Search results for: structural equational modeling

Authors: Margarita Grushanina

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After several prominent central banks including European Central Bank (ECB), Federal Reserve System (Fed), Bank of Japan and Bank of England employed unconventional monetary policies in the aftermath of the financial crisis of 2008-2009 the problem of identification of the effects from such policies became of great interest. One of the main difficulties in identification of shocks from unconventional monetary policy measures in structural VAR analysis is that they often are anticipated, which leads to a non-fundamental MA representation of the VAR model. Moreover, the unconventional monetary policy actions may indirectly transmit to markets information about the future stance of the interest rate, which raises a question of the plausibility of the assumption of orthogonality between shocks from unconventional and conventional policy measures. This paper offers a method of identification that takes into account the abovementioned issues. The author uses factor-augmented VARs to increase the information set and identification through heteroskedasticity of error terms and rank restrictions on the errors’ second moments’ matrix to deal with the cross-correlation of the structural shocks.

Keywords: factor-augmented VARs, identification through heteroskedasticity, monetary policy, structural VARs

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Authors: Brahim Dennai, Abdelhak Bentaleb, Rachid Khelfaoui, Asma Abdenbi

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The diffusion flux given by the Fick’s law characterizethe mixing rate. A passive mixing strategy is proposed to enhance mixing of two fluids through perturbed jet low. A numerical study of passive mixers has been presented. This paper is focused on the modeling of a micro-injection systems composed of passive amplifier without mechanical part. The micro-system modeling is based on geometrical oscillators form. An asymmetric micro-oscillator design based on a monostable fluidic amplifier is proposed. The characteristic size of the channels is generally about a few hundred of microns. The numerical results indicate that the mixing performance can be as high as 99 % within a typical mixing chamber of 0.20 mm diameter inlet and 2.0 mm distance of nozzle - spliter. In addition, the results confirm that self-rotation in the circular mixer significantly enhances the mixing performance. The novel micro mixing method presented in this study provides a simple solution to mixing problems in microsystem for application in chemistry.

Keywords: micro oscillator, modeling, micro mixture, diffusion, size effect, chemical equation

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Authors: Ashwani Kumar

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Abstract- This study presents an analytical modeling approach for analyzing the drain current behavior in Tunnel Field-Effect Transistor (TFET) biosensors used for the detection of DNA biomolecules. The proposed model focuses on elucidating the relationship between the drain current and the presence of DNA biomolecules, taking into account the impact of various device parameters and biomolecule characteristics. Through comprehensive analysis, the model offers insights into the underlying mechanisms governing the sensing performance of TFET biosensors, aiding in the optimization of device design and operation. A non-local tunneling model is incorporated with other essential models to accurately trace the simulation and modeled data. An experimental validation of the model is provided, demonstrating its efficacy in accurately predicting the drain current response to DNA biomolecule detection. The sensitivity attained from the analytical model is compared and contrasted with the ongoing research work in this area.

Keywords: biosensor, double-gate TFET, DNA detection, drain current modeling, sensitivity

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Authors: Maurice Bilioniere, Katie Lanneau

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Suddenly appeared in 2011, invasions of sargasso seaweeds Fluitans and Natans are a climatic hazard which causes many problems in the Caribbean. Faced with the growth and frequency of the phenomenon of massive sargasso stranding on their coasts, the French West Indies are moving towards the path of industrial recovery. In this context of innovative projects, we will analyze the necessary requirements for the management and performance of the supply chain, taking into account the observed volatility of the sargasso input. Our prospective approach will consist in studying the theoretical framework of modeling a hybrid supply chain by coupling the discreet event simulation (DES) with a valuation of the process costs according to the "activity-based costing" method (ABC). The PREVA approach (PRocess EVAluation) chosen for our modeling has the advantage of evaluating the financial flows of the logistic process using an analytical model chained with an action model for the evaluation or optimization of physical flows.

Keywords: sargasso, PREVA modeling, supply chain, ABC method, discreet event simulation (DES)

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Authors: Marianna Maiaru, Gregory M. Odegard, Josh Kemppainen, Ivan Gallegos, Michael Olaya

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Ceramic matrix composites (CMCs) are typically used in applications that require long-term mechanical integrity at elevated temperatures. CMCs are usually fabricated using a polymer precursor that is initially polymerized in situ with fiber reinforcement, followed by a series of cycles of pyrolysis to transform the polymer matrix into a rigid glass or ceramic. The pyrolysis step typically generates volatile gasses, which creates porosity within the polymer matrix phase of the composite. Subsequent cycles of monomer infusion, polymerization, and pyrolysis are often used to reduce the porosity and thus increase the durability of the composite. Because of the significant expense of such iterative processing cycles, new generations of CMCs with improved durability and manufacturability are difficult and expensive to develop using standard Edisonian approaches. The goal of this research is to develop a computational process-modeling-based approach that can be used to design the next generation of CMC materials with optimized material and processing parameters for maximum strength and efficient manufacturing. The process modeling incorporates computational modeling tools, including molecular dynamics (MD), to simulate the material at multiple length scales. Results from MD simulation are used to inform the continuum-level models to link molecular-level characteristics (material structure, temperature) to bulk-level performance (strength, residual stresses). Processing parameters are optimized such that process-induced residual stresses are minimized and laminate strength is maximized. The multiscale process modeling method developed with this research can play a key role in the development of future CMCs for high-temperature and high-strength applications. By combining multiscale computational tools and process modeling, new manufacturing parameters can be established for optimal fabrication and performance of CMCs for a wide range of applications.

Keywords: digital engineering, finite elements, manufacturing, molecular dynamics

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Authors: Wisdom Dordudnu, George M. Y. Owusu, Samuel N. Y. Simpson

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The recent failures of many corporate giants have generated intense research interest in the factors that influence accountants’ job performance. Against the backdrop that these factors also create an enabling environment for success at the work place, this study contributes to literature on job performance of accountants by exploring the impact of two psycho-spiritual factors: religiosity and spiritual intelligence on job performance of accountants in Ghana. The study employs a survey approach using questionnaires as the principal means of data collection to elicit responses from accountants working in the 222 certified firms of Institute of Chartered Accountants Ghana (ICAG). A structural equation modeling-based approach is employed to examine the relationship among the study constructs. Results of this study indicate that there is a positive relationship between these factors and accountants’ performance. It is expected that this study provides strong evidence and highlight the need for specific action from managers to look critically at the non-material aspect of accountants in accounting firms.

Keywords: job performance, psycho-spiritual, religiosity, spiritual intelligence

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Authors: Neda Nabid

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Friction-based supplemental devices have been extensively used for seismic protection and strengthening of structures, however, the conventional use of these dampers may not necessarily lead to an efficient structural performance. Conventionally designed friction dampers follow a uniform height-wise distribution pattern of slip load values for more practical simplicity. This can lead to localizing structural damage in certain story levels, while the other stories accommodate a negligible amount of relative displacement demand. A practical performance-based optimization methodology is developed to tackle with structural damage localization of RC frame buildings with friction energy dissipation devices under severe earthquakes. The proposed methodology is based on the concept of uniform damage distribution theory. According to this theory, the slip load values of the friction dampers redistribute and shift from stories with lower relative displacement demand to the stories with higher inter-story drifts to narrow down the discrepancy between the structural damage levels in different stories. In this study, the efficacy of the proposed design methodology is evaluated through the seismic performance of five different low to high-rise RC frames equipped with friction wall dampers under six real spectrum-compatible design earthquakes. The results indicate that compared to the conventional design, using the suggested methodology to design friction wall systems can lead to, by average, up to 40% reduction of maximum inter-story drift; and incredibly more uniform height-wise distribution of relative displacement demands under the design earthquakes.

Keywords: friction damper, nonlinear dynamic analysis, RC structures, seismic performance, structural damage

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Authors: Zellagui Redouane, Bellaouar Ahmed, Lachi Mohammed

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The railway axles are the essential parts in the bogie of train, and its failure creates a big problem in the railway transport; during the work of this parts we noticed a premature deterioration. The aim has been presented a predictive model allowing the identification of the probable causes that are the cause of these premature deterioration. The results are employed for predicting fatigue crack growth in the railway axle, Also we want to present the variation value of stress intensity factor in different positions of elliptical crack tip. The modeling of axle in performed by the SOLID WORKS software and imported into ANSYS.

Keywords: crack growth, static load, railway axle, lifetime

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Authors: Hamza Rekab Djabri, Salah Daoud

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The present paper deals with the computational of structural and electronic properties of ThC and ThN compounds using density functional theory within generalized-gradient (GGA) apraximation and local density approximation (LDA). We employ the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the Lmtart code. We have used to examine structure parameter in eight different structures such as in NaCl (B1), CsCl (B2), ZB (B3), NiAs (B8), PbO (B10), Wurtzite (B4) , HCP (A3) βSn (A5) structures . The equilibrium lattice parameter, bulk modulus, and its pressure derivative were presented for all calculated phases. The calculated ground state properties are in good agreement with available experimental and theoretical results.

Keywords: DFT, GGA, LDA, properties structurales, ThC, ThN

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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

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Authors: Hummaira Qudsia Yousaf, Sidra Munawar

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The study aims to examine in which way entrepreneurial education and attitude affect the entrepreneur’s success with the help of an entrepreneurial mindset, professional growth, and innovation. The target population was the entrepreneurs of successful startups in Pakistan. Data was gathered through an e-questionnaire, and 230 responses were analyzed using the partial least square structural equation modeling (PLS-SEM). Resultantly, entrepreneurial education is an essential component for the development of an entrepreneurial mindset. Also, an entrepreneurial attitude is responsible for the entrepreneurial mindset, which enhances professional growth. Moreover, the study highlighted that innovation is as necessary as mindset and education are for entrepreneurs. Furthermore, the findings confirmed that professional growth brings innovation to the success of entrepreneurs. This study provides proof of how entrepreneurial education and attitude influence pupils’ success in making entrepreneurs. This study extends the scope of education by incorporating predictors, such as professional growth, innovation, and entrepreneurial success. The study is unique due to the usage of innovative techniques for professional growth that ultimately bring career success.

Keywords: entrepreneurial education, entrepreneurial attitude, entrepreneurial mindset, professional growth, entrepreneurial success, innovation

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Authors: Madhuri, H. R. Tewari, P. K. Bhowmick

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The study attempts to find out the role of the community and the government support, flood experience, flood education, and education of the male-headed households in their livelihood resilience. The study is based on a randomly drawn sample of 472 households from the river basins of Ganga and Kosi in the district of Bhagalpur, Bihar. Structural equation modeling (SEM) and analysis of variance (ANOVA) methods are used to analyze the data. The findings of the study reveal that the role(s) of the community support though is found to be more significant in comparison to the government supports for its stand by position in rescue and livelihood resilience of the affected households whereas the government support arrives late and in far less quantity than what is required. However, the government's support is equally vital due its control over resources, which essentially needed in rescue and rehabilitation of the affected households. The study unravels the strategic value of households' indigenous knowledge and their flood experience in livelihood resilience.

Keywords: flood education, flood experience, livelihood resilience, community support, government support

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Authors: Azaze-Azizi Abdul Adis, Hyung Jun Kim, Mohamad Rizwan Abdul Majid, Zaiton Osman, Izyanti Awang Razli

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The increase of online advertising, specifically advergame has become a popular method of strengthening consumer brand recognition by inserting attractive characters and enhancing entertainment value. There have been several remarkable studies on spokes-characters in advertising effectiveness. However, few studies have examined the link between character presence and consumers' brand recall and attitude in advergame. Moreover, how the entertainment value of an advergame influences brand recall and brand attitude and the mediating role of brand recall in influencing character presence and entertainment on brand attitude are still lacking in the advergaming literature. An online survey was conducted with 366 Malaysian gamers. Using structural equation modeling, the results showed that character presence had no influence but entertainment value had a positive influence on brand recall and brand attitude. This study confirmed the role of brand recall as a mediator of the effect of between entertainment and brand attitude in advergame.

Keywords: character presence, entertainment, brand recall, brand attitude, advergame

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Authors: Neslihan Sahin Celik, Ali Eraslan

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Mathematical model and modeling are one of the topics that have been intensively discussed in recent years. In line with the results of the PISA studies, researchers in many countries have begun to question how much students in school-education system are prepared to solve the real-world problems they encounter in their future professional lives. As a result, many mathematics educators have begun to emphasize the importance of new skills and understanding such as constructing, Hypothesizing, Describing, manipulating, predicting, working together for complex and multifaceted problems for success in beyond the school. When students increasingly face this kind of situations in their daily life, it is important to make sure that students have enough experience to work together and interpret mathematical situations that enable them to think in different ways and share their ideas with their peers. Thus, model eliciting activities are one of main tools that help students to gain experiences and the new skills required. This research study was carried on the town center of a big city located in the Black Sea region in Turkey. The participants were eighth-grade students in a middle school. After a six-week preliminary study, three students in an eighth-grade classroom were selected using criterion sampling technique and placed in a focus group. The focus group of three students was videotaped as they worked on a model eliciting activity, the Summer Job Problem. The conversation of the group was transcribed, examined with students’ written work and then qualitatively analyzed through the lens of Blum’s (1996) modeling processing cycle. The study results showed that eighth grade students can successfully work with the model eliciting, develop a model based on the two parameters and review the whole process. On the other hand, they had difficulties to relate parameters to each other and take all parameters into account to establish the model.

Keywords: middle school, modeling, mathematical modeling, summer job problem

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Authors: Farooq A. Al-Sheikh, Ali Elkamel, William A. Anderson

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A fluidized catalytic cracking unit (FCCU) is one of the effective units in many refineries. Modeling and optimization of FCCU were done by many researchers in past decades, but in this research, comparison between post- and oxy-combustion was studied in the regenerator-FCCU. Therefore, a simplified mathematical model was derived by doing mass/heat balances around both reactor and regenerator. A state space analysis was employed to show effects of the flow rates variables such as air, feed, spent catalyst, regenerated catalyst and flue gas on the output variables. The main aim of studying dynamic responses is to figure out the most influencing variables that affect both reactor/regenerator temperatures; also, finding the upper/lower limits of the influencing variables to ensure that temperatures of the reactors and regenerator work within normal operating conditions. Therefore, those values will be used as side constraints in the optimization technique to find appropriate operating regimes. The objective functions were modeled to be maximizing the energy in the reactor while minimizing the energy consumption in the regenerator. In conclusion, an oxy-combustion process can be used instead of a post-combustion one.

Keywords: FCCU modeling, optimization, oxy-combustion, post-combustion

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Authors: Seo Soo-Yeon, Kim Sang-Ku, Noh Sang-Hyun, Lee Ji-Eun, Kim Seol-Ki, Lim Jong-Wook

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This paper presents a test result to find the structural capacity of Hollow-Precast Concrete (HPC) column with Head-Splice Sleeve (HSS) for the connection of bars under horizontal cyclic load. Two Half-scaled HPC column specimens were made with the consideration of construction process in site. The difference between the HPC specimens is the location of HSS for bar connection. The location of the first one is on the bottom slab or foundation while the other is above the bottom slab or foundation. Reinforced concrete (RC) column was also made for the comparison. In order to evaluate the hysteretic behavior of the specimens, horizontal cyclic load was applied to the top of specimen under constant axial load. From the test, it is confirmed that the HPC columns with HSS have enough structural capacity that can be emulated to RC column. This means that the HPC column with HSS can be used in the moment resisting frame system.

Keywords: structural capacity, hollow-precast concrete column, head-splice sleeve, horizontal cyclic load

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Authors: Ibtihal D. Mustafa, Mawia A. Hassan

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Tumor segmentation from MRI image is important part of medical images experts. This is particularly a challenging task because of the high assorting appearance of tumor tissue among different patients. MRI images are advance of medical imaging because it is give richer information about human soft tissue. There are different segmentation techniques to detect MRI brain tumor. In this paper, different procedure segmentation methods are used to segment brain tumors and compare the result of segmentations by using correlation and structural similarity index (SSIM) to analysis and see the best technique that could be applied to MRI image.

Keywords: MRI, segmentation, correlation, structural similarity

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Authors: Abdul Qader Melhm, Hussein Elrafidi

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This paper is dealing with studying the structural behavior of a steel-composite hollow reinforced concrete (RC) column model under combined eccentric loading. The composite model consists of an inner steel tube surrounded via a concrete core with longitudinal and circular transverse reinforcement. The radius of gyration according to American and Euro specifications be calculated, in order to calculate the thinnest ratio for this type of composite column model, in addition to the flexural rigidity. Formulas for interaction diagram is given for this type of model, which is a general loading conditions in which an element is exposed to an axial load with bending at the same time. The structural capacity of this model, elastic, plastic loads and strains will be computed and compared with experimental results. The total eccentric axial load of the column model is calculated based on the effective length KL available from several relationships provided in the paper. Furthermore, the inner tube experiences buckling failure after reaching its maximum strength will be investigated.

Keywords: column, composite, eccentric, inner tube, interaction, reinforcement

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Authors: Uroš Durlević, Ivan Novković, Nina Čegar, Stefanija Stojković

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Snow avalanches represent one of the most dangerous natural phenomena in mountain regions worldwide. Material and human casualties caused by snow avalanches can be very significant. In this study, using geographic information systems and remote sensing, the natural conditions of the Šar Mountains were analyzed for geospatial modeling of dry slab avalanches. For this purpose, the Fuzzy Analytic Hierarchy Process (FAHP) multi-criteria analysis method was used, within which fifteen environmental criteria were analyzed and evaluated. Based on the existing analyzes and results, it was determined that a significant area of the Šar Mountains is very highly susceptible to the occurrence of dry slab avalanches. The obtained data can be of significant use to local governments, emergency services, and other institutions that deal with natural disasters at the local level. To our best knowledge, this is one of the first research in the Republic of Serbia that uses the FAHP method for geospatial modeling of dry slab avalanches.

Keywords: GIS, FAHP, Šar Mountains, snow avalanches, environmental protection

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Authors: Oloruntoba Kayode, Mohd Hisyam Rasidi, Ismail Said

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This study investigates the influence of public space in developing social cohesion among residents in science cities. The study takes into consideration the need for social cohesion in knowledge-based development and focuses on Cyberjaya Malaysia being a science city that is characterized by public spaces. As such, we adopted validated measuring tools for this study we developed a theoretical framework that links public space utilization with people's social cohesion. A total of 211 survey questions were administered by the residents in the study area on public space utilization and their social cohesion potentials. The research framework was validated to confirm its fit using structural equation modeling (SEM). The findings indicated that the observed public space utilization variables significantly influenced people's social cohesion, while group social ties have a positive influence on their collective minds.

Keywords: public space, social cohesion, knowledge-based development, theoretical framework

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Authors: Yasir Ali Soomro

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Companies that demonstrate corporate social responsibilities (CSR) are more likely to withstand any downturn or crises because of the trust built with stakeholders. Many firms are utilizing CSR marketing to improve the interactions with their various stakeholders, mainly the consumers. Most previous research on CSR has focused on the impact of CSR on customer responses and behaviors toward a company. As online food ordering and grocery shopping remains inevitable. This study will investigate structural relationships among consumer positive emotions (CPE) and negative emotions (CNE), Corporate Reputation (CR), Customer Trust (CT), Brand Image (BI), and Brand attitude (BA) on behavioral outcomes such as Online purchase intention (OPI) and Word of mouth (WOM) in retail grocery and food restaurants setting. Hierarchy of Effects Model will be used as theoretical, conceptual framework. The model describes three stages of consumer behavior: (i) cognitive, (ii) affective, and (iii) conative. The study will apply a quantitative method to test the hypotheses; a self-developed questionnaire with non-probability sampling will be utilized to collect data from 500 consumers belonging to generation X, Y, and Z residing in KSA. The study will contribute by providing empirical evidence to support the link between CSR and customer affective and conative experiences in Saudi Arabia. The theoretical contribution of this study will be empirically tested comprehensive model where CPE, CNE, CR, CT, BI, and BA act as mediating variables between the perceived CSR & Online purchase intention (OPI) and Word of mouth (WOM). Further, the study will add more to how the emotional/ psychological process mediates in the CSR literature, especially in the Middle Eastern context. The proposed study will also explain the effect of perceived CSR marketing initiatives directly and indirectly on customer behavioral responses.

Keywords: corporate social responsibility, corporate reputation, consumer emotions, loyalty, online purchase intention, word-of-mouth, structural equation modeling

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Authors: Chen Bo, Wen Zengping

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Based on the results of previous studies, we focus on the research of real ground motion selection and scaling method for structural performance-based seismic evaluation using nonlinear dynamic analysis. The input of earthquake ground motion should be determined appropriately to make them compatible with the site-specific hazard level considered. Thus, an optimized selection and scaling method are established including the use of not only Monte Carlo simulation method to create the stochastic simulation spectrum considering the multivariate lognormal distribution of target spectrum, but also a spectral shape parameter. Its applications in structural fragility analysis are demonstrated through case studies. Compared to the previous scheme with no consideration of the uncertainty of target spectrum, the method shown here can make sure that the selected records are in good agreement with the median value, standard deviation and spectral correction of the target spectrum, and greatly reveal the uncertainty feature of site-specific hazard level. Meanwhile, it can help improve computational efficiency and matching accuracy. Given the important infection of target spectrum’s uncertainty on structural seismic fragility analysis, this work can provide the reasonable and reliable basis for structural seismic evaluation under scenario earthquake environment.

Keywords: ground motion selection, scaling method, seismic fragility analysis, spectral shape

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Authors: M. Ntšolo, D. Kalumba, N. Lefu, G. Letlatsa

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Rock mass damage due to shear tectonic activity has been investigated largely in geoscience where fluid transport is of major interest. However, little has been studied on the effect of shear zones on rock mass behavior and its impact on stability of rock slopes. At Letšeng Diamonds open pit mine in Lesotho, the shear zone composed of sheared kimberlite material, calcite and altered basalt is forming part of the haul ramp into the main pit cut 3. The alarming rate at which the shear zone is deteriorating has triggered concerns about both local and global stability of pit the walls. This study presents the numerical modelling of the open pit slope affected by shear zone at Letšeng Diamond Mine (LDM). Analysis of the slope involved development of the slope model by using a two-dimensional finite element code RS2. Interfaces between shear zone and host rock were represented by special joint elements incorporated in the finite element code. The analysis of structural geological mapping data provided a good platform to understand the joint network. Major joints including shear zone were incorporated into the model for simulation. This approach proved successful by demonstrating that continuum modelling can be used to evaluate evolution of stresses, strain, plastic yielding and failure mechanisms that are consistent with field observations. Structural control due to geological shear zone structure proved to be important in its location, size and orientation. Furthermore, the model analyzed slope deformation and sliding possibility along shear zone interfaces. This type of approach can predict shear zone deformation and failure mechanism, hence mitigation strategies can be deployed for safety of human lives and property within mine pits.

Keywords: numerical modeling, open pit mine, shear zone, slope stability

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Authors: Mina Rabipour, Elena Pallaske, Floyd Hassenrück, Rocio Rebollido-Rios

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Protein tyrosine kinases, including Lyn kinase of the Src family kinases (SFK), regulate cell proliferation, survival, and differentiation. Lyn kinase has been implicated in various cancers, positioning it as a promising therapeutic target. However, the conserved ATP-binding pocket across SFKs makes developing selective inhibitors challenging. This study aims to address this limitation by exploring the potential for allosteric modulation of Lyn kinase, focusing on how its structural dynamics and specific oncogenic mutations impact its conformation and function. To achieve this, we combined homology modeling, molecular dynamics simulations, and data science techniques to conduct microsecond-length simulations. Our approach allowed a detailed investigation into the interplay between Lyn’s catalytic and regulatory domains, identifying key conformational states involved in allosteric regulation. Additionally, we evaluated the structural effects of Dasatinib, a competitive inhibitor, and ATP binding on Lyn active conformation. Notably, our simulations show that cancer-related mutations, specifically I364L/N and E290D/K, shift Lyn toward an inactive conformation, contrasting with the active state of the wild-type protein. This may suggest how these mutations contribute to aberrant signaling in cancer cells. We conducted a dynamical network analysis to assess residue-residue interactions and the impact of mutations on the Lyn intramolecular network. This revealed significant disruptions due to mutations, especially in regions distant from the ATP-binding site. These disruptions suggest potential allosteric sites as therapeutic targets, offering an alternative strategy for Lyn inhibition with higher specificity and fewer off-target effects compared to ATP-competitive inhibitors. Our findings provide insights into Lyn kinase regulation and highlight allosteric sites as avenues for selective drug development. Targeting these sites may modulate Lyn activity in cancer cells, reducing toxicity and improving outcomes. Furthermore, our computational strategy offers a scalable approach for analyzing other SFK members or kinases with similar properties, facilitating the discovery of selective allosteric modulators and contributing to precise cancer therapies.

Keywords: lyn tyrosine kinase, mutation analysis, conformational changes, dynamic network analysis, allosteric modulation, targeted inhibition

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Authors: Aline Woine, Moïra Mikolajczak, Virginie Dardier, Isabelle Roskam

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Background information: Becoming a parent is said to be the happiest event one can ever experience in one’s life. This popular (and almost absolute) truth–which no reasonable and decent human being would ever dare question on pain of being singled out as a bad parent–contrasts with the nuances that reality offers. Indeed, while many parents do thrive in their parenting role, some others falter and become progressively overwhelmed by their parenting role, ineluctably caught in a spiral of exhaustion. Parental burnout (henceforth PB) sets in when parental demands (stressors) exceed parental resources. While it is now generally acknowledged that PB affects the parent’s behavior in terms of neglect and violence toward their offspring, little is known about the impact that the syndrome might have on the children’s internalized (anxious and depressive symptoms, somatic complaints, etc.) and/or externalized (irritability, violence, aggressiveness, conduct disorder, oppositional disorder, etc.) behaviors. Furthermore, at the time of writing, to our best knowledge, no research has yet tested the reverse effect, namely, that of the child's internalized and/or externalized behaviors on the onset and/or maintenance of parental burnout symptoms. Goals and hypotheses: The present pioneering research proposes to fill an important gap in the existing literature related to PB by investigating the bidirectional effect between PB and the child’s internalized and/or externalized behaviors. Relying on a cross-lagged longitudinal study with three waves of data collection (4 months apart), our study tests a transactional model with bidirectional and recursive relations between observed variables and at the three waves, as well as autoregressive paths and cross-sectional correlations. Methods: As we write this, wave-two data are being collected via Qualtrics, and we expect a final sample of about 600 participants composed of French-speaking (snowball sample) and English-speaking (Prolific sample) parents. Structural equation modeling is employed using Stata version 17. In order to retain as much statistical power as possible, we use all available data and therefore apply the maximum likelihood with a missing value (mlmv) as the method of estimation to compute the parameter estimates. To limit (in so far is possible) the shared method variance bias in the evaluation of the child’s behavior, the study relies on a multi-informant evaluation approach. Expected results: We expect our three-wave longitudinal study to show that PB symptoms (measured at T1) raise the occurrence/intensity of the child’s externalized and/or internalized behaviors (measured at T2 and T3). We further expect the child’s occurrence/intensity of externalized and/or internalized behaviors (measured at T1) to augment the risk for PB (measured at T2 and T3). Conclusion: Should our hypotheses be confirmed, our results will make an important contribution to the understanding of both PB and children’s behavioral issues, thereby opening interesting theoretical and clinical avenues.

Keywords: exhaustion, structural equation modeling, cross-lagged longitudinal study, violence and neglect, child-parent relationship

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Authors: Vithaya Intraphimol

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The purpose of this study is to investigate the relationship between market orientation and business performance through innovations that include product innovation and process innovation. Auto parts and accessories companies in Thailand were used as sample for this investigation. Survey research with structured questionnaire was used as the key instrument in collecting the data. The structural equation modeling (SEM) was assigned test the hypotheses. The sample size in this study requires the minimum sample size of 200. The result found that competitor orientation, and interfunctional coordination has an effect on product innovation. Moreover, interfunctional coordination has an effect on process innovation, and return on asset. This indicates that within- firm coordination has crucial to firms’ performances. The implication for practice, firms should support interfunctional coordination that members of different functional areas of an organization communicate and work together for the creation of value to target buyers they may have better profitability.

Keywords: auto parts industry, business performance, innovations, market orientation

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Authors: Titus A. Beu

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Many modern gene-delivery protocols rely on condensed complexes of DNA with polycations to introduce the genetic payload into cells by endocytosis. In particular, polyethyleneimine (PEI) stands out by a high buffering capacity (enabling the efficient condensation of DNA) and relatively simple fabrication. Realistic computational studies can offer essential insights into the formation process of DNA-PEI polyplexes, providing hints on efficient designs and engineering routes. We present comprehensive computational investigations of solvated PEI and DNA-PEI polyplexes involving calculations at three levels: ab initio, all-atom (AA), and coarse-grained (CG) molecular mechanics. In the first stage, we developed a rigorous AA CHARMM (Chemistry at Harvard Macromolecular Mechanics) force field (FF) for PEI on the basis of accurate ab initio calculations on protonated model pentamers. We validated this atomistic FF by matching the results of extensive molecular dynamics (MD) simulations of structural and dynamical properties of PEI with experimental data. In a second stage, we developed a CG MARTINI FF for PEI by Boltzmann inversion techniques from bead-based probability distributions obtained from AA simulations and ensuring an optimal match between the AA and CG structural and dynamical properties. In a third stage, we combined the developed CG FF for PEI with the standard MARTINI FF for DNA and performed comprehensive CG simulations of DNA-PEI complex formation and condensation. Various technical aspects which are crucial for the realistic modeling of DNA-PEI polyplexes, such as options of treating electrostatics and the relevance of polarizable water models, are discussed in detail. Massive CG simulations (with up to 500 000 beads) shed light on the mechanism and provide time scales for DNA polyplex formation independence of PEI chain size and protonation pattern. The DNA-PEI condensation mechanism is shown to primarily rely on the formation of DNA bundles, rather than by changes of the DNA-strand curvature. The gained insights are expected to be of significant help for designing effective gene-delivery applications.

Keywords: DNA condensation, gene-delivery, polyethylene-imine, molecular dynamics.

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Authors: Pandiyarajan Thangaraj, Mangalaraja Ramalinga Viswanathan, Karthikeyan Balasubramanian, Héctor D. Mansilla, José Ruiz, David Contreras

Abstract:

We report a systematic study of structural and optical properties of Pr-doped ZnO nanostructures and PVA:Zn98Pr2O polymer matrix nanocomposites free standing films are performed. These particles are synthesized through simple wet chemical route and solution casting technique at room temperature, respectively. Structural studies carried out by X-ray diffraction method, confirms that the prepared pure ZnO and Pr-doped ZnO nanostructures are in hexagonal wurtzite structure and the microstrain is increased upon doping. TEM analysis reveals that the prepared materials are in the sheet-like nature. Absorption spectra show free excitonic absorption band at 370 nm and red shift for the Pr-doped ZnO nanostructures. The PVA:Zn98Pr2O composite film exhibits both free excitonic and PVA absorption bands at 282 nm. Fourier transform infrared spectral studies confirm the presence of A1 (TO) and E1 (TO) modes of Zn-O bond vibration and the formation of polymer composite materials.

Keywords: Pr doped ZnO, polymer nanocomposites, optical properties, free standing film

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Authors: Mohamed Aymen Slim, Afef Abdelkrim, Mohamed Benrejeb

Abstract:

The handwriting is a physical demonstration of a complex cognitive process learnt by man since his childhood. People with disabilities or suffering from various neurological diseases are facing so many difficulties resulting from problems located at the muscle stimuli (EMG) or signals from the brain (EEG) and which arise at the stage of writing. The handwriting velocity of the same writer or different writers varies according to different criteria: age, attitude, mood, writing surface, etc. Therefore, it is interesting to reconstruct an experimental basis records taking, as primary reference, the writing speed for different writers which would allow studying the global system during handwriting process. This paper deals with a new approach of the handwriting system modeling based on the velocity criterion through the concepts of artificial neural networks, precisely the Radial Basis Functions (RBF) neural networks. The obtained simulation results show a satisfactory agreement between responses of the developed neural model and the experimental data for various letters and forms then the efficiency of the proposed approaches.

Keywords: Electro Myo Graphic (EMG) signals, experimental approach, handwriting process, Radial Basis Functions (RBF) neural networks, velocity modeling

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Authors: M. Mousavi-Daramoroudi, H. Yousefnia, F. Abbasi-Davani, S. Zolghadri

Abstract:

In this study, ¹⁷⁷Lu-DOTATOC was prepared under optimized conditions (radiochemical purity: > 99%, radionuclidic purity: > 99%). The percentage of injected dose per gram (%ID/g) was calculated for organs up to 168 h post injection. Compartmental model was applied to mathematical description of the drug behaviour in tissue at different times. The biodistribution data showed the significant excretion of the radioactivity from the kidneys. The adrenal and pancreas, as major expression sites for somatostatin receptor (SSTR), had significant uptake. A pharmacokinetic model of ¹⁷⁷Lu-DOTATOC was presented by compartmental analysis which demonstrates the behavior of the complex.

Keywords: biodistribution, compartmental modeling, ¹⁷⁷Lu, Octreotide

Procedia PDF Downloads 220