Search results for: ontology validation
1256 A Study of Light in Zoroastrianism and Ancient Iranian Traditions: A Case of Mathnavi
Authors: Farideh Aramideh
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The aim of this essay is to study the light in Zoroastrianism, and Masnavi by Rumi. The use of light goes back to thousand years B.C. the light in the legacy of ancient Iranian wisdom has been used in Mithraism, Zurvanism, Zoroastrianism and Manichaean religion and spirituality has been emanated in the world through the light. Ontology and angelology and the sacredness of fire in Zoroastrianism have been interpreted according to the concept of light. The ruling atmosphere on mazdaism world is the world which is full of light and angels, and light is one of the basis of worldview in ancient Iranian mysticism, especially Zoroastrianism and Manichaean, continued widely in Islamic mysticism, and also it always provokes discussions among scholars and mystics especially Iranian mystics. Light and fire are used as the signs and symbols of God's existence, The Shining lights emanated from the sacred essence of God, knowledge, and mysticism, love, discovering the wisdom and a way to God. Rumi speaks eloquently about light in Masnavi, and by using the light; he could render his readers the fundamental mystic subjects such as the true existence of God, the verity of prophets and saints, intuition of God, spiritual states of union with God and abiding in God, which are the most complicated mystic terms.Keywords: zoroastrianism, myticims, Masnavi, light
Procedia PDF Downloads 2981255 An Assessment of Finite Element Computations in the Structural Analysis of Diverse Coronary Stent Types: Identifying Prerequisites for Advancement
Authors: Amir Reza Heydari, Yaser Jenab
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Coronary artery disease, a common cardiovascular disease, is attributed to the accumulation of cholesterol-based plaques in the coronary arteries, leading to atherosclerosis. This disease is associated with risk factors such as smoking, hypertension, diabetes, and elevated cholesterol levels, contributing to severe clinical consequences, including acute coronary syndromes and myocardial infarction. Treatment approaches such as from lifestyle interventions to surgical procedures like percutaneous coronary intervention and coronary artery bypass surgery. These interventions often employ stents, including bare-metal stents (BMS), drug-eluting stents (DES), and bioresorbable vascular scaffolds (BVS), each with its advantages and limitations. Computational tools have emerged as critical in optimizing stent designs and assessing their performance. The aim of this study is to provide an overview of the computational methods of studies based on the finite element (FE) method in the field of coronary stenting and discuss the potential for development and clinical application of stent devices. Additionally, the importance of assessing the ability of computational models is emphasized to represent real-world phenomena, supported by recent guidelines from the American Society of Mechanical Engineers (ASME). Validation processes proposed include comparing model performance with in vivo, ex-vivo, or in vitro data, alongside uncertainty quantification and sensitivity analysis. These methods can enhance the credibility and reliability of in silico simulations, ultimately aiding in the assessment of coronary stent designs in various clinical contexts.Keywords: atherosclerosis, materials, restenosis, review, validation
Procedia PDF Downloads 911254 Evaluating the Terrace Benefits of Erosion in a Terraced-Agricultural Watershed for Sustainable Soil and Water Conservation
Authors: Sitarrine Thongpussawal, Hui Shao, Clark Gantzer
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Terracing is a conservation practice to reduce erosion and widely used for soil and water conservation throughout the world but is relatively expensive. A modification of the Soil and Water Assessment Tool (called SWAT-Terrace or SWAT-T) explicitly aims to improve the simulation of the hydrological process of erosion from the terraces. SWAT-T simulates erosion from the terraces by separating terraces into three segments instead of evaluating the entire terrace. The objective of this work is to evaluate the terrace benefits on erosion from the Goodwater Creek Experimental Watershed (GCEW) at watershed and Hydrologic Response Unit (HRU) scales using SWAT-T. The HRU is the smallest spatial unit of the model, which lumps all similar land uses, soils, and slopes within a sub-basin. The SWAT-T model was parameterized for slope length, steepness and the empirical Universal Soil Erosion Equation support practice factor for three terrace segments. Data from 1993-2010 measured at the watershed outlet were used to evaluate the models for calibration and validation. Results of SWAT-T calibration showed good performance between measured and simulated erosion for the monthly time step, but poor performance for SWAT-T validation. This is probably because of large storms in spring 2002 that prevented planting, causing poorly simulated scheduling of actual field operations. To estimate terrace benefits on erosion, models were compared with and without terraces. Results showed that SWAT-T showed significant ~3% reduction in erosion (Pr <0.01) at the watershed scale and ~12% reduction in erosion at the HRU scale. Studies using the SWAT-T model indicated that the terraces have advantages to reduce erosion from terraced-agricultural watersheds. SWAT-T can be used in the evaluation of erosion to sustainably conserve the soil and water.Keywords: Erosion, Modeling, Terraces, SWAT
Procedia PDF Downloads 2071253 Storage System Validation Study for Raw Cocoa Beans Using Minitab® 17 and R (R-3.3.1)
Authors: Anthony Oppong Kyekyeku, Sussana Antwi-Boasiako, Emmanuel De-Graft Johnson Owusu Ansah
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In this observational study, the performance of a known conventional storage system was tested and evaluated for fitness for its intended purpose. The system has a scope extended for the storage of dry cocoa beans. System sensitivity, reproducibility and uncertainties are not known in details. This study discusses the system performance in the context of existing literature on factors that influence the quality of cocoa beans during storage. Controlled conditions were defined precisely for the system to give reliable base line within specific established procedures. Minitab® 17 and R statistical software (R-3.3.1) were used for the statistical analyses. The approach to the storage system testing was to observe and compare through laboratory test methods the quality of the cocoa beans samples before and after storage. The samples were kept in Kilner jars and the temperature of the storage environment controlled and monitored over a period of 408 days. Standard test methods use in international trade of cocoa such as the cut test analysis, moisture determination with Aqua boy KAM III model and bean count determination were used for quality assessment. The data analysis assumed the entire population as a sample in order to establish a reliable baseline to the data collected. The study concluded a statistically significant mean value at 95% Confidence Interval (CI) for the performance data analysed before and after storage for all variables observed. Correlational graphs showed a strong positive correlation for all variables investigated with the exception of All Other Defect (AOD). The weak relationship between the before and after data for AOD had an explained variability of 51.8% with the unexplained variability attributable to the uncontrolled condition of hidden infestation before storage. The current study concluded with a high-performance criterion for the storage system.Keywords: benchmarking performance data, cocoa beans, hidden infestation, storage system validation
Procedia PDF Downloads 1741252 Applying Resilience Engineering to improve Safety Management in a Construction Site: Design and Validation of a Questionnaire
Authors: M. C. Pardo-Ferreira, J. C. Rubio-Romero, M. Martínez-Rojas
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Resilience Engineering is a new paradigm of safety management that proposes to change the way of managing the safety to focus on the things that go well instead of the things that go wrong. Many complex and high-risk sectors such as air traffic control, health care, nuclear power plants, railways or emergencies, have applied this new vision of safety and have obtained very positive results. In the construction sector, safety management continues to be a problem as indicated by the statistics of occupational injuries worldwide. Therefore, it is important to improve safety management in this sector. For this reason, it is proposed to apply Resilience Engineering to the construction sector. The Construction Phase Health and Safety Plan emerges as a key element for the planning of safety management. One of the key tools of Resilience Engineering is the Resilience Assessment Grid that allows measuring the four essential abilities (respond, monitor, learn and anticipate) for resilient performance. The purpose of this paper is to develop a questionnaire based on the Resilience Assessment Grid, specifically on the ability to learn, to assess whether a Construction Phase Health and Safety Plans helps companies in a construction site to implement this ability. The research process was divided into four stages: (i) initial design of a questionnaire, (ii) validation of the content of the questionnaire, (iii) redesign of the questionnaire and (iii) application of the Delphi method. The questionnaire obtained could be used as a tool to help construction companies to evolve from Safety-I to Safety-II. In this way, companies could begin to develop the ability to learn, which will serve as a basis for the development of the other abilities necessary for resilient performance. The following steps in this research are intended to develop other questions that allow evaluating the rest of abilities for resilient performance such as monitoring, learning and anticipating.Keywords: resilience engineering, construction sector, resilience assessment grid, construction phase health and safety plan
Procedia PDF Downloads 1371251 External Validation of Risk Prediction Score for Candidemia in Critically Ill Patients: A Retrospective Observational Study
Authors: Nurul Mazni Abdullah, Saw Kian Cheah, Raha Abdul Rahman, Qurratu 'Aini Musthafa
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Purpose: Candidemia was associated with high mortality in the critically ill patients. Early candidemia prediction is imperative for preemptive antifungal treatment. This study aimed to externally validate the candidemia risk prediction scores by Jameran et al. (2021) by identifying risk factors of acute kidney injury, renal replacement therapy, parenteral nutrition, and multifocal candida colonization. Methods: This single-center, retrospective observational study included all critically ill patients admitted to the intensive care unit (ICU) in a tertiary referral center from January 2018 to December 2023. The study evaluated the candidemia risk prediction score performance by analysing the occurrence of candidemia within the study period. Patients’ demographic characteristics, comorbidities, SOFA scores, and ICU outcomes were analyzed. Patients who were diagnosed with candidemia prior to ICU admission were excluded. Results: A total of 500 patients were analyzed with 2 dropouts due to incomplete data. Validation analysis showed that the candidemia risk prediction score has a sensitivity of 75.00% (95% CI: 59.66-86.81), specificity of 65.35% (95% CI: 60.78-69.72), positive predictive value of 17.28, and negative predictive value of 96.44. The incidence of candidemia was 8.86%, with no significant differences in demographics or comorbidities except for higher SOFA scoring in the candidemia group. The candidemia group showed significantly longer ICU, hospital LOS, and higher ICU in-hospital mortality. Conclusion: This study concluded the candidemia risk prediction score by Jameran et al. (2021) had good sensitivity and a high negative prediction value. Thus, the risk prediction score was validated for candidemia prediction in critically ill patients.Keywords: Candidemia, intensive care, acute kidney injury, clinical prediction rule, incidence
Procedia PDF Downloads 71250 Implications of Optimisation Algorithm on the Forecast Performance of Artificial Neural Network for Streamflow Modelling
Authors: Martins Y. Otache, John J. Musa, Abayomi I. Kuti, Mustapha Mohammed
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The performance of an artificial neural network (ANN) is contingent on a host of factors, for instance, the network optimisation scheme. In view of this, the study examined the general implications of the ANN training optimisation algorithm on its forecast performance. To this end, the Bayesian regularisation (Br), Levenberg-Marquardt (LM), and the adaptive learning gradient descent: GDM (with momentum) algorithms were employed under different ANN structural configurations: (1) single-hidden layer, and (2) double-hidden layer feedforward back propagation network. Results obtained revealed generally that the gradient descent with momentum (GDM) optimisation algorithm, with its adaptive learning capability, used a relatively shorter time in both training and validation phases as compared to the Levenberg- Marquardt (LM) and Bayesian Regularisation (Br) algorithms though learning may not be consummated; i.e., in all instances considering also the prediction of extreme flow conditions for 1-day and 5-day ahead, respectively especially using the ANN model. In specific statistical terms on the average, model performance efficiency using the coefficient of efficiency (CE) statistic were Br: 98%, 94%; LM: 98 %, 95 %, and GDM: 96 %, 96% respectively for training and validation phases. However, on the basis of relative error distribution statistics (MAE, MAPE, and MSRE), GDM performed better than the others overall. Based on the findings, it is imperative to state that the adoption of ANN for real-time forecasting should employ training algorithms that do not have computational overhead like the case of LM that requires the computation of the Hessian matrix, protracted time, and sensitivity to initial conditions; to this end, Br and other forms of the gradient descent with momentum should be adopted considering overall time expenditure and quality of the forecast as well as mitigation of network overfitting. On the whole, it is recommended that evaluation should consider implications of (i) data quality and quantity and (ii) transfer functions on the overall network forecast performance.Keywords: streamflow, neural network, optimisation, algorithm
Procedia PDF Downloads 1521249 Development and Total Error Concept Validation of Common Analytical Method for Quantification of All Residual Solvents Present in Amino Acids by Gas Chromatography-Head Space
Authors: A. Ramachandra Reddy, V. Murugan, Prema Kumari
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Residual solvents in Pharmaceutical samples are monitored using gas chromatography with headspace (GC-HS). Based on current regulatory and compendial requirements, measuring the residual solvents are mandatory for all release testing of active pharmaceutical ingredients (API). Generally, isopropyl alcohol is used as the residual solvent in proline and tryptophan; methanol in cysteine monohydrate hydrochloride, glycine, methionine and serine; ethanol in glycine and lysine monohydrate; acetic acid in methionine. In order to have a single method for determining these residual solvents (isopropyl alcohol, ethanol, methanol and acetic acid) in all these 7 amino acids a sensitive and simple method was developed by using gas chromatography headspace technique with flame ionization detection. During development, no reproducibility, retention time variation and bad peak shape of acetic acid peaks were identified due to the reaction of acetic acid with the stationary phase (cyanopropyl dimethyl polysiloxane phase) of column and dissociation of acetic acid with water (if diluent) while applying temperature gradient. Therefore, dimethyl sulfoxide was used as diluent to avoid these issues. But most the methods published for acetic acid quantification by GC-HS uses derivatisation technique to protect acetic acid. As per compendia, risk-based approach was selected as appropriate to determine the degree and extent of the validation process to assure the fitness of the procedure. Therefore, Total error concept was selected to validate the analytical procedure. An accuracy profile of ±40% was selected for lower level (quantitation limit level) and for other levels ±30% with 95% confidence interval (risk profile 5%). The method was developed using DB-Waxetr column manufactured by Agilent contains 530 µm internal diameter, thickness: 2.0 µm, and length: 30 m. A constant flow of 6.0 mL/min. with constant make up mode of Helium gas was selected as a carrier gas. The present method is simple, rapid, and accurate, which is suitable for rapid analysis of isopropyl alcohol, ethanol, methanol and acetic acid in amino acids. The range of the method for isopropyl alcohol is 50ppm to 200ppm, ethanol is 50ppm to 3000ppm, methanol is 50ppm to 400ppm and acetic acid 100ppm to 400ppm, which covers the specification limits provided in European pharmacopeia. The accuracy profile and risk profile generated as part of validation were found to be satisfactory. Therefore, this method can be used for testing of residual solvents in amino acids drug substances.Keywords: amino acid, head space, gas chromatography, total error
Procedia PDF Downloads 1481248 The Triple Interpretation of German Historicism and its Theoretical Contribution to Historical Materialism
Authors: Dandan Zhang
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Elucidating the original relationship between historical materialism and German historicism from the internal dimension of intellectual history has important theoretical significance for deep understanding and interpretation of the essential characteristics of historical materialism. German historicism contains the triple deduction of scientific historicism, historical relativism, and vitalism. The historicism of science argues for its historical status as science in the name of objective, systematic, and typical research methods, and procedural principles. Historical relativism places history under the specific historical background to study epistemological and methodological issues about the nature of human beings and the value of history. German historicism walks up to natural and cultural relativism on the basis of romanticism. Vitalism emphasizes intuition, will, and experience of life from individuals and places history on the ontology of organic life and vitality. Historical materialism and German historicism have a theoretical relationship in the genetic field. The former criticizes and surpasses the latter. Meanwhile, in the evolution of German historicism, the differences between historical materialism with it are essential features of historical science.Keywords: German historicism, scientific historicism, historical relativism, vitalism, historical materialism
Procedia PDF Downloads 441247 Comparison of Different Artificial Intelligence-Based Protein Secondary Structure Prediction Methods
Authors: Jamerson Felipe Pereira Lima, Jeane Cecília Bezerra de Melo
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The difficulty and cost related to obtaining of protein tertiary structure information through experimental methods, such as X-ray crystallography or NMR spectroscopy, helped raising the development of computational methods to do so. An approach used in these last is prediction of tridimensional structure based in the residue chain, however, this has been proved an NP-hard problem, due to the complexity of this process, explained by the Levinthal paradox. An alternative solution is the prediction of intermediary structures, such as the secondary structure of the protein. Artificial Intelligence methods, such as Bayesian statistics, artificial neural networks (ANN), support vector machines (SVM), among others, were used to predict protein secondary structure. Due to its good results, artificial neural networks have been used as a standard method to predict protein secondary structure. Recent published methods that use this technique, in general, achieved a Q3 accuracy between 75% and 83%, whereas the theoretical accuracy limit for protein prediction is 88%. Alternatively, to achieve better results, support vector machines prediction methods have been developed. The statistical evaluation of methods that use different AI techniques, such as ANNs and SVMs, for example, is not a trivial problem, since different training sets, validation techniques, as well as other variables can influence the behavior of a prediction method. In this study, we propose a prediction method based on artificial neural networks, which is then compared with a selected SVM method. The chosen SVM protein secondary structure prediction method is the one proposed by Huang in his work Extracting Physico chemical Features to Predict Protein Secondary Structure (2013). The developed ANN method has the same training and testing process that was used by Huang to validate his method, which comprises the use of the CB513 protein data set and three-fold cross-validation, so that the comparative analysis of the results can be made comparing directly the statistical results of each method.Keywords: artificial neural networks, protein secondary structure, protein structure prediction, support vector machines
Procedia PDF Downloads 6211246 AI Tutor: A Computer Science Domain Knowledge Graph-Based QA System on JADE platform
Authors: Yingqi Cui, Changran Huang, Raymond Lee
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In this paper, we proposed an AI Tutor using ontology and natural language process techniques to generate a computer science domain knowledge graph and answer users’ questions based on the knowledge graph. We define eight types of relation to extract relationships between entities according to the computer science domain text. The AI tutor is separated into two agents: learning agent and Question-Answer (QA) agent and developed on JADE (a multi-agent system) platform. The learning agent is responsible for reading text to extract information and generate a corresponding knowledge graph by defined patterns. The QA agent can understand the users’ questions and answer humans’ questions based on the knowledge graph generated by the learning agent.Keywords: artificial intelligence, natural Language processing, knowledge graph, intelligent agents, QA system
Procedia PDF Downloads 1871245 Performance Comparison and Visualization of COMSOL Multiphysics, Matlab, and Fortran for Predicting the Reservoir Pressure on Oil Production in a Multiple Leases Reservoir with Boundary Element Method
Authors: N. Alias, W. Z. W. Muhammad, M. N. M. Ibrahim, M. Mohamed, H. F. S. Saipol, U. N. Z. Ariffin, N. A. Zakaria, M. S. Z. Suardi
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This paper presents the performance comparison of some computation software for solving the boundary element method (BEM). BEM formulation is the numerical technique and high potential for solving the advance mathematical modeling to predict the production of oil well in arbitrarily shaped based on multiple leases reservoir. The limitation of data validation for ensuring that a program meets the accuracy of the mathematical modeling is considered as the research motivation of this paper. Thus, based on this limitation, there are three steps involved to validate the accuracy of the oil production simulation process. In the first step, identify the mathematical modeling based on partial differential equation (PDE) with Poisson-elliptic type to perform the BEM discretization. In the second step, implement the simulation of the 2D BEM discretization using COMSOL Multiphysic and MATLAB programming languages. In the last step, analyze the numerical performance indicators for both programming languages by using the validation of Fortran programming. The performance comparisons of numerical analysis are investigated in terms of percentage error, comparison graph and 2D visualization of pressure on oil production of multiple leases reservoir. According to the performance comparison, the structured programming in Fortran programming is the alternative software for implementing the accurate numerical simulation of BEM. As a conclusion, high-level language for numerical computation and numerical performance evaluation are satisfied to prove that Fortran is well suited for capturing the visualization of the production of oil well in arbitrarily shaped.Keywords: performance comparison, 2D visualization, COMSOL multiphysic, MATLAB, Fortran, modelling and simulation, boundary element method, reservoir pressure
Procedia PDF Downloads 4911244 In situ Real-Time Multivariate Analysis of Methanolysis Monitoring of Sunflower Oil Using FTIR
Authors: Pascal Mwenge, Tumisang Seodigeng
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The combination of world population and the third industrial revolution led to high demand for fuels. On the other hand, the decrease of global fossil 8fuels deposits and the environmental air pollution caused by these fuels has compounded the challenges the world faces due to its need for energy. Therefore, new forms of environmentally friendly and renewable fuels such as biodiesel are needed. The primary analytical techniques for methanolysis yield monitoring have been chromatography and spectroscopy, these methods have been proven reliable but are more demanding, costly and do not provide real-time monitoring. In this work, the in situ monitoring of biodiesel from sunflower oil using FTIR (Fourier Transform Infrared) has been studied; the study was performed using EasyMax Mettler Toledo reactor equipped with a DiComp (Diamond) probe. The quantitative monitoring of methanolysis was performed by building a quantitative model with multivariate calibration using iC Quant module from iC IR 7.0 software. 15 samples of known concentrations were used for the modelling which were taken in duplicate for model calibration and cross-validation, data were pre-processed using mean centering and variance scale, spectrum math square root and solvent subtraction. These pre-processing methods improved the performance indexes from 7.98 to 0.0096, 11.2 to 3.41, 6.32 to 2.72, 0.9416 to 0.9999, RMSEC, RMSECV, RMSEP and R2Cum, respectively. The R2 value of 1 (training), 0.9918 (test), 0.9946 (cross-validation) indicated the fitness of the model built. The model was tested against univariate model; small discrepancies were observed at low concentration due to unmodelled intermediates but were quite close at concentrations above 18%. The software eliminated the complexity of the Partial Least Square (PLS) chemometrics. It was concluded that the model obtained could be used to monitor methanol of sunflower oil at industrial and lab scale.Keywords: biodiesel, calibration, chemometrics, methanolysis, multivariate analysis, transesterification, FTIR
Procedia PDF Downloads 1481243 Aphasia, Silence and the Non-Verbalisation of Performance (in Music)
Authors: Navonil Hazra
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The paper discusses how and why aphasia can be understood as the language of nonverbal communication in musical performance and also looks for the elements that are required to classify it as a nonverbal language. Since music is regarded as a nonverbal medium that cannot be engaged in any language, it is concerned about how aphasia might be called the language of nonverbalization. The paper also talks about how it portrays the magnificence of a performance, and how it expresses its likings or dislikes. Regarding the reasons for aphasia, the paper talks about the seizure factor and elucidates on seizure subjects as well. Furthermore, it discusses collective seizures and individual seizures. It also tries to consider aphasia as a-posteriori rather than a-priori looking at it from the lens of ‘Pure Reason’. Along with aphasia, the paper tries to make a critique of silence and the possibilities of looking at silence differently, also looking at the ontology of silence and sound. This paper also critically examines silence and the significance of gestures in performance. It also investigates whether gestures are accompanied by silence, establishing the notion of agential silence. This paper also talks about the place and role of memory in the formulation and analysis of a performance, as well as the plaguing and reclamation of memory, how memory alters the linear course of time and taunts us to look for alternative models of temporalities. This paper discusses the concept of 'auditory labour', with active and passive listening.Keywords: aphasia, gestures, memory, silence
Procedia PDF Downloads 431242 Social Networks in a Communication Strategy of a Large Company
Authors: Kherbache Mehdi
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Within the framework of the validation of the Master in business administration marketing and sales in INSIM institute international in management Blida, we get the opportunity to do a professional internship in Sonelgaz Enterprise and a thesis. The thesis deals with the integration of social networking in the communication strategy of a company. The problematic is: How communicate with social network can be a solution for companies? The challenges stressed by this thesis were to suggest limits and recommendations to Sonelgaz Enterprise concerning social networks. The whole social networks represent more than a billion people as a potential target for the companies. Thanks to research and a qualitative approach, we have identified tree valid hypothesis. The first hypothesis allows confirming that using social networks cannot be ignored by any company in its communication strategy. However, the second hypothesis demonstrates that it’s necessary to prepare a strategy that integrates social networks in the communication plan of the company. The risk of this strategy is very limited because failure on social networks is not a restraint for the enterprise, social networking is not expensive and, a bad image which could result from it is not as important in the long-term. Furthermore, the return on investment is difficult to evaluate. Finally, the last hypothesis shows that firms establish a new relation between consumers and brands thanks to the proximity allowed by social networks. After the validation of the hypothesis, we suggested some recommendations to Sonelgaz Enterprise regarding the communication through social networks. Firstly, the company must use the interactivity of social network in order to have fruitful exchanges with the community. We also recommended having a strategy to treat negative comments. The company must also suggest delivering resources to the community thanks to a community manager, in order to have a good relation with the community. Furthermore, we advised using social networks to do business intelligence. Sonelgaz Enterprise can have some creative and interactive contents with some amazing applications on Facebook for example. Finally, we recommended to the company to be not intrusive with “fans” or “followers” and to be open to all the platforms: Twitter, Facebook, Linked-In for example.Keywords: social network, buzz, communication, consumer, return on investment, internet users, web 2.0, Facebook, Twitter, interaction
Procedia PDF Downloads 4221241 Estimating Water Balance at Beterou Watershed, Benin Using Soil and Water Assessment Tool (SWAT) Model
Authors: Ella Sèdé Maforikan
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Sustained water management requires quantitative information and the knowledge of spatiotemporal dynamics of hydrological system within the basin. This can be achieved through the research. Several studies have investigated both surface water and groundwater in Beterou catchment. However, there are few published papers on the application of the SWAT modeling in Beterou catchment. The objective of this study was to evaluate the performance of SWAT to simulate the water balance within the watershed. The inputs data consist of digital elevation model, land use maps, soil map, climatic data and discharge records. The model was calibrated and validated using the Sequential Uncertainty Fitting (SUFI2) approach. The calibrated started from 1989 to 2006 with four years warming up period (1985-1988); and validation was from 2007 to 2020. The goodness of the model was assessed using five indices, i.e., Nash–Sutcliffe efficiency (NSE), the ratio of the root means square error to the standard deviation of measured data (RSR), percent bias (PBIAS), the coefficient of determination (R²), and Kling Gupta efficiency (KGE). Results showed that SWAT model successfully simulated river flow in Beterou catchment with NSE = 0.79, R2 = 0.80 and KGE= 0.83 for the calibration process against validation process that provides NSE = 0.78, R2 = 0.78 and KGE= 0.85 using site-based streamflow data. The relative error (PBIAS) ranges from -12.2% to 3.1%. The parameters runoff curve number (CN2), Moist Bulk Density (SOL_BD), Base Flow Alpha Factor (ALPHA_BF), and the available water capacity of the soil layer (SOL_AWC) were the most sensitive parameter. The study provides further research with uncertainty analysis and recommendations for model improvement and provision of an efficient means to improve rainfall and discharges measurement data.Keywords: watershed, water balance, SWAT modeling, Beterou
Procedia PDF Downloads 551240 In Silico Exploration of Quinazoline Derivatives as EGFR Inhibitors for Lung Cancer: A Multi-Modal Approach Integrating QSAR-3D, ADMET, Molecular Docking, and Molecular Dynamics Analyses
Authors: Mohamed Moussaoui
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A series of thirty-one potential inhibitors targeting the epidermal growth factor receptor kinase (EGFR), derived from quinazoline, underwent 3D-QSAR analysis using CoMFA and CoMSIA methodologies. The training and test sets of quinazoline derivatives were utilized to construct and validate the QSAR models, respectively, with dataset alignment performed using the lowest energy conformer of the most active compound. The best-performing CoMFA and CoMSIA models demonstrated impressive determination coefficients, with R² values of 0.981 and 0.978, respectively, and Leave One Out cross-validation determination coefficients, Q², of 0.645 and 0.729, respectively. Furthermore, external validation using a test set of five compounds yielded predicted determination coefficients, R² test, of 0.929 and 0.909 for CoMFA and CoMSIA, respectively. Building upon these promising results, eighteen new compounds were designed and assessed for drug likeness and ADMET properties through in silico methods. Additionally, molecular docking studies were conducted to elucidate the binding interactions between the selected compounds and the enzyme. Detailed molecular dynamics simulations were performed to analyze the stability, conformational changes, and binding interactions of the quinazoline derivatives with the EGFR kinase. These simulations provided deeper insights into the dynamic behavior of the compounds within the active site. This comprehensive analysis enhances the understanding of quinazoline derivatives as potential anti-cancer agents and provides valuable insights for lead optimization in the early stages of drug discovery, particularly for developing highly potent anticancer therapeuticsKeywords: 3D-QSAR, CoMFA, CoMSIA, ADMET, molecular docking, quinazoline, molecular dynamic, egfr inhibitors, lung cancer, anticancer
Procedia PDF Downloads 481239 Social Data-Based Users Profiles' Enrichment
Authors: Amel Hannech, Mehdi Adda, Hamid Mcheick
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In this paper, we propose a generic model of user profile integrating several elements that may positively impact the research process. We exploit the classical behavior of users and integrate a delimitation process of their research activities into several research sessions enriched with contextual and temporal information, which allows reflecting the current interests of these users in every period of time and infer data freshness. We argue that the annotation of resources gives more transparency on users' needs. It also strengthens social links among resources and users, and can so increase the scope of the user profile. Based on this idea, we integrate the social tagging practice in order to exploit the social users' behavior to enrich their profiles. These profiles are then integrated into a recommendation system in order to predict the interesting personalized items of users allowing to assist them in their researches and further enrich their profiles. In this recommendation, we provide users new research experiences.Keywords: user profiles, topical ontology, contextual information, folksonomies, tags' clusters, data freshness, association rules, data recommendation
Procedia PDF Downloads 2651238 Validation of the Arabic Version of the InterSePT Scale for Suicidal Thinking (ISST) among the Arab Population in Qatar
Authors: S. Hammoudeh, S. Ghuloum, A. Abdelhakam, A. AlMujalli, M. Opler, Y. Hani, A. Yehya, S. Mari, R. Elsherbiny, Z. Mahfoud, H. Al-Amin
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Introduction: Suicidal ideation and attempts are very common in patients with schizophrenia and still contributes to the high mortality in this population. The InterSePT Scale for Suicidal Thinking (ISST) is a validated tool used to assess suicidal ideation in patients with schizophrenia. This research aims to validate the Arabic version of the ISST among the Arabs residing in Qatar. Methods: Patients diagnosed with schizophrenia were recruited from the department of Psychiatry, Rumailah Hospital, Doha, Qatar. Healthy controls were recruited from the primary health care centers in Doha, Qatar. The validation procedures including professional and expert translation, pilot survey and back translation of the ISST were implemented. Diagnosis of schizophrenia was confirmed using the validated Arabic version of Mini International Neuropsychiatric Interview (MINI 6, module K) for schizophrenia. The gold standard was the module B on suicidality from MINI 6 also. This module was administered by a rater who was blinded to the results of ISST. Results: Our sample (n=199) was composed of 98 patients diagnosed with schizophrenia (age 36.03 ± 9.88 years; M/F is 2/1) and 101 healthy participants (age 35.01 ± 8.23 years; M/F is 1/2). Among patients with schizophrenia: 26.5% were married, 17.3% had a college degree, 28.6% were employed, 9% had committed suicide once, and 4.4% had more than 4 suicide attempts. Among the control group: 77.2% were married, 57.4% had a college degree, and 99% were employed. The mean score on the ISST was 2.36 ± 3.97 vs. 0.47 ± 1.44 for the schizophrenia and control groups, respectively. The overall Cronbach’s alpha was 0.91. Conclusions: This is the first study in the Arab world to validate the ISST in an Arabic-based population. The psychometric properties indicate that the Arabic version of the ISST is a valid tool to assess the severity of suicidal ideation in Arabic speaking patients diagnosed with schizophrenia.Keywords: mental health, Qatar, schizophrenia, suicide
Procedia PDF Downloads 5621237 Effects of Changes in LULC on Hydrological Response in Upper Indus Basin
Authors: Ahmad Ammar, Umar Khan Khattak, Muhammad Majid
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Empirically based lumped hydrologic models have an extensive track record of use for various watershed managements and flood related studies. This study focuses on the impacts of LULC change for 10 year period on the discharge in watershed using lumped model HEC-HMS. The Indus above Tarbela region acts as a source of the main flood events in the middle and lower portions of Indus because of the amount of rainfall and topographic setting of the region. The discharge pattern of the region is influenced by the LULC associated with it. In this study the Landsat TM images were used to do LULC analysis of the watershed. Satellite daily precipitation TRMM data was used as input rainfall. The input variables for model building in HEC-HMS were then calculated based on the GIS data collected and pre-processed in HEC-GeoHMS. SCS-CN was used as transform model, SCS unit hydrograph method was used as loss model and Muskingum was used as routing model. For discharge simulation years 2000 and 2010 were taken. HEC-HMS was calibrated for the year 2000 and then validated for 2010.The performance of the model was assessed through calibration and validation process and resulted R2=0.92 during calibration and validation. Relative Bias for the years 2000 was -9% and for2010 was -14%. The result shows that in 10 years the impact of LULC change on discharge has been negligible in the study area overall. One reason is that, the proportion of built-up area in the watershed, which is the main causative factor of change in discharge, is less than 1% of the total area. However, locally, the impact of development was found significant in built up area of Mansehra city. The analysis was done on Mansehra city sub-watershed with an area of about 16 km2 and has more than 13% built up area in 2010. The results showed that with an increase of 40% built-up area in the city from 2000 to 2010 the discharge values increased about 33 percent, indicating the impact of LULC change on discharge value.Keywords: LULC change, HEC-HMS, Indus Above Tarbela, SCS-CN
Procedia PDF Downloads 5121236 Designing Automated Embedded Assessment to Assess Student Learning in a 3D Educational Video Game
Authors: Mehmet Oren, Susan Pedersen, Sevket C. Cetin
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Despite the frequently criticized disadvantages of the traditional used paper and pencil assessment, it is the most frequently used method in our schools. Although assessments do an acceptable measurement, they are not capable of measuring all the aspects and the richness of learning and knowledge. Also, many assessments used in schools decontextualize the assessment from the learning, and they focus on learners’ standing on a particular topic but do not concentrate on how student learning changes over time. For these reasons, many scholars advocate that using simulations and games (S&G) as a tool for assessment has significant potentials to overcome the problems in traditionally used methods. S&G can benefit from the change in technology and provide a contextualized medium for assessment and teaching. Furthermore, S&G can serve as an instructional tool rather than a method to test students’ learning at a particular time point. To investigate the potentials of using educational games as an assessment and teaching tool, this study presents the implementation and the validation of an automated embedded assessment (AEA), which can constantly monitor student learning in the game and assess their performance without intervening their learning. The experiment was conducted on an undergraduate level engineering course (Digital Circuit Design) with 99 participant students over a period of five weeks in Spring 2016 school semester. The purpose of this research study is to examine if the proposed method of AEA is valid to assess student learning in a 3D Educational game and present the implementation steps. To address this question, this study inspects three aspects of the AEA for the validation. First, the evidence-centered design model was used to lay out the design and measurement steps of the assessment. Then, a confirmatory factor analysis was conducted to test if the assessment can measure the targeted latent constructs. Finally, the scores of the assessment were compared with an external measure (a validated test measuring student learning on digital circuit design) to evaluate the convergent validity of the assessment. The results of the confirmatory factor analysis showed that the fit of the model with three latent factors with one higher order factor was acceptable (RMSEA < 0.00, CFI =1, TLI=1.013, WRMR=0.390). All of the observed variables significantly loaded to the latent factors in the latent factor model. In the second analysis, a multiple regression analysis was used to test if the external measure significantly predicts students’ performance in the game. The results of the regression indicated the two predictors explained 36.3% of the variance (R2=.36, F(2,96)=27.42.56, p<.00). It was found that students’ posttest scores significantly predicted game performance (β = .60, p < .000). The statistical results of the analyses show that the AEA can distinctly measure three major components of the digital circuit design course. It was aimed that this study can help researchers understand how to design an AEA, and showcase an implementation by providing an example methodology to validate this type of assessment.Keywords: educational video games, automated embedded assessment, assessment validation, game-based assessment, assessment design
Procedia PDF Downloads 4211235 Modeling User Context Using CEAR Diagram
Authors: Ravindra Dastikop, G. S. Thyagaraju, U. P. Kulkarni
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Even though the number of context aware applications is increasing day by day along with the users, till today there is no generic programming paradigm for context aware applications. This situation could be remedied by design and developing the appropriate context modeling and programming paradigm for context aware applications. In this paper, we are proposing the static context model and metrics for validating the expressiveness and understandability of the model. The proposed context modeling is a way of describing a situation of user using context entities , attributes and relationships .The model which is an extended and hybrid version of ER model, ontology model and Graphical model is specifically meant for expressing and understanding the user situation in context aware environment. The model is useful for understanding context aware problems, preparing documentation and designing programs and databases. The model makes use of context entity attributes relationship (CEAR) diagram for representation of association between the context entities and attributes. We have identified a new set of graphical notations for improving the expressiveness and understandability of context from the end user perspective .Keywords: user context, context entity, context entity attributes, situation, sensors, devices, relationships, actors, expressiveness, understandability
Procedia PDF Downloads 3441234 Evaluating Generative Neural Attention Weights-Based Chatbot on Customer Support Twitter Dataset
Authors: Sinarwati Mohamad Suhaili, Naomie Salim, Mohamad Nazim Jambli
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Sequence-to-sequence (seq2seq) models augmented with attention mechanisms are playing an increasingly important role in automated customer service. These models, which are able to recognize complex relationships between input and output sequences, are crucial for optimizing chatbot responses. Central to these mechanisms are neural attention weights that determine the focus of the model during sequence generation. Despite their widespread use, there remains a gap in the comparative analysis of different attention weighting functions within seq2seq models, particularly in the domain of chatbots using the Customer Support Twitter (CST) dataset. This study addresses this gap by evaluating four distinct attention-scoring functions—dot, multiplicative/general, additive, and an extended multiplicative function with a tanh activation parameter — in neural generative seq2seq models. Utilizing the CST dataset, these models were trained and evaluated over 10 epochs with the AdamW optimizer. Evaluation criteria included validation loss and BLEU scores implemented under both greedy and beam search strategies with a beam size of k=3. Results indicate that the model with the tanh-augmented multiplicative function significantly outperforms its counterparts, achieving the lowest validation loss (1.136484) and the highest BLEU scores (0.438926 under greedy search, 0.443000 under beam search, k=3). These results emphasize the crucial influence of selecting an appropriate attention-scoring function in improving the performance of seq2seq models for chatbots. Particularly, the model that integrates tanh activation proves to be a promising approach to improve the quality of chatbots in the customer support context.Keywords: attention weight, chatbot, encoder-decoder, neural generative attention, score function, sequence-to-sequence
Procedia PDF Downloads 781233 MindFlow: A Collective Intelligence-Based System for Helping Stress Pattern Diagnosis
Authors: Andres Frederic
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We present the MindFlow system supporting the detection and the diagnosis of stresses. The heart of the system is a knowledge synthesis engine allowing occupational health stakeholders (psychologists, occupational therapists and human resource managers) to formulate queries related to stress and responding to users requests by recommending a pattern of stress if one exists. The stress pattern diagnosis is based on expert knowledge stored in the MindFlow stress ontology including stress feature vector. The query processing may involve direct access to the MindFlow system by occupational health stakeholders, online communication between the MindFlow system and the MindFlow domain experts, or direct dialog between a occupational health stakeholder and a MindFlow domain expert. The MindFlow knowledge model is generic in the sense that it supports the needs of psychologists, occupational therapists and human resource managers. The system presented in this paper is currently under development as part of a Dutch-Japanese project and aims to assist organisation in the quick diagnosis of stress patterns.Keywords: occupational stress, stress management, physiological measurement, accident prevention
Procedia PDF Downloads 4301232 Agile Software Effort Estimation Using Regression Techniques
Authors: Mikiyas Adugna
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Effort estimation is among the activities carried out in software development processes. An accurate model of estimation leads to project success. The method of agile effort estimation is a complex task because of the dynamic nature of software development. Researchers are still conducting studies on agile effort estimation to enhance prediction accuracy. Due to these reasons, we investigated and proposed a model on LASSO and Elastic Net regression to enhance estimation accuracy. The proposed model has major components: preprocessing, train-test split, training with default parameters, and cross-validation. During the preprocessing phase, the entire dataset is normalized. After normalization, a train-test split is performed on the dataset, setting training at 80% and testing set to 20%. We chose two different phases for training the two algorithms (Elastic Net and LASSO) regression following the train-test-split. In the first phase, the two algorithms are trained using their default parameters and evaluated on the testing data. In the second phase, the grid search technique (the grid is used to search for tuning and select optimum parameters) and 5-fold cross-validation to get the final trained model. Finally, the final trained model is evaluated using the testing set. The experimental work is applied to the agile story point dataset of 21 software projects collected from six firms. The results show that both Elastic Net and LASSO regression outperformed the compared ones. Compared to the proposed algorithms, LASSO regression achieved better predictive performance and has acquired PRED (8%) and PRED (25%) results of 100.0, MMRE of 0.0491, MMER of 0.0551, MdMRE of 0.0593, MdMER of 0.063, and MSE of 0.0007. The result implies LASSO regression algorithm trained model is the most acceptable, and higher estimation performance exists in the literature.Keywords: agile software development, effort estimation, elastic net regression, LASSO
Procedia PDF Downloads 711231 Cross Cultural Adaptation and Content Validation of the Assessment Instrument Preschooler Awareness of Stuttering Survey
Authors: Catarina Belchior, Catarina Martins, Sara Mendes, Ana Rita S. Valente, Elsa Marta Soares
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Introduction: The negative feelings and attitudes that a person who stutters can develop are extremely relevant when considering assessment and intervention in Speech and Language Therapy. This relates to the fact that the person who stutters can experience feelings such as shame, fear and negative beliefs when communicating. Considering the complexity and importance of integrating diverse aspects in stuttering intervention, it is central to identify those emotions as early as possible. Therefore, this research aimed to achieve the translation, adaptation to European Portuguese and to analyze the content validation of the Preschooler Awareness Stuttering Survey (Abbiati, Guitar & Hutchins, 2015), an instrument that allows the assessment of the impact of stuttering on preschool children who stutter considering feelings and attitudes. Methodology: Cross-sectional descriptive qualitative research. The following methodological procedures were followed: translation, back-translation, panel of experts and pilot study. This abstract describes the results of the first three phases of this process. The translation was accomplished by two Speech Language Therapists (SLT). Both professionals have more than five years of experience and are users of English language. One of them has a broad experience in the field of stuttering. Back-translation was conducted by two bilingual individuals without experience in health or any knowledge about the instrument. The panel of experts was composed by 3 different SLT, experts in the field of stuttering. Results and Discussion: In the translation and back-translation process it was possible to verify differences in semantic and idiomatic equivalences of several concepts and expressions, as well as the need to include new information to enhance the understanding of the application of the instrument. The meeting between the two translators and the researchers allowed the achievement of a consensus version that was used in back-translation. Considering adaptation and content validation, the main change made by the experts was the conceptual equivalence of the questions and answers of the instrument's sheets. Considering that in the translated consensus version the questions began with various nouns such as 'is' or 'the cow' and that the answers did not contain the adverb 'much' as in the original instrument, the panel agreed that it would be more appropriate if the questions all started with 'how' and that all the answers should present the adverb 'much'. This decision was made to ensure that the translate instrument would be similar to the original and so that the results obtained could be comparable between the original and the translated instrument. There was also elaborated one semantic equivalence between concepts. The panel of experts found that all other items and specificities of the instrument were adequate, concluding the adequacy of the instrument considering its objectives and its intended target population. Conclusion: This research aspires to diversify the existing validated resources in this scope, adding a new instrument that allows the assessment of preschool children who stutter. Consequently, it is hoped that this instrument will provide a real and reliable assessment that can lead to an appropriate therapeutic intervention according to the characteristics and needs of each child.Keywords: stuttering, assessment, feelings and attitudes, speech language therapy
Procedia PDF Downloads 1491230 Methodology for the Determination of Triterpenic Compounds in Apple Extracts
Authors: Mindaugas Liaudanskas, Darius Kviklys, Kristina Zymonė, Raimondas Raudonis, Jonas Viškelis, Norbertas Uselis, Pranas Viškelis, Valdimaras Janulis
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Apples are among the most commonly consumed fruits in the world. Based on data from the year 2014, approximately 84.63 million tons of apples are grown per annum. Apples are widely used in food industry to produce various products and drinks (juice, wine, and cider); they are also used unprocessed. Apples in human diet are an important source of different groups of biological active compounds that can positively contribute to the prevention of various diseases. They are a source of various biologically active substances – especially vitamins, organic acids, micro- and macro-elements, pectins, and phenolic, triterpenic, and other compounds. Triterpenic compounds, which are characterized by versatile biological activity, are the biologically active compounds found in apples that are among the most promising and most significant for human health. A specific analytical procedure including sample preparation and High Performance Liquid Chromatography (HPLC) analysis was developed, optimized, and validated for the detection of triterpenic compounds in the samples of different apples, their peels, and flesh from widespread apple cultivars 'Aldas', 'Auksis', 'Connel Red', 'Ligol', 'Lodel', and 'Rajka' grown in Lithuanian climatic conditions. The conditions for triterpenic compound extraction were optimized: the solvent of the extraction was 100% (v/v) acetone, and the extraction was performed in an ultrasound bath for 10 min. Isocratic elution (the eluents ratio being 88% (solvent A) and 12% (solvent B)) for a rapid separation of triterpenic compounds was performed. The validation of the methodology was performed on the basis of the ICH recommendations. The following characteristics of validation were evaluated: the selectivity of the method (specificity), precision, the detection and quantitation limits of the analytes, and linearity. The obtained parameters values confirm suitability of methodology to perform analysis of triterpenic compounds. Using the optimised and validated HPLC technique, four triterpenic compounds were separated and identified, and their specificity was confirmed. These compounds were corosolic acid, betulinic acid, oleanolic acid, and ursolic acid. Ursolic acid was the dominant compound in all the tested apple samples. The detected amount of betulinic acid was the lowest of all the identified triterpenic compounds. The greatest amounts of triterpenic compounds were detected in whole apple and apple peel samples of the 'Lodel' cultivar, and thus apples and apple extracts of this cultivar are potentially valuable for use in medical practice, for the prevention of various diseases, for adjunct therapy, for the isolation of individual compounds with a specific biological effect, and for the development and production of dietary supplements and functional food enriched in biologically active compounds. Acknowledgements. This work was supported by a grant from the Research Council of Lithuania, project No. MIP-17-8.Keywords: apples, HPLC, triterpenic compounds, validation
Procedia PDF Downloads 1731229 River Habitat Modeling for the Entire Macroinvertebrate Community
Authors: Pinna Beatrice., Laini Alex, Negro Giovanni, Burgazzi Gemma, Viaroli Pierluigi, Vezza Paolo
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Habitat models rarely consider macroinvertebrates as ecological targets in rivers. Available approaches mainly focus on single macroinvertebrate species, not addressing the ecological needs and functionality of the entire community. This research aimed to provide an approach to model the habitat of the macroinvertebrate community. The approach is based on the recently developed Flow-T index, together with a Random Forest (RF) regression, which is employed to apply the Flow-T index at the meso-habitat scale. Using different datasets gathered from both field data collection and 2D hydrodynamic simulations, the model has been calibrated in the Trebbia river (2019 campaign), and then validated in the Trebbia, Taro, and Enza rivers (2020 campaign). The three rivers are characterized by a braiding morphology, gravel riverbeds, and summer low flows. The RF model selected 12 mesohabitat descriptors as important for the macroinvertebrate community. These descriptors belong to different frequency classes of water depth, flow velocity, substrate grain size, and connectivity to the main river channel. The cross-validation R² coefficient (R²𝒸ᵥ) of the training dataset is 0.71 for the Trebbia River (2019), whereas the R² coefficient for the validation datasets (Trebbia, Taro, and Enza Rivers 2020) is 0.63. The agreement between the simulated results and the experimental data shows sufficient accuracy and reliability. The outcomes of the study reveal that the model can identify the ecological response of the macroinvertebrate community to possible flow regime alterations and to possible river morphological modifications. Lastly, the proposed approach allows extending the MesoHABSIM methodology, widely used for the fish habitat assessment, to a different ecological target community. Further applications of the approach can be related to flow design in both perennial and non-perennial rivers, including river reaches in which fish fauna is absent.Keywords: ecological flows, macroinvertebrate community, mesohabitat, river habitat modeling
Procedia PDF Downloads 941228 Molecular Topology and TLC Retention Behaviour of s-Triazines: QSRR Study
Authors: Lidija R. Jevrić, Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević
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Quantitative structure-retention relationship (QSRR) analysis was used to predict the chromatographic behavior of s-triazine derivatives by using theoretical descriptors computed from the chemical structure. Fundamental basis of the reported investigation is to relate molecular topological descriptors with chromatographic behavior of s-triazine derivatives obtained by reversed-phase (RP) thin layer chromatography (TLC) on silica gel impregnated with paraffin oil and applied ethanol-water (φ = 0.5-0.8; v/v). Retention parameter (RM0) of 14 investigated s-triazine derivatives was used as dependent variable while simple connectivity index different orders were used as independent variables. The best QSRR model for predicting RM0 value was obtained with simple third order connectivity index (3χ) in the second-degree polynomial equation. Numerical values of the correlation coefficient (r=0.915), Fisher's value (F=28.34) and root mean square error (RMSE = 0.36) indicate that model is statistically significant. In order to test the predictive power of the QSRR model leave-one-out cross-validation technique has been applied. The parameters of the internal cross-validation analysis (r2CV=0.79, r2adj=0.81, PRESS=1.89) reflect the high predictive ability of the generated model and it confirms that can be used to predict RM0 value. Multivariate classification technique, hierarchical cluster analysis (HCA), has been applied in order to group molecules according to their molecular connectivity indices. HCA is a descriptive statistical method and it is the most frequently used for important area of data processing such is classification. The HCA performed on simple molecular connectivity indices obtained from the 2D structure of investigated s-triazine compounds resulted in two main clusters in which compounds molecules were grouped according to the number of atoms in the molecule. This is in agreement with the fact that these descriptors were calculated on the basis of the number of atoms in the molecule of the investigated s-triazine derivatives.Keywords: s-triazines, QSRR, chemometrics, chromatography, molecular descriptors
Procedia PDF Downloads 3931227 Development and Validation of a Carbon Dioxide TDLAS Sensor for Studies on Fermented Dairy Products
Authors: Lorenzo Cocola, Massimo Fedel, Dragiša Savić, Bojana Danilović, Luca Poletto
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An instrument for the detection and evaluation of gaseous carbon dioxide in the headspace of closed containers has been developed in the context of Packsensor Italian-Serbian joint project. The device is based on Tunable Diode Laser Absorption Spectroscopy (TDLAS) with a Wavelength Modulation Spectroscopy (WMS) technique in order to accomplish a non-invasive measurement inside closed containers of fermented dairy products (yogurts and fermented cheese in cups and bottles). The purpose of this instrument is the continuous monitoring of carbon dioxide concentration during incubation and storage of products over a time span of the whole shelf life of the product, in the presence of different microorganisms. The instrument’s optical front end has been designed to be integrated in a thermally stabilized incubator. An embedded computer provides processing of spectral artifacts and storage of an arbitrary set of calibration data allowing a properly calibrated measurement on many samples (cups and bottles) of different shapes and sizes commonly found in the retail distribution. A calibration protocol has been developed in order to be able to calibrate the instrument on the field also on containers which are notoriously difficult to seal properly. This calibration protocol is described and evaluated against reference measurements obtained through an industry standard (sampling) carbon dioxide metering technique. Some sets of validation test measurements on different containers are reported. Two test recordings of carbon dioxide concentration evolution are shown as an example of instrument operation. The first demonstrates the ability to monitor a rapid yeast growth in a contaminated sample through the increase of headspace carbon dioxide. Another experiment shows the dissolution transient with a non-saturated liquid medium in presence of a carbon dioxide rich headspace atmosphere.Keywords: TDLAS, carbon dioxide, cups, headspace, measurement
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