this engine. For this purpose, the model consists of elements such: as air inlet, throttle system, compressor connector, charging compressor, inlet pipes and injectors, outlet pipes, fuel injection and model of fuel mixing and evaporation. The model of charge exchange and mixture formation was based on the model of mass flow rate in intake and exhaust pipes, and also on the calculation of gas properties values like gas constant or thermal capacity. This model was based on the equations to describe isentropic flow. The energy equation to describe flow under steady conditions was transformed into the mass flow equation. In the model the flow coefficient μσ was used, that varies with the stroke/valve opening and was determined in a steady flow state. The geometry of the inlet channels and other key components was mapped with reference to the technical documentation of the engine and empirical measurements of the structure elements. The volume of elements on the charge flow path between the air inlet and the exhaust outlet was measured by the CAD mapping of the structure. Taken from the technical documentation, the original characteristics of the compressor engine was entered into the model. Additionally, the model uses a general model for the transport of chemical compounds of the mixture. There are 7 compounds used, i.e. fuel, O2, N2, CO2, H2O, CO, H2. A gasoline fuel of a calorific value of 43.5 MJ/kg and an air mass fraction for stoichiometric mixture of 14.5 were used. Indirect injection into the intake manifold is used in this model. The model assumes the following simplifications: the mixture is homogenous at the beginning of combustion, accordingly, mixture stoichiometric coefficient A/F remains constant during combustion, combusted and non-combusted charges show identical pressures and temperatures although their compositions change. As a result of the simulation studies based on the model described above, the basic parameters of combustion process, charge exchange, mixture formation in cylinders were obtained. The AVL Boost software is very useful for the piston engine performance simulations. This work has been financed by the Polish National Centre for Research and Development, INNOLOT, under Grant Agreement No. INNOLOT/I/1/NCBR/2013.

Keywords: aviation propulsion, AVL Boost, engine model, charge exchange, mixture formation

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Authors: Michael Danilov, Sergei Iskakov, Vladimir Mazurenko

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The present paper describes a high-performance parallel realization of an exact diagonalization solver for quantum-electron models in a shared memory computing system. The proposed algorithm contains a storage format for efficient computing eigenvalues and eigenvectors of a quantum electron Hamiltonian matrix. The results of the test calculations carried out for 15 sites Hubbard model demonstrate reduction in the required memory and good multiprocessor scalability, while maintaining performance of the same order as compressed row storage.

Keywords: sparse matrix, compressed format, Hubbard model, Anderson model

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Authors: Samiah Alammari, Nassim Ammour

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When providing a massive number of tasks successively to a deep learning process, a good performance of the model requires preserving the previous tasks data to retrain the model for each upcoming classification. Otherwise, the model performs poorly due to the catastrophic forgetting phenomenon. To overcome this shortcoming, we developed a successful continual learning deep model for remote sensing hyperspectral image regions classification. The proposed neural network architecture encapsulates two trainable subnetworks. The first module adapts its weights by minimizing the discrimination error between the land-cover classes during the new task learning, and the second module tries to learn how to replicate the data of the previous tasks by discovering the latent data structure of the new task dataset. We conduct experiments on HSI dataset Indian Pines. The results confirm the capability of the proposed method.

Keywords: continual learning, data reconstruction, remote sensing, hyperspectral image segmentation

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Authors: Hycham Aboutaleb, Bruno Monsuez

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Current systems' complexity has reached a degree that requires addressing conception and design issues while taking into account environmental, operational, social, legal, and financial aspects. Therefore, one of the main challenges is the way complex systems are specified and designed. The exponentially growing effort, cost, and time investment of complex systems in modeling phase emphasize the need for a paradigm, a framework, and an environment to handle the system model complexity. For that, it is necessary to understand the expectations of the human user of the model and his limits. This paper presents a generic framework for designing complex systems, highlights the requirements a system model needs to fulfill to meet human user expectations, and suggests a graph-based formalism for modeling complex systems. Finally, a set of transformations are defined to handle the model complexity.

Keywords: higraph-based, formalism, system engineering paradigm, modeling requirements, graph-based transformations

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Authors: Nahlah Abbas, Saleh A. Wasimi, Nadhir Al-Ansari

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The Greater Zab and Lesser Zab are the major tributaries of Tigris River contributing the largest flow volumes into the river. The impacts of climate change on water resources in these basins have not been well addressed. To gain a better understanding of the effects of climate change on water resources of the study area in near future (2049-2069) as well as in distant future (2080-2099), Soil and Water Assessment Tool (SWAT) was applied. The model was first calibrated for the period from 1979 to 2004 to test its suitability in describing the hydrological processes in the basins. The SWAT model showed a good performance in simulating streamflow. The calibrated model was then used to evaluate the impacts of climate change on water resources. Six general circulation models (GCMs) from phase five of the Coupled Model Intercomparison Project (CMIP5) under three Representative Concentration Pathways (RCPs) RCP 2.6, RCP 4.5, and RCP 8.5 for periods of 2049-2069 and 2080-2099 were used to project the climate change impacts on these basins. The results demonstrated a significant decline in water resources availability in the future.

Keywords: Tigris River, climate change, water resources, SWAT

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Authors: Rafael Zhindon Almeida

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Surface water quality is an important concern for the evaluation and prediction of water quality conditions. The objective of this study is to develop a statistical model that can accurately predict the water quality of the El Macho estuary in the city of Machala, El Oro province. The methodology employed in this study is of a basic type that involves a thorough search for theoretical foundations to improve the understanding of statistical modeling for water quality analysis. The research design is correlational, using a multivariate statistical model involving multiple linear regression and principal component analysis. The results indicate that water quality parameters such as fecal coliforms, biochemical oxygen demand, chemical oxygen demand, iron and dissolved oxygen exceed the allowable limits. The water of the El Macho estuary is determined to be below the required water quality criteria. The multiple linear regression model, based on chemical oxygen demand and total dissolved solids, explains 99.9% of the variance of the dependent variable. In addition, principal component analysis shows that the model has an explanatory power of 86.242%. The study successfully developed a statistical model to evaluate the water quality of the El Macho estuary. The estuary did not meet the water quality criteria, with several parameters exceeding the allowable limits. The multiple linear regression model and principal component analysis provide valuable information on the relationship between the various water quality parameters. The findings of the study emphasize the need for immediate action to improve the water quality of the El Macho estuary to ensure the preservation and protection of this valuable natural resource.

Keywords: statistical modeling, water quality, multiple linear regression, principal components, statistical models

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Authors: Weera Weerasophon

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This research paper is to study the development of a management model for promoting sustainable tourism of Rajabhat universities in Thailand. Mixed Method Research is applied under the said topic. The researcher has developed a management model to promote sustainable tourism. The objectives of the research are 1) to study the readiness in management sustainable tourism of Rajabhat universities in Thailand 2) to develop a management model for promoting sustainable tourism of those universities. The process of this research is organized in two steps according to the objectives. The results of the research are as in the following: 1. Rajabhat universities have the readiness in management for promoting sustainable tourism. The universities can be developed to be sustainable tourist attraction under the admistrators who have vision and realize the importance of tourism, eager to promote sustainable tourism of the universities by specifying obvious policy plans and management. 2. The management model for promoting sustainable tourism of Rajabhat universities is consisted of the main following factors : 2.1 Master plan and policy, 2.2 Rajabhat universities organization management and personnel administration, 2.3 Assignment and authority, leadership, 2.4 Join network, 2.5 Assurance of quality and controlling, 2.6 Budget management, 2.7 Human Resources management, 2.8 Alliance and co-ordination, 2.9 Tool of marketing. There are also other communal factors for promoting sustainable tourism. They are: local communities, local communities, tourism activities, government and private sectors, communicative technology system, history, tourist attractive, art and culture, internal and external environment including local wisdom heritage. The management model for promoting sustainable tourism can be concluded from these main and communal factors mentioned above.

Keywords: tourism, sustainable tourism, management, Rajabhat University

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Authors: Yunyong Guo, Man Wang, Bryan Guo, Nathan Guo

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This paper introduces an advanced security and privacy model tailored for Telehealth systems, emphasizing end-to-end protection across IoT, Fog, and Cloud components. The proposed model integrates encryption, key management, intrusion detection, and privacy-preserving measures to safeguard patient data. A comprehensive simulation study evaluates the model's effectiveness in scenarios such as unauthorized access, physical breaches, and insider threats. Results indicate notable success in detecting and mitigating threats yet underscore areas for refinement. The study contributes insights into the intricate balance between security and usability in Telehealth environments, setting the stage for continued advancements.

Keywords: cloud, enhancing security, fog, IoT, telehealth

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Authors: Kai Jin, Hua Li, Qing Song

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Homeland security and border safety is an issue for any country. This paper takes the border security of US as an example to discuss the usage and efficiency of simulation tools in the homeland security application. In this study, available resources and different illegal infiltration parameters are defined, including their individual behavior and objective, in order to develop a model that describes border patrol system. A simulation model is created in Arena. This simulation model is used to study the dynamic activities in the border security. Possible factors that may affect the effectiveness of the border patrol system are proposed. Individual and factorial analysis of these factors is conducted and some suggestions are made.

Keywords: resource optimization, simulation, modeling, border security

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Authors: Monica Lia

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This article presents a customer data analysis model using business intelligence tools for data modelling, transforming, data visualization and dynamic reports building. Economic organizational customer’s analysis is made based on the information from the transactional systems of the organization. The paper presents how to develop the data model starting for the data that companies have inside their own operational systems. The owned data can be transformed into useful information about customers using business intelligence tool. For a mature market, knowing the information inside the data and making forecast for strategic decision become more important. Business Intelligence tools are used in business organization as support for decision-making.

Keywords: customer analysis, business intelligence, data warehouse, data mining, decisions, self-service reports, interactive visual analysis, and dynamic dashboards, use cases diagram, process modelling, logical data model, data mart, ETL, star schema, OLAP, data universes

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Authors: Monika Chuchro

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This paper presents a preliminary attempt to apply classification of time series using meta-clusters in order to improve the quality of regression models. In this case, clustering was performed as a method to obtain a subgroups of time series data with normal distribution from inflow into waste water treatment plant data which Composed of several groups differing by mean value. Two simple algorithms: K-mean and EM were chosen as a clustering method. The rand index was used to measure the similarity. After simple meta-clustering, regression model was performed for each subgroups. The final model was a sum of subgroups models. The quality of obtained model was compared with the regression model made using the same explanatory variables but with no clustering of data. Results were compared by determination coefficient (R2), measure of prediction accuracy mean absolute percentage error (MAPE) and comparison on linear chart. Preliminary results allows to foresee the potential of the presented technique.

Keywords: clustering, data analysis, data mining, predictive models

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Authors: Mohamed Abd Esselem Dems, Souhila Laib, Nadjia Latelli, Nadia Ouddai

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In this work, we have developed QSAR model for Relative Binding Affinity (RBA) of a large diverse set of estradiol among these derivatives, the organometallic derivatives. By dividing the dataset into a training set of 24 compounds and a test set of 6 compounds. The DFT method was used to calculate quantum chemical descriptors and physicochemical descriptors (MR and MLOGP) were performed using E-Dragon. All the validations indicated that the QSAR model built was robust and satisfactory (R2 = 90.12, Q2LOO = 86.61, RMSE = 0.272, F = 60.6473, Q2ext =86.07). We have therefore apply this model to predict the RBA, for two isomers β and α wherein Mn(CO)3 complex with the aromatic ring of estradiol, and the two isomers show little appreciation for the estrogenic receptor (RBAβ = 1.812 and RBAα = 1.741).

Keywords: DFT, estradiol, haptotropic rearrangement, QSAR, relative binding affinity

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Authors: Elina Bakhtieva

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The variety of available digital tools, strategies and activities might confuse and disorient even an experienced marketer. This applies in particular to B2B companies, which are usually less flexible in uptaking of digital technology than B2C companies. B2B companies are lacking a framework that corresponds to the specifics of the B2B business, and which helps to evaluate a company’s capabilities and to choose an appropriate path. A B2B digital marketing maturity model helps to fill this gap. However, modern marketing offers no widely approved digital marketing maturity model, and thus, some marketing institutions provide their own tools. The purpose of this paper is building an optimized B2B digital marketing maturity model based on a SWOT (strengths, weaknesses, opportunities, and threats) analysis of existing models. The current study provides an analytical review of the existing digital marketing maturity models with open access. The results of the research are twofold. First, the provided SWOT analysis outlines the main advantages and disadvantages of existing models. Secondly, the strengths of existing digital marketing maturity models, helps to identify the main characteristics and the structure of an optimized B2B digital marketing maturity model. The research findings indicate that only one out of three analyzed models could be used as a separate tool. This study is among the first examining the use of maturity models in digital marketing. It helps businesses to choose between the existing digital marketing models, the most effective one. Moreover, it creates a base for future research on digital marketing maturity models. This study contributes to the emerging B2B digital marketing literature by providing a SWOT analysis of the existing digital marketing maturity models and suggesting a structure and main characteristics of an optimized B2B digital marketing maturity model.

Keywords: B2B digital marketing strategy, digital marketing, digital marketing maturity model, SWOT analysis

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Authors: Fatema-Tuz-Zahura, Raquib Ahsan

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Punching shear failure is usually the governing failure mode of flat plate structures. Punching failure is brittle in nature which induces more vulnerability to this type of structure. In the present study, a 3D finite element model of a flat plate with low reinforcement ratio and without any transverse reinforcement has been developed. Punching shear stress and the deflection data were obtained on the surface of the flat plate as well as through the thickness of the model from numerical simulations. The obtained data were compared with the experimental results. Variation of punching stress with respect to deflection as obtained from numerical results is found to be in good agreement with the experimental results; the range of variation of punching stress is within 5%. The numerical simulation shows an early and gradual onset of nonlinearity, whereas the same is late and abrupt as observed in the experimental results. The range of variation of punching stress for different slab thicknesses between experimental and numerical results is less than 15%. The developed numerical model is useful to complement available punching test series performed in the past. The results obtained from the numerical model will be helpful for designing retrofitting schemes of flat plates.

Keywords: flat plate, finite element model, punching shear, reinforcement ratio

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Authors: Javad Khaligh, Aghileh Heydari, Ali Akbar Heydari

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Mathematical epidemiological models for the spread of disease through a population are used to predict the prevalence of a disease or to study the impacts of treatment or prevention measures. Initial conditions for these models are measured from statistical data collected from a population since these initial conditions can never be exact, the presence of chaos in mathematical models has serious implications for the accuracy of the models as well as how epidemiologists interpret their findings. This paper confirms the chaotic behavior of a model for dengue fever and SI by investigating sensitive dependence, bifurcation, and 0-1 test under a variety of initial conditions.

Keywords: epidemiological models, SEIR disease model, bifurcation, chaotic behavior, 0-1 test

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Authors: Prakash Kumar Nayak, Avinash Kumar, Uma Dash, Kalpana Rayaguru

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Soybean oil is one of the most widely consumed cooking oils, worldwide. Deep-fat frying of foods at higher temperatures adds unique flavour, golden brown colour and crispy texture to foods. But it brings in various changes like hydrolysis, oxidation, hydrogenation and thermal alteration to oil. The presence of Peroxide value (PV) is one of the most important factors affecting the quality of the deep-fat fried oil. Using bentonite as an adsorbent, the PV can be reduced, thereby improving the quality of the soybean oil. In this study, operating parameters like heating time of oil (10, 15, 20, 25 & 30 h), contact time ( 5, 10, 15, 20, 25 h) and concentration of adsorbent (0.25, 0.5, 0.75, 1.0 and 1.25 g/ 100 ml of oil) have been optimized by response surface methodology (RSM) considering percentage reduction of PV as a response. Adsorption data were analysed by fitting with Langmuir and Freundlich isotherm model. The results show that the Langmuir model shows the best fit compared to the Freundlich model. The adsorption process was also found to follow a pseudo-second-order kinetic model.

Keywords: bentonite, Langmuir isotherm, peroxide value, RSM, soybean oil

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Authors: Adekunle Taiwo Adenike, I. K. Ogundoyin

Abstract:

Lassa fever is a neglected tropical virus that has become a significant public health issue in Nigeria, with the country having the greatest burden in Africa. This paper presents a Geo-Computational Model for Analysis and Prediction of Lassa Fever Dynamics and Outbreaks in Nigeria. The model investigates the dynamics of the virus with respect to environmental factors and human populations. It confirms the role of the rodent host in virus transmission and identifies how climate and human population are affected. The proposed methodology is carried out on a Linux operating system using the OSGeoLive virtual machine for geographical computing, which serves as a base for spatial ecology computing. The model design uses Unified Modeling Language (UML), and the performance evaluation uses machine learning algorithms such as random forest, fuzzy logic, and neural networks. The study aims to contribute to the control of Lassa fever, which is achievable through the combined efforts of public health professionals and geocomputational and machine learning tools. The research findings will potentially be more readily accepted and utilized by decision-makers for the attainment of Lassa fever elimination.

Keywords: geo-computational model, lassa fever dynamics, lassa fever, outbreak prediction, nigeria

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