Search results for: interpretive structural modeling

Authors: Martin Mensinger, Marjolaine Pfaffinger, Matthias Haslbeck

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The maintenance and expansion of the railway network represents a central task for transport planning in the future. In addition to the ultimate limit states, the aspects of resource conservation and sustainability are increasingly more necessary to include in the basic engineering. Therefore, as part of the AiF research project, ‘Integrated assessment of steel and composite railway bridges in accordance with sustainability criteria’, the entire lifecycle of engineering structures is involved in planning and evaluation, offering a way to optimize the design of steel bridges. In order to reduce the life cycle costs and increase the profitability of steel structures, it is particularly necessary to consider the demands on hanger connections resulting from fatigue. In order for accurate analysis, a number simulations were conducted as part of the research project on a finite element model of a reference bridge, which gives an indication of the internal forces of the individual structural components of a tied arch bridge, depending on the stress incurred by various types of trains. The calculations were carried out on a detailed FE-model, which allows an extraordinarily accurate modeling of the stiffness of all parts of the constructions as it is made up surface elements. The results point to a large impact of the formation of details on fatigue-related changes in stress, on the one hand, and on the other, they could depict construction-specific specifics over the course of adding stress. Comparative calculations with varied axle-stress distribution also provide information about the sensitivity of the results compared to the imposition of stress and axel distribution on the stress-resultant development. The calculated diagrams help to achieve an optimized hanger connection design through improved durability, which helps to reduce the maintenance costs of rail networks and to give practical application notes for the formation of details.

Keywords: fatigue, influence line, life cycle, tied arch bridge

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Authors: Ifeyinwa Orakwe, Ngozi Nwogu, Edward Gobina

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This work presents experimental results relating to the structural characterization of a commercially available alumina membrane. A γ-alumina mesoporous tubular membrane has been used. Nitrogen adsorption-desorption, scanning electron microscopy and gas permeability test has been carried out on the alumina membrane to characterize its structural features. Scanning electron microscopy (SEM) was used to determine the pore size distribution of the membrane. Pore size, specific surface area and pore size distribution were also determined with the use of the Nitrogen adsorption-desorption instrument. Gas permeation tests were carried out on the membrane using a variety of single and mixed gases. The permeabilities at different pressure between 0.05-1 bar and temperature range of 25-200oC were used for the single and mixed gases: nitrogen (N2), helium (He), oxygen (O2), carbon dioxide (CO2), 14%CO₂/N₂, 60%CO₂/N₂, 30%CO₂/CH4 and 21%O₂/N₂. Plots of flow rate verses pressure were obtained. Results got showed the effect of temperature on the permeation rate of the various gases. At 0.5 bar for example, the flow rate for N2 was relatively constant before decreasing with an increase in temperature, while for O2, it continuously decreased with an increase in temperature. In the case of 30%CO₂/CH4 and 14%CO₂/N₂, the flow rate showed an increase then a decrease with increase in temperature. The effect of temperature on the membrane performance of the various gases is presented and the influence of the trans membrane pressure drop will be discussed in this paper.

Keywords: alumina membrane, Nitrogen adsorption-desorption, scanning electron microscopy, gas permeation, temperature

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Authors: Muhammad L. A. Dwiyoga

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The condition of a spatial land in the industrial park needs special attention to be studied more deeply. Geoplanology modeling can help arrange area according to his ability. This research method is to perform the analysis of remote sensing, Geographic Information System, and more comprehensive analysis to determine geological characteristics and the ability to land on the area of research and its relation to the geological disaster. Cilegon is part of Banten province located in western Java, and the direction of the north is the Strait of Borneo. While the southern part is bordering the Indian Ocean. Morphology study area is located in the highlands to low. In the highlands of identified potential landslide prone, whereas in low-lying areas of potential flooding. Moreover, in the study area has the potential prone to earthquakes, this is due to the proximity of enough research to Mount Krakatau and Subdcution Zone. From the results of this study show that the study area has a susceptibility to landslides located around the District Waringinkurung. While the region as a potential flood areas in the District of Cilegon and surrounding areas. Based on the seismic data, this area includes zones with a range of magnitude 1.5 to 5.5 magnitude at a depth of 1 to 60 Km. As for the ability of its territory, based on the analyzes and studies carried out the need for renewal of the map Spatial Plan that has been made, considering the development of a fairly rapid Cilegon area.

Keywords: geoplanology, spatial plan, geological hazard, cilegon, Indonesia

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Authors: Ellen Van Den Oord, Julien Marie Jan Ferdinand Van Campen

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This article introduces a computationally efficient method for stacking sequence blending of composite structures. The computational efficiency makes the presented method especially interesting for composite structures with a large number of design regions. Optimization of composite structures with an unequal load distribution may lead to locally optimized thicknesses and ply orientations that are incompatible with one another. Blending constraints can be enforced to achieve structural continuity. In literature, many methods can be found to implement structural continuity by means of stacking sequence blending in one way or another. The complexity of the problem makes the blending of a structure with a large number of adjacent design regions, and thus stacking sequences, prohibitive. In this work the local stacking sequence optimization is preconditioned using a method found in the literature that couples the mechanical behavior of the laminate, in the form of lamination parameters, to blending constraints, yielding near-optimal easy-to-blend designs. The preconditioned design is then fed to the scheme using cellular automata that have been developed by the authors. The method is applied to the benchmark 18-panel horseshoe blending problem to demonstrate its performance. The computational efficiency of the proposed method makes it especially suited for composite structures with a large number of design regions.

Keywords: composite, blending, optimization, lamination parameters

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Authors: Enhui Wang, Qingzhu Ou, Yan Tang, Xiaodong Guo

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As one of most popular polyanionic compounds in lithium-ion cathode materials, Li3V2(PO4)3 has always suffered from the low rate capability especially during 3~4.8V, which is considered to be related with the ion diffusion resistance and structural transformation during the Li+ de/intercalation. Here, as the change of cut-off voltages, cycling numbers and current densities, the process of SEI interfacial film’s formation-growing- destruction-repair on the surface of the cathode, the structural transformation during the charge and discharge, the de/intercalation kinetics reflected by the electrochemical impedance and the diffusion coefficient, have been investigated in detail. Current density, cycle numbers and cut-off voltage impacting on interfacial film and structure was studied specifically. Firstly, the matching between electrolyte and material was investigated, it turned out that the batteries with high voltage electrolyte showed the best electrochemical performance and high voltage electrolyte would be the best electrolyte. Secondly, AC impedance technology was used to study the changes of interface impedance and lithium ion diffusion coefficient, the results showed that current density, cycle numbers and cut-off voltage influenced the interfacial film together and the one who changed the interfacial properties most was the key factor. Scanning electron microscopy (SEM) analysis confirmed that the attenuation of discharge specific capacity was associated with the destruction and repair process of the SEI film. Thirdly, the X-ray diffraction was used to study the changes of structure, which was also impacted by current density, cycle numbers and cut-off voltage. The results indicated that the cell volume of Li3V2 (PO4 )3 increased as the current density increased; cycle numbers merely influenced the structure of material; the cell volume decreased first and moved back gradually after two Li-ion had been deintercalated as the charging cut-off voltage increased, and increased as the intercalation number of Li-ion increased during the discharging process. Then, the results which studied the changes of interface impedance and lithium ion diffusion coefficient turned out that the interface impedance and lithium ion diffusion coefficient increased when the cut-off voltage passed the voltage platforms and decreased when the cut-off voltage was between voltage platforms. Finally, three-electrode system was first adopted to test the activation energy of the system, the results indicated that the activation energy of the three-electrode system (22.385 KJ /mol) was much smaller than that of two-electrode system (40.064 KJ /mol).

Keywords: cut-off voltage, de/intercalation kinetics, solid electrolyte interphase film, structural transformation

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Authors: Tesfay Gebremicheal Reda, K. Samatha, Paul Douglas Sanasi, D. Parajuli

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Nanoparticle technology is fast progressing and is being employed in innumerable medical applications. At this time, the public's health is seriously threatened by the rise of bacterial strains resistant to several medications. Metal nanoparticles are a potential alternate approach for tackling this global concern, and this is the main focus of this study. The citrate precursor sol-gel synthesis method was used to synthesize the Niₓ Co₁₋ₓ Fe₂ O₄, (where x = 0.0:0.2:1.0) nanoparticle. XRD identified the development of the cubic crystal structure to have a preferential orientation along (311), and the average particle size was found to be 29-38 nm. The average crystallizes assessed with ImageJ software and origin 22 of the SEM are nearly identical to the XRD results. In the created NCF NPs, the FT-IR spectroscopy reveals structural examinations and the redistribution of cations between octahedral (505-428 cm⁻¹) and tetrahedral (653-603 cm⁻¹) locales. As the Co²⁺ cation is substituted with Ni²⁺, the coercive fields HC decrease from 2384 Oe to 241.93 Oe. Band gap energy rises as Ni concentration increases, which may be attributed to the fact that the ionic radii of Ni²⁺ ions are smaller than that of Co²⁺ ions, which results in a strong electrostatic interaction. On the contrary, except at x = 0.4, the dielectric constant decreases as the nickel concentration increases. According to the findings of this research work, nanoparticles are composed of Ni₀.₄ Co₀.₆ Fe₂ O₄ have demonstrated a promising value against S. aureus and E. coli, and it suggests a proposed model for their potential use as a source of antibacterial agent.

Keywords: antimicrobial, band gap, citrate precursor, dielectric, nanoparticle

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Authors: Neda Azimi, Masoud Rahimi, Faezeh Mohammadi

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Computational fluid dynamics (CFD) simulation was performed to investigate the effect of ferrofluid stimulation on hydrodynamic and mass transfer characteristics of two immiscible liquid phases in a Y-micromixer. The main purpose of this work was to develop a numerical model that is able to simulate hydrodynamic of the ferrofluid flow under magnetic field and determine its effect on mass transfer characteristics. A uniform external magnetic field was applied perpendicular to the flow direction. The volume of fluid (VOF) approach was used for simulating the multiphase flow of ferrofluid and two-immiscible liquid flows. The geometric reconstruction scheme (Geo-Reconstruct) based on piecewise linear interpolation (PLIC) was used for reconstruction of the interface in the VOF approach. The mass transfer rate was defined via an equation as a function of mass concentration gradient of the transported species and added into the phase interaction panel using the user-defined function (UDF). The magnetic field was solved numerically by Fluent MHD module based on solving the magnetic induction equation method. CFD results were validated by experimental data and good agreements have been achieved, which maximum relative error for extraction efficiency was about 7.52 %. It was showed that ferrofluid actuation by a magnetic field can be considered as an efficient mixing agent for liquid-liquid two-phase mass transfer in microdevices.

Keywords: CFD modeling, hydrodynamic, micromixer, ferrofluid, mixing

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Authors: Ould Mohamed Cheikh, Mounir Chaik, Hind El Aakib, Mohamed Aggour, Abdelkader Outzourhit

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Zinc sulfide [ZnS] and oxygenated zinc sulfide Zn(O,S) thin films were deposited on glass substrates, by reactive cathodic radio-frequency (RF) sputtering. The substrates power and percentage of oxygen were varied in the range of 100W to 250W and from 5% to 20% respectively. The structural, morphological and optical properties of these thin films were investigated. The optical properties (mainly the refractive index, absorption coefficient and optical band gap) were examined by optical transmission measurements in the ultraviolet-visible-near Infrared wavelength range. XRD analysis indicated that all sputtered ZnS films were a single phase with a preferential orientation along the (111) plane of zinc blend (ZB). The crystallite size was in the range of 19.5 nm to 48.5 nm, the crystallite size varied with RF power reaching a maximum at 200 W. The Zn(O,S) films, on the other hand, were amorphous. UV-Visible, measurements showed that the ZnS film had more than 80% transmittance in the visible wavelength region while that of Zn(O,S is 85%. Moreover, it was observed that the band gap energy of the ZnS films increases slightly from 3.4 to 3.52 eV as the RF power was increased. The optical band gap of Zn(O,S), on the other hand, decreased from 4.2 to 3.89 eV as the oxygen partial pressure is increased in the sputtering atmosphere at a fixed RF-power. Scanning electron microscopy observations revealed smooth surfaces for both type of films. The X-ray reflectometry measurements on the ZnS films showed that the density of the films (3.9 g/cm3) is close that of bulk ZnS.

Keywords: thin films Zn(O, S) properties, Zn(O, S) by Rf-sputtering, ZnS for solar cells, thin films for renewable energy

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Authors: A. T. Al-Isawi, P. E. F. Collins

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The behaviour of structures exposed to fire after an earthquake is not a new area of engineering research, but there remain a number of areas where further work is required. Such areas relate to the way in which seismic excitation is applied to a structure, taking into account the effect of soil-structure interaction (SSI) and the method of analysis, in addition to identifying the excitation load properties. The selection of earthquake data input for use in nonlinear analysis and the method of analysis are still challenging issues. Thus, realistic artificial ground motion input data must be developed to certify that site properties parameters adequately describe the effects of the nonlinear inelastic behaviour of the system and that the characteristics of these parameters are coherent with the characteristics of the target parameters. Conversely, ignoring the significance of some attributes, such as frequency content, soil site properties and earthquake parameters may lead to misleading results, due to the misinterpretation of required input data and the incorrect synthesise of analysis hypothesis. This paper presents a study of the post-earthquake fire (PEF) performance of a multi-storey steel-framed building resting on soft clay, taking into account the effects of the nonlinear inelastic behaviour of the structure and soil, and the soil-structure interaction (SSI). Structures subjected to an earthquake may experience various levels of damage; the geometrical damage, which indicates the change in the initial structure’s geometry due to the residual deformation as a result of plastic behaviour, and the mechanical damage which identifies the degradation of the mechanical properties of the structural elements involved in the plastic range of deformation. Consequently, the structure presumably experiences partial structural damage but is then exposed to fire under its new residual material properties, which may result in building failure caused by a decrease in fire resistance. This scenario would be more complicated if SSI was also considered. Indeed, most earthquake design codes ignore the probability of PEF as well as the effect that SSI has on the behaviour of structures, in order to simplify the analysis procedure. Therefore, the design of structures based on existing codes which neglect the importance of PEF and SSI can create a significant risk of structural failure. In order to examine the criteria for the behaviour of a structure under PEF conditions, a two-dimensional nonlinear elasto-plastic model is developed using ABAQUS software; the effects of SSI are included. Both geometrical and mechanical damages have been taken into account after the earthquake analysis step. For comparison, an identical model is also created, which does not include the effects of soil-structure interaction. It is shown that damage to structural elements is underestimated if SSI is not included in the analysis, and the maximum percentage reduction in fire resistance is detected in the case when SSI is included in the scenario. The results are validated using the literature.

Keywords: Abaqus Software, Finite Element Analysis, post-earthquake fire, seismic analysis, soil-structure interaction

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Authors: H. N. Cheung

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Self-compassion encourages one to accept oneself, reduce self-criticism and self-judgment, and see one’s shortcomings and setbacks in a balanced view. Adolescent self-compassion is a crucial protective factor against mental illness. It is, however, affected by gender. Given the scarcity of self-compassion scales for adolescents, the current study evaluates the Self-Compassion Scale for Youth (SCS-Y) in a large cross-cultural sample and investigates how the subscales of SCS-Y relate to the dimensions of depressive symptoms across gender. Through the internet-based Qualtrics, a total of 2881 teenagers aged 12 to 18 years were recruited from Hong Kong (HK), China, and the United Kingdom. A Multiple Indicator Multiple Cause (MIMIC) model was used to evaluate measurement invariance of the SCS-Y, and differential item functioning (DIF) was checked across gender. Upon the establishment of the best model, a multigroup structural equation model (SEM) was built between factors of SCS-Y and Multidimensional depression assessment scale (MDAS) which assesses four dimensions of depressive symptoms (emotional, cognitive, somatic and interpersonal). The SCS-Y was shown to have good reliability and validity. The MIMIC model produced a good model fit for a hypothetical six-factor model (CFI = 0.980; TLI = 0.974; RMSEA = 0.038) and no item was flagged for DIF across gender. A gender difference was observed between SCS-Y factors and depression dimensions. Conclusions: The SCS-Y exhibits good psychometric characteristics, including measurement invariance across gender. The study also highlights the gender difference between self-compassion factors and depression dimensions.

Keywords: self compassion, gender, depression, structural equation modelling, MIMIC model

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Authors: Ji-Seok Koo, Hee‑Yong Kwon, Hui-Young Yun, Kyung-Hui Wang, Youn-Seo Koo

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This paper presents a forecasting system for PM2.5 levels in Seoul, South Korea, leveraging a combination of chemical transport modeling and ConvLSTM-DNN machine learning technology. Exposure to PM2.5 has known detrimental impacts on public health, making its prediction crucial for establishing preventive measures. Existing forecasting models, like the Community Multiscale Air Quality (CMAQ) and Weather Research and Forecasting (WRF), are hindered by their reliance on uncertain input data, such as anthropogenic emissions and meteorological patterns, as well as certain intrinsic model limitations. The system we've developed specifically addresses these issues by integrating machine learning and using carefully selected input features that account for local and distant sources of PM2.5. In South Korea, the PM2.5 concentration is greatly influenced by both local emissions and long-range transport from China, and our model effectively captures these spatial and temporal dynamics. Our PM2.5 prediction system combines the strengths of advanced hybrid machine learning algorithms, convLSTM and DNN, to improve upon the limitations of the traditional CMAQ model. Data used in the system include forecasted information from CMAQ and WRF models, along with actual PM2.5 concentration and weather variable data from monitoring stations in China and South Korea. The system was implemented specifically for Seoul's PM2.5 forecasting.

Keywords: PM2.5 forecast, machine learning, convLSTM, DNN

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Authors: Alexander Scott English, Yilin Ma, Xiaoying Liu

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The widespread use of artificial intelligence in everyday life has triggered a fervent discussion covering a wide range of areas. However, to date, research on the influence of gender in various segments and factors from a social science perspective is still limited. This study aims to explore whether there are gender differences in human trust in AI for its application in basic everyday life and correlates with human perceived similarity, perceived emotions (including competence and warmth), and attractiveness. We conducted a study involving 321 participants using a two-subject experimental design with a two-factor (masculinized vs. feminized voice of the AI) multiplied by a two-factor (pitch level of the AI's voice) between-subject experimental design. Four contexts were created for the study and randomly assigned. The results of the study showed significant gender differences in perceived similarity, trust, and perceived emotion of the AIs, with females rating them significantly higher than males. Trust was higher in relation to AIs presenting the same gender (e.g., human female to female AI, human male to male AI). Mediation modeling tests indicated that emotion perception and similarity played a sufficiently mediating role in trust. Notably, although trust in AIs was strongly correlated with human gender, there was no significant effect on the gender of the AI. In addition, the study discusses the effects of subjects' age, job search experience, and job type on the findings.

Keywords: artificial intelligence, gender differences, human-robot trust, mediation modeling

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Authors: H. Djaaboube, I. Loucif, Y. Bouachiba, R. Aouati, A. Maameri, A. Taabouche, A. Bouabellou

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Thin films of pure and barium-doped zinc oxide (ZnO) were prepared using a spray pyrolysis process. The films were deposited on glass substrates at 450°C. The different samples are characterized by X-ray diffraction (XRD) and UV-Vis spectroscopy. X-ray diffraction patterns reveal the formation of a single ZnO Wurtzite structure and the good crystallinity of the films. The substitution of Ba ions influences the texture of the layers and makes the (002) plane a preferential growth plane. At concentrations below 6% Ba, the hexagonal structure of ZnO undergoes compressive stresses due to barium ions which have a radius twice of the Zn ions. This result leads to the decrees of a and c parameters and, therefore, the volume of the unit cell. This result is confirmed by the decrease in the number of crystallites and the increase in the size of the crystallites. At concentrations above 6%, barium substitutes the zinc atom and modifies the structural parameters of the thin layers. The bandgap of ZnO films decreased with increasing doping; this decrease is probably due to the 4d orbitals of the Ba atom due to the sp-d spin-exchange interactions between the band electrons and the localized d-electrons of the substituted Ba ion. Although, the Urbache energy undergoes an increase which implies the creation of energy levels below the conduction band and decreases the band gap width. The photocatalytic activity of ZnO doped 9% Ba was evaluated by the photodegradation of methylene blue under UV irradiation.

Keywords: barium, doping, photodegradation, spray pyrolysis, ZnO

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Authors: Wojciech Górecki, Anna Sowiżdżał, Grzegorz Machowski, Tomasz Maćkowski, Bartosz Papiernik, Michał Stefaniuk

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The article shows results of the project which aims at evaluating possibilities of effective development and exploitation of natural gas from argillaceous series of the Autochthonous Miocene in the Carpathian Foredeep. To achieve the objective, the research team develop a world-trend based but unique methodology of processing and interpretation, adjusted to data, local variations and petroleum characteristics of the area. In order to determine the zones in which maximum volumes of hydrocarbons might have been generated and preserved as shale gas reservoirs, as well as to identify the most preferable well sites where largest gas accumulations are anticipated a number of task were accomplished. Evaluation of petrophysical properties and hydrocarbon saturation of the Miocene complex is based on laboratory measurements as well as interpretation of well-logs and archival data. The studies apply mercury porosimetry (MICP), micro CT and nuclear magnetic resonance imaging (using the Rock Core Analyzer). For prospective location (e.g. central part of Carpathian Foredeep – Brzesko-Wojnicz area) reprocessing and reinterpretation of detailed seismic survey data with the use of integrated geophysical investigations has been made. Construction of quantitative, structural and parametric models for selected areas of the Carpathian Foredeep is performed on the basis of integrated, detailed 3D computer models. Modeling are carried on with the Schlumberger’s Petrel software. Finally, prospective zones are spatially contoured in a form of regional 3D grid, which will be framework for generation modelling and comprehensive parametric mapping, allowing for spatial identification of the most prospective zones of unconventional gas accumulation in the Carpathian Foredeep. Preliminary results of research works indicate a potentially prospective area for occurrence of unconventional gas accumulations in the Polish part of Carpathian Foredeep.

Keywords: autochthonous Miocene, Carpathian foredeep, Poland, shale gas

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Authors: Mukhtar Raban

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As part of Nelson Mandela University’s journey of repositioning its learning and teaching agenda, the university adopted and foregrounded a humanizing pedagogy-aligning with institutional goals of critically transforming the academic project. The university established the Humanizing Pedagogy Praxis and Research Niche (HPPRN) as a centralized hub for coordinating institutional work exploring and advancing humanizing pedagogies and tasked the unit with developing and enacting a model for humanizing pedagogy exploration. This investigation endeavored to report on the development and enactment of a model that sought to institutionalize a humanizing pedagogy at a South African university. Having followed a qualitative approach, the investigation presents the case study of Nelson Mandela University’s HPPRN and the model it subsequently established and enacted for the advancement towards a more common institutional understanding, interpretation and application of the humanizing pedagogy. The study adopted an interpretive lens for analysis, complementing the qualitative approach of the investigation. The primary challenge that confronted the HPPRN was the development of a ‘living model’ that had to complement existing institutional initiatives while accommodating a renewed spirit of critical reflection, innovation and research of continued and new humanizing pedagogical exploration and applications. The study found that the explicit consideration of tenets of humanizing and critical pedagogies in underpinning and framing the HPPRN Model contributed to the sense of ‘lived’ humanizing pedagogy experiences during enactment. The multi-leveled inclusion of critical reflection in the development and enactment stages was found to further the processes of praxis employed at the university, which is integral to the advancement of humanizing and critical pedagogies. The development and implementation of a model that seeks to institutionalize the humanizing pedagogy at a university rely not only on sound theoretical conceptualization but also on the ‘richness of becoming more human’ explicitly expressed and encountered in praxes and application.

Keywords: humanizing pedagogy, critical pedagogy, institutional implementation, praxis

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Authors: S. Abera, T. Gidey, W. Terefe

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Introduction: Testing for HIV is the key entry point to HIV prevention, treatment, and care and support services. Hence, predictive data mining techniques can greatly benefit to analyze and discover new patterns from huge datasets like that of EDHS 2011 data. Objectives: The objective of this study is to build a predictive modeling for HIV testing and identify determinants of HIV testing for adults with age above fourteen years using data mining techniques. Methods: Cross-Industry Standard Process for Data Mining (CRISP-DM) was used to predict the model for HIV testing and explore association rules between HIV testing and the selected attributes among adult Ethiopians. Decision tree, Naïve-Bayes, logistic regression and artificial neural networks of data mining techniques were used to build the predictive models. Results: The target dataset contained 30,625 study participants; of which 16, 515 (53.9%) were women. Nearly two-fifth; 17,719 (58%), have never been tested for HIV while the rest 12,906 (42%) had been tested. Ethiopians with higher wealth index, higher educational level, belonging 20 to 29 years old, having no stigmatizing attitude towards HIV positive person, urban residents, having HIV related knowledge, information about family planning on mass media and knowing a place where to get testing for HIV showed an increased patterns with respect to HIV testing. Conclusion and Recommendation: Public health interventions should consider the identified determinants to promote people to get testing for HIV.

Keywords: data mining, HIV, testing, ethiopia

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Authors: Atnafu Ashenef Wondim

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In today’s highly competitive business environment, employees are considered a source of competitive advantage. Researchers have looked into job autonomy's effect on organizational commitment and declared superior organizational performance strongly depends on the effort and commitment of employees. The purpose of this study was to explore the relationship between job autonomy and organizational commitment from newcomer’s point of view. The mediation role of employee engagement (physical, emotional, and cognitive) was also examined in the case of Ethiopian Commercial Banks. An exploratory survey research design with mixed-method approach that included partial least squares structural equation modeling and Fuzzy-Set Qualitative Comparative Analysis technique were using to address the sample size of 348 new employees. In-depth interviews with purposive and convenientsampling techniques are conducted with new employees (n=43). The results confirmed that job autonomy had positive, significant direct effects on physical engagement, emotional engagement, and cognitive engagement (path coeffs. = 0.874, 0.931, and 0.893).The results showed thatthe employee engagement driver, physical engagement, had a positive significant influence on affective commitment (path coeff. = 0.187) and normative commitment (path coeff. = 0.512) but no significant effect on continuance commitment. Employee engagement partially mediates the relationship between job autonomy and organizational commitment, which means supporting the indirect effects of job autonomy on affective, continuance, and normative commitment through physical engagement. The findings of this study add new perspectives by positioning it within a complex organizational African setting and by expanding the job autonomy and organizational commitment literature, which will benefit future research. Much of the literature on job autonomy and organizational commitment has been conducted within a well-established organizational business context in Western developed countries.The findings lead to fresh information on job autonomy and organizational commitment implementation enablers that can assist in the formulation of a better policy/strategy to efficiently adopt job autonomy and organizational commitment.

Keywords: employee engagement, job autonomy, organizational commitment, social exchange theory

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Authors: Harish Rajak, Preeti Patel

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The application of histone deacetylase inhibitors is a well-known strategy in prevention of cancer which shows acceptable preclinical antitumor activity due to its ability of growth inhibition and apoptosis induction of cancer cell. Molecular docking were performed using Histone Deacetylase protein (PDB ID:1t69) and prepared series of hydroxamic acid based HDACIs. On the basis of docking study, it was predicted that compound 1 has significant binding interaction with HDAC protein and three hydrogen bond interactions takes place, which are essential for antitumor activity. On docking, most of the compounds exhibited better glide score values between -8 to -10 which is close to the glide score value of suberoylanilide hydroxamic acid. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. The 3D-QSAR models provided a good correlation between predicted and actual anticancer activity. Best QSAR model showed Q2 (0.7974), R2 (0.9200) and standard deviation (0.2308). QSAR visualization maps suggest that hydrogen bond acceptor groups at carbonyl group of cap region and hydrophobic groups at ortho, meta, para position of R9 were favorable for HDAC inhibitory activity. We established structure activity correlation using docking, pharmacophore modeling and atom based 3D QSAR model for hydroxamic acid based HDACIs.

Keywords: HDACIs, QSAR, e-pharmacophore, docking, suberoylanilide hydroxamic acid

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Authors: Norma Binti Alias, Che Rahim Che The, Norfarizan Mohd Said, Sakinah Abdul Hanan, Akhtar Ali

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This paper discusses on the transportation of magnetic drug targeting through blood within vessels, tissues and cells. There are three integrated mathematical models to be discussed and analyze the concentration of drug and blood flow through magnetic nanoparticles. The cell therapy brought advancement in the field of nanotechnology to fight against the tumors. The systematic therapeutic effect of Single Cells can reduce the growth of cancer tissue. The process of this nanoscale phenomena system is able to measure and to model, by identifying some parameters and applying fundamental principles of mathematical modeling and simulation. The mathematical modeling of single cell growth depends on three types of cell densities such as proliferative, quiescent and necrotic cells. The aim of this paper is to enhance the simulation of three types of models. The first model represents the transport of drugs by coupled partial differential equations (PDEs) with 3D parabolic type in a cylindrical coordinate system. This model is integrated by Non-Newtonian flow equations, leading to blood liquid flow as the medium for transportation system and the magnetic force on the magnetic nanoparticles. The interaction between the magnetic force on drug with magnetic properties produces induced currents and the applied magnetic field yields forces with tend to move slowly the movement of blood and bring the drug to the cancer cells. The devices of nanoscale allow the drug to discharge the blood vessels and even spread out through the tissue and access to the cancer cells. The second model is the transport of drug nanoparticles from the vascular system to a single cell. The treatment of the vascular system encounters some parameter identification such as magnetic nanoparticle targeted delivery, blood flow, momentum transport, density and viscosity for drug and blood medium, intensity of magnetic fields and the radius of the capillary. Based on two discretization techniques, finite difference method (FDM) and finite element method (FEM), the set of integrated models are transformed into a series of grid points to get a large system of equations. The third model is a single cell density model involving the three sets of first order PDEs equations for proliferating, quiescent and necrotic cells change over time and space in Cartesian coordinate which regulates under different rates of nutrients consumptions. The model presents the proliferative and quiescent cell growth depends on some parameter changes and the necrotic cells emerged as the tumor core. Some numerical schemes for solving the system of equations are compared and analyzed. Simulation and computation of the discretized model are supported by Matlab and C programming languages on a single processing unit. Some numerical results and analysis of the algorithms are presented in terms of informative presentation of tables, multiple graph and multidimensional visualization. As a conclusion, the integrated of three types mathematical modeling and the comparison of numerical performance indicates that the superior tool and analysis for solving the complete set of magnetic drug delivery system which give significant effects on the growth of the targeted cancer cell.

Keywords: mathematical modeling, visualization, PDE models, magnetic nanoparticle drug delivery model, drug release model, single cell effects, avascular tumor growth, numerical analysis

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Authors: Ali Ben Abbes, ImedRiadh Farah, Vincent Barra

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Remotely sensed data are a significant source for monitoring and updating databases for land use/cover. Nowadays, changes detection of urban area has been a subject of intensive researches. Timely and accurate data on spatio-temporal changes of urban areas are therefore required. The data extracted from multi-temporal satellite images are usually non-stationary. In fact, the changes evolve in time and space. This paper is an attempt to propose a methodology for changes detection in urban area by combining a non-stationary decomposition method and stochastic modeling. We consider as input of our methodology a sequence of satellite images I₁, I₂, … I_n at different periods (t = 1, 2, ..., n). Firstly, a preprocessing of multi-temporal satellite images is applied. (e.g. radiometric, atmospheric and geometric). The systematic study of global urban expansion in our methodology can be approached in two ways: The first considers the urban area as one same object as opposed to non-urban areas (e.g. vegetation, bare soil and water). The objective is to extract the urban mask. The second one aims to obtain a more knowledge of urban area, distinguishing different types of tissue within the urban area. In order to validate our approach, we used a database of Tres Cantos-Madrid in Spain, which is derived from Landsat for a period (from January 2004 to July 2013) by collecting two frames per year at a spatial resolution of 25 meters. The obtained results show the effectiveness of our method.

Keywords: multi-temporal satellite image, urban growth, non-stationary, stochastic model

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Authors: Aleš Florian, Lenka Ševelová

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Complex sensitivity analysis of stresses in a concrete slab of the real type of rigid pavement made from recycled materials is performed. The computational model of the pavement is designed as a spatial (3D) model, is based on a nonlinear variant of the finite element method that respects the structural nonlinearity, enables to model different arrangements of joints, and the entire model can be loaded by the thermal load. Interaction of adjacent slabs in joints and contact of the slab and the subsequent layer are modeled with the help of special contact elements. Four concrete slabs separated by transverse and longitudinal joints and the additional structural layers and soil to the depth of about 3m are modeled. The thickness of individual layers, physical and mechanical properties of materials, characteristics of joints, and the temperature of the upper and lower surface of slabs are supposed to be random variables. The modern simulation technique Updated Latin Hypercube Sampling with 20 simulations is used. For sensitivity analysis the sensitivity coefficient based on the Spearman rank correlation coefficient is utilized. As a result, the estimates of influence of random variability of individual input variables on the random variability of principal stresses s1 and s3 in 53 points on the upper and lower surface of the concrete slabs are obtained.

Keywords: concrete, FEM, pavement, sensitivity, simulation

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Authors: Chin Ku, Han liang Lin

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The purpose of this study is to visualize how the rule related to urban design influences the building form by 3D modeling software CityEngine. In order to make the goal of urban design clearly connect to urban form, urban planner or designer should understand how the rule affects the form, especially the building form. In Taiwan, the rule pertained to urban design includes traditional zoning, urban design review and building codes. However, zoning cannot precisely expect the outcome of building form and lack of thinking about public realm and 3D form. In addition to that, urban design review is based on case by case, do not have a comprehensive regulation plan and the building code is just for general regulation. Therefore, rule cannot make the urban form reach the vision or goal of the urban design. Consequently, another kind of zoning called Form-based code (FBC) has arisen. This study uses the component of FBC which pertained to urban fabric such as street width, block and plot size, etc., to be the variants of building form, and find out the relationship between the rule and building form. There are three stages of this research, it will start from a field survey of Taichung City in Taiwan to induce the rule-building form relationship by using cluster analysis and descriptive Statistics. Second, visualize the relationship through the parameterized and codified process in CityEngine which is the procedural modeling, and can analyze, monitor and visualize the 3D world. Last, compare the CityEngine result with real world to examine how extent do this model represent the real world appearance.

Keywords: 3D visualization, CityEngine, form-based code, urban form

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Authors: Alan Luo, Hunter N. B. Moseley

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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from x-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for x-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across x-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: biomacromolecular structure, coenzyme, electron density discrepancy analysis, x-ray crystallography

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Authors: Eqqab Maree, Habil Jurgen Bast, Zana K. Shakir

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Passive damping, once properly characterized and incorporated into the structure design is an autonomous mechanism. Passive damping can be achieved by applying layers of a polymeric material, called viscoelastic layers (VEM), to the base structure. This type of configuration is known as free or unconstrained layer damping treatment. A shear or constrained damping treatment uses the idea of adding a constraining layer, typically a metal, on top of the polymeric layer. Constrained treatment is a more efficient form of damping than the unconstrained damping treatment. In constrained damping treatment a sandwich is formed with the viscoelastic layer as the core. When the two outer layers experience bending, as they would if the structure was oscillating, they shear the viscoelastic layer and energy is dissipated in the form of heat. This form of energy dissipation allows the structural oscillations to attenuate much faster. The purpose behind this study is to predict damping effects by using two methods of passive viscoelastic constrained layer damping. First method is Euler-Bernoulli beam theory; it is commonly used for predicting the vibratory response of beams. Second method is Finite Element software packages provided in this research were obtained by using two-dimensional solid structural elements in ANSYS14 specifically eight nodded (SOLID183) and the output results from ANSYS 14 (SOLID183) its damped natural frequency values and mode shape for first five modes. This method of passive damping treatment is widely used for structural application in many industries like aerospace, automobile, etc. In this paper, take a steel cantilever sandwich beam with viscoelastic core type 3M-468 by using methods of passive viscoelastic constrained layer damping. Also can proved that, the percentage reduction of modal frequency between undamped and damped steel sandwich cantilever beam 8mm thickness for each mode is very high, this is due to the effect of viscoelastic layer on damped beams. Finally this types of damped sandwich steel cantilever beam with viscoelastic materials core type (3M468) is very appropriate to use in automotive industry and in many mechanical application, because has very high capability to reduce the modal vibration of structures.

Keywords: steel cantilever, sandwich beam, viscoelastic materials core type (3M468), ANSYS14, Euler-Bernoulli beam theory

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Authors: Sarra Zaied, Arthur Bonpain, Pierre Yves Fravallo

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The permanent supply of marine litter implies their accumulation in the oceans, which causes the presence of more compact wastes layers. Their Spatio-temporal distribution is never homogeneous and depends mainly on the hydrodynamic characteristics of the environment and the size and location of the wastes. As part of optimizing collect of marine plastic wastes, it is important to measure and monitor their evolution over time. For this, many research studies have been dedicated to describing the wastes behavior in order to identify their accumulation in oceans areas. Several models are therefore developed to understand the mechanisms that allow the accumulation and the displacements of marine litter. These models are able to accurately simulate the drift of wastes to study their behavior and stranding. However, these works aim to study the wastes behavior over a long period of time and not at the time of waste collection. This work investigates the transport of floating marine litter (FML) to provide basic information that can help in optimizing wastes collection by proposing a model for predicting their behavior during collection. The proposed study is based on a Lagrangian modeling approach that uses the main factors influencing the dynamics of the waste. The performance of the proposed method was assessed on real data collected from the Copernicus Marine Environment Monitoring Service (CMEMS). Evaluation results in the Java Sea (Indonesia) prove that the proposed model can effectively predict the position and the velocity of marine wastes during collection.

Keywords: floating marine litter, lagrangian transport, particle-tracking model, wastes drift

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Authors: Mohamed Eltarabily, Abdelazim Negm, Chihiro Yoshimura

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Recently, the pollution of groundwater from the use of nitrogenous fertilizer is at the increase. Also, due to the increase in area under cultivation and regular use of fertilizer in irrigated agriculture, groundwater pollution from agricultural activities is becoming a major concern. Because of the high mobility of Nitrate (NO3-) in soil which is governed by electrostatic processes, particularly anion exclusion, nitrate can be intercepted by shallow subsurface drainage pipe systems and then discharged offsite into streams, rivers, and lakes causing many hazards. In order to solve these environmental problems associated with nitrate, a better understanding of how NO3- moves through the soil profile under flow conditions is required. In the present paper, the results of a comparative study between experimental and numerical modeling of Nitrate transport through a saturated soil column are presented and analyzed. In order to achieve that, three water fluxes densities; 0.008, 0.007, and 0.006 m sec-1 and N concentration rates 10 mol cm-3 were used. The same concentrations were used in the simulation using HYDRUS-2D. The physical and chemical properties of the collected soil samples were calculated. Besides, the soil texture was determined which was silty sand. Results showed that HYDRUS-2D can successfully predict the relative behavior of N transport in the present experiment. Nitrate concentrations will reach deeper depth with the increase in the water flux. Overall, it was overestimated in the final concentration of (NO3-) in the soil by numerical simulation than by experimental column test. The column experiment is a useful tool for assessing the nitrate concentrations in the soil profile.

Keywords: groundwater, nitrate leaching, HYDRUS-2D, soil column

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Authors: Alaa Morsy, Youssef Ibrahim

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Earthquake is one of the most catastrophic events, which makes enormous harm to properties and human lives. As a piece of a safe building configuration, reinforced concrete walls are given in structures to decrease horizontal displacements under seismic load. Shear walls are additionally used to oppose the horizontal loads that might be incited by the impact of wind. Reinforced concrete walls in residential buildings might have openings that are required for windows in outside walls or for doors in inside walls or different states of openings due to architectural purposes. The size, position, and area of openings may fluctuate from an engineering perspective. Shear walls can encounter harm around corners of entryways and windows because of advancement of stress concentration under the impact of vertical or horizontal loads. The openings cause a diminishing in shear wall capacity. It might have an unfavorable impact on the stiffness of reinforced concrete wall and on the seismic reaction of structures. Finite Element Method using software package ‘ANSYS ver. 12’ becomes an essential approach in analyzing civil engineering problems numerically. Now we can make various models with different parameters in short time by using ANSYS instead of doing it experimentally, which consumes a lot of time and money. Finite element modeling approach has been conducted to study the effect of opening shape, size and position in RC wall with different thicknesses under axial and lateral static loads. The proposed finite element approach has been verified with experimental programme conducted by the researchers and validated by their variables. A very good correlation has been observed between the model and experimental results including load capacity, failure mode, and lateral displacement. A parametric study is applied to investigate the effect of opening size, shape, position on different reinforced concrete wall thicknesses. The results may be useful for improving existing design models and to be applied in practice, as it satisfies both the architectural and the structural requirements.

Keywords: Ansys, concrete walls, openings, out of plane behavior, seismic, shear wall

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Authors: Carla Maria Furuno Rimkus

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The technologies related to virtual reality and augmented reality in combination with mobile technologies, are being more consolidated and used each day. The increasing technological availability along with the decrease of their acquisition and maintenance costs, have favored the expansion of its use in the field of historic heritage. In this context it is focused, in this article, on the potential of mobile applications in the dissemination of the architectural heritage, using the technology of Augmented Reality. From this perspective approach, it is discussed about the process of producing an application for mobile devices on the Android platform, which combines the technologies of geometric modeling with augmented reality (AR) and access to interactive multimedia contents with cultural, social and historic information of the historic building that we take as the object of study: a block with a set of buildings built in the XVIII century, known as "Quarteirão dos Trapiches", which was modeled in 3D, coated with the original texture of its facades and displayed on AR. From this perspective approach, this paper discusses about methodological aspects of the development of this application regarding to the process and the project development tools, and presents our considerations on methodological aspects of developing an application for the Android system, focused on the dissemination of the architectural heritage, in order to encourage the tourist potential of the city in a sustainable way and to contribute to develop the digital documentation of the heritage of the city, meeting a demand of tourists visiting the city and the professionals who work in the preservation and restoration of it, consisting of architects, historians, archaeologists, museum specialists, among others.

Keywords: augmented reality, architectural heritage, geometric modeling, mobile applications

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Authors: Taimur Khan, Zakirullah, Muhammad Shahab

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The SARS-CoV-2 variant BA.2.86 (Omicron) has emerged with unique mutations that may increase its transmission and infectivity. This study investigates how these mutations alter the Omicron receptor-binding domain's interaction network and dynamic properties (RBD) compared to the wild-type virus, focusing on its binding affinity to the human ACE2 (hACE2) receptor. Protein-protein docking and all-atom molecular dynamics simulations were used to analyze structural and dynamic differences. Despite the structural similarity to the wild-type virus, the Omicron variant exhibits a distinct interaction network involving new residues that enhance its binding capacity. The dynamic analysis reveals increased flexibility in the RBD, particularly in loop regions crucial for hACE2 interaction. Mutations significantly alter the secondary structure, leading to greater flexibility and conformational adaptability compared to the wild type. Binding free energy calculations confirm that the Omicron RBD has a higher binding affinity (-70.47 kcal/mol) to hACE2 than the wild-type RBD (-61.38 kcal/mol). These results suggest that the altered interaction network and enhanced dynamics of the Omicron variant contribute to its increased infectivity, providing insights for the development of targeted therapeutics and vaccines.

Keywords: SARS-CoV-2, molecular dynamic simulation, receptor binding domain, vaccine

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Authors: Sakiru Badmos, David R. Cole, Alberto Striolo

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It is known that confinement in nm-size pores affects many structural and transport properties of water and co-existing volatile species. Of particular interest for fluids in sub-surface systems, in catalysis, and in separations are reports that confinement can enhance the solubility of gases in water. Equilibrium molecular dynamics simulations were performed for aqueous H₂S confined in slit-shaped silica pores at 313K. The effect of pore width on the H₂S solubility in water was investigated. Other properties of interest include the molecular distribution of the various fluid molecules within the pores, the hydration structure for solvated H₂S molecules, and the dynamical properties of the confined fluids. The simulation results demonstrate that confinement reduces the H₂S solubility in water and that the solubility increases with pore size. Analysis of spatial distribution functions suggests that these results are due to perturbations on the coordination of water molecules around H₂S due to confinement. Confinement is found to dampen the dynamical properties of aqueous H₂S as well. Comparing the results obtained for aqueous H₂S to those reported elsewhere for aqueous CH₄, it can be concluded that H₂S permeates hydrated slit-shaped silica nano-pores faster than CH₄. In addition to contributing to better understanding the behavior of fluids in subsurface formations, these observations could also have important implications for developing new natural gas sweetening technologies.

Keywords: confinement, interfacial properties, molecular dynamic simulation, sub-surface formations

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