Search results for: molecular modelling

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: Rivindu Nethmin Bandara Menik Hitihamy Mudiyanselage, Matthias Hank Haeusler, Ben Doherty

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Investors and clients in the Architectural, Engineering and Construction industry find it difficult to understand complex datasets and reports with little to no graphic representation. The stakeholders examined in this paper include designers, design clients and end-users. Communicating embodied carbon information graphically and concisely can aid with decision support early in a building's life cycle. It is essential to create a common visualisation approach as the level of knowledge about embodied carbon varies between stakeholders. The tool, designed in conjunction with Bates Smart, condenses Tally Life Cycle Assessment data to a carbon hot-spotting visualisation, highlighting the sections with the highest amounts of embodied carbon. This allows stakeholders at every stage of a given project to have a better understanding of the carbon implications with minimal effort. It further allows stakeholders to differentiate building elements by their carbon values, which enables the evaluation of the cost-effectiveness of the selected materials at an early stage. To examine and build a decision-support tool, an action-design research methodology of cycles of iterations was used along with precedents of embodied carbon visualising tools. Accordingly, the importance of visualisation and Building Information Modelling are also explored to understand the best format for relaying these results.

Keywords: embodied carbon, visualisation, summarisation, data filtering, early-stage decision-making, materiality

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Authors: Tahsin Toma Sabbagh, Ihsan Al-Abboodi, Ali Al-Jazaairry

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Allowable-bearing capacity is the competency of soil to safely carries the pressure from the superstructure without experiencing a shear failure with accompanying excessive settlements. Ensuring a safe bearing pressure with respect to failure does not tolerate settlement of the foundation will be within acceptable limits. Therefore, settlement analysis should always be performed since most structures are settlement sensitive. When visualising the movement of a soil wedge in the bearing capacity criterion, both vertically and horizontally, it becomes clear that by confining the soil surrounding the foundation, both the bearing capacity and settlement values improve. In this study, two sizes of spread foundation were considered; (2×4) m and (3×5) m. These represent two real problem case studies of an existing building. The foundations were analysed in terms of dimension as well as position with respect to a confining wall (i.e., sheet piles on both sides). Assuming B is the least foundation dimension, the study comprised the analyses of three distances; (0.1 B), (0.5 B), and (0.75 B) between the sheet piles and foundations alongside three depths of confinement (0.5 B), (1 B), and (1.5 B). Nonlinear three-dimensional finite element analysis (ANSYS) was adopted to perform an analytical investigation on the behaviour of the two foundations contained by the case study. Results showed that confinement of foundations reduced the overall stresses near the foundation by 65% and reduced the vertical displacement by 90%. Moreover, the most effective distance between the confinement wall and the foundation was found to be 0.5 B.

Keywords: bearing capacity, cohesionless soils, soil confinement, soil modelling, spread footings

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Authors: Himanshi Allahabadi

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Plants have found a widespread use in medicine traditionally, including the treatment of cognitive disorders, especially, neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease. In terms of indigenous medicine, it has been found that many potential drugs can be isolated from plant products, including those for dementia. Plant product is widely distributed in plant kingdom and forms a major antioxidant source in the human diet, is Polyphenols. There are four important groups of polyphenols: phenolic acids, flavonoids, stilbenes, and lignans. Due to their high antioxidant capacity, interest in their study has greatly increased. There are several methods for discovering and characterizing active compounds isolated from plant sources, now available. The results obtained so far seem fulfilling, but additionally, mechanism of functioning of polyphenols at the molecular level, as well as their application in human health need to be researched upon. Also, even though the neuroprotective effects of flavonoids have been much talked about, much of the data in support of this statement has come from animal studies rather than human studies. This review is based on a multi-faceted study of medicinal plants, i.e. phytochemicals, with special focus on flavanones and their relevance in remedy of Parkinson's disease.

Keywords: dementia, parkinson's disease, flavanones, polyphenols, substantia nigra

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Authors: Azimeh Rajaee, Lingyun Zhao, Shi Wang, Yaqiang Liu

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In recent years many studies have been focused on bismuth-based nanoparticles as radiosensitizer and contrast agent in radiation therapy and imaging due to the high atomic number (Z = 82), high photoelectric absorption, low cost, and low toxicity. This study aims to introduce a new multifunctional bismuth-based nanoparticle as a theranostic agent for radiotherapy, computed tomography (CT) and magnetic resonance imaging (MRI). We synthesized bismuth ferrite (BFO, BiFeO3) nanoparticles by sol-gel method and surface of the nanoparticles were modified by Polyethylene glycol (PEG). After proved biocompatibility of the nanoparticles, the ability of them as contract agent in Computed tomography (CT) and magnetic resonance imaging (MRI) was investigated. The relaxation time rate (R2) in MRI and Hounsfield unit (HU) in CT imaging were increased with the concentration of the nanoparticles. Moreover, the effect of nanoparticles on dose enhancement in low energy was investigated by clonogenic assay. According to clonogenic assay, sensitizer enhancement ratios (SERs) were obtained as 1.35 and 1.76 for nanoparticle concentrations of 0.05 mg/ml and 0.1 mg/ml, respectively. In conclusion, our experimental results demonstrate that the multifunctional nanoparticles have the ability to employ as multimodal imaging and therapy to enhance theranostic efficacy.

Keywords: molecular imaging, nanomedicine, radiotherapy, theranostics

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Authors: S. H. Allehyani, H. S. Ibrahim, F. M. Ali, E. Sayd, T. Abou Aiad

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The present study aimed to analyse the radiation risk associated with the exposure of haemoglobin (Hb) of rat red blood cells (rbcs) exposed to a 50-Hz 6-kV/m electric field, a fast neutron dose of 1 mSv, and mixed radiation from fast neutrons and an electric field distributed over a period of three weeks at a rate of 5 days/week and 8 hours/day. The dielectric measurements and the absorption spectra for the haemoglobin molecule in the frequency range of 1 kHz to 5 MHz were measured for all of the samples. The dielectric relaxation results demonstrated an increase in the dielectric increment (∆ε) for the rbcs from all of the irradiated animals, which indicates an increase in the electric dipole. Moreover, the results revealed a decrease in the relaxation time (τ) and the molecular radius (r) of the irradiated molecules, which indicates that the increase in ∆ε is mainly due to a pronounced increase in the centre of mass of the charge on the electric dipole of the Hb molecule. The results from the absorption spectra indicate that the ratio of met-haemoglobin to oxy-haemoglobin is altered by irradiation. Moreover, the results from the delayed effect studies show that the structure and function of the newly generated Hb molecules are altered and dissimilar to that of healthy Hb.

Keywords: rat red blood cell haemoglobin, dielectric properties, absorption spectra, biochemical analysis

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Authors: Vishal Kumar, Soumitra Satapathi

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Föster Resonance Energy Transfer (FRET) is a powerful technique used to probe close-range molecular interactions. Physically, the FRET phenomenon manifests as a dipole–dipole interaction between closely juxtaposed fluorescent molecules (10–100 Å). Our effort is to employ this FRET technique to make a prototype device for highly sensitive detection of environment pollutant. Among the most common environmental pollutants, nitroaromatic compounds (NACs) are of particular interest because of their durability and toxicity. That’s why, sensitive and selective detection of small amounts of nitroaromatic explosives, in particular, 2,4,6-trinitrophenol (TNP), 2,4-dinitrotoluene (DNT) and 2,4,6-trinitrotoluene (TNT) has been a critical challenge due to the increasing threat of explosive-based terrorism and the need of environmental monitoring of drinking and waste water. In addition, the excessive utilization of TNP in several other areas such as burn ointment, pesticides, glass and the leather industry resulted in environmental accumulation, and is eventually contaminating the soil and aquatic systems. To the date, high number of elegant methods, including fluorimetry, gas chromatography, mass, ion-mobility and Raman spectrometry have been successfully applied for explosive detection. Among these efforts, fluorescence-quenching methods based on the mechanism of FRET show good assembly flexibility, high selectivity and sensitivity. Here, we report a FRET-based sensor system for the highly selective detection of NACs, such as TNP, DNT and TNT. The sensor system is composed of a copolymer Poly [(N,N-dimethylacrylamide)-co-(Boc-Trp-EMA)] (RP) bearing tryptophan derivative in the side chain as donor and dansyl tagged copolymer P(MMA-co-Dansyl-Ala-HEMA) (DCP) as an acceptor. Initially, the inherent fluorescence of RP copolymer is quenched by non-radiative energy transfer to DCP which only happens once the two molecules are within Förster critical distance (R0). The excellent spectral overlap (Jλ= 6.08×10¹⁴ nm⁴M⁻¹cm⁻¹) between donors’ (RP) emission profile and acceptors’ (DCP) absorption profile makes them an exciting and efficient FRET pair i.e. further confirmed by the high rate of energy transfer from RP to DCP i.e. 0.87 ns⁻¹ and lifetime measurement by time correlated single photon counting (TCSPC) to validate the 64% FRET efficiency. This FRET pair exhibited a specific fluorescence response to NACs such as DNT, TNT and TNP with 5.4, 2.3 and 0.4 µM LODs, respectively. The detection of NACs occurs with high sensitivity by photoluminescence quenching of FRET signal induced by photo-induced electron transfer (PET) from electron-rich FRET pair to electron-deficient NAC molecules. The estimated stern-volmer constant (KSV) values for DNT, TNT and TNP are 6.9 × 10³, 7.0 × 10³ and 1.6 × 104 M⁻¹, respectively. The mechanistic details of molecular interactions are established by time-resolved fluorescence, steady-state fluorescence and absorption spectroscopy confirmed that the sensing process is of mixed type, i.e. both dynamic and static quenching as lifetime of FRET system (0.73 ns) is reduced to 0.55, 0.57 and 0.61 ns DNT, TNT and TNP, respectively. In summary, the simplicity and sensitivity of this novel FRET sensor opens up the possibility of designing optical sensor of various NACs in one single platform for developing multimodal sensor for environmental monitoring and future field based study.

Keywords: FRET, nitroaromatic, stern-Volmer constant, tryptophan and dansyl tagged copolymer

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Authors: Mina Mortazavi

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The common approach in the construction industry for restraint requirements in existing structures or new constructions is to have Non-Structural Components (NSCs) assembled and installed on-site by different MEP subcontractors. This leads to a lack of coordination and higher costs, construction time, and complications due to inaccurate building information modelling (BIM) systems. Introducing NSCs to a consistent BIM system from the beginning of the design process and considering their seismic loads in the analysis and design process can improve coordination and reduce costs and time. One solution is to use prefabricated mounts with attached MEPs delivered as an integral module. This eliminates the majority of coordination complications and reduces design and installation costs and time. An advanced approach is to have as many NSCs as possible installed in the same prefabricated module, which gives the structural engineer the opportunity to consider the involved component weights and locations in the analysis and design of the prefabricated support. This efficient approach eliminates coordination and access issues, leading to enhanced quality control. This research will focus on the existing literature on modular sub-assemblies that are integrated with architectural and structural components. Modular MEP systems take advantage of the precision provided by BIM tools to meet exact requirements and achieve a buildable design every time. Modular installations that include MEP systems provide efficient solutions for the installation of MEP services or components.

Keywords: building services, modularisation, prefabrication, integral building design

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Authors: K. R. Sultana, K. Pope, Y. S. Muzychka

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In recent years, the research of heat transfer or phase change phenomena of liquid water droplets experiences a growing interest in aircraft icing, power transmission line icing, marine icing and wind turbine icing applications. This growing interest speeding up the research from single to multiple droplet phenomena. Impingements of multiple droplets and the resulting solidification phenomena after impact on a very cold surface is computationally studied in this paper. The model used in the current study solves the flow equation, composed of energy balance and the volume fraction equations. The main aim of the study is to investigate the effects of several thermo-physical properties (density, thermal conductivity and specific heat) on droplets freezing. The outcome is examined by various important factors, for instance, liquid fraction, total freezing time, droplet temperature and total heat transfer rate in the interface region. The liquid fraction helps to understand the complete phase change phenomena during solidification. Temperature distribution and heat transfer rate help to demonstrate the overall thermal exchange behaviors between the droplets and substrate surface. Findings of this research provide an important technical achievement for ice modeling and prediction studies.

Keywords: droplets, CFD, thermos-physical properties, solidification

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Authors: Zita Šereš, Ljubica Dokić, Nikola Maravić, Dragana Šoronja Simović, Cecilia Hodur, Ivana Nikolić, Biljana Pajin

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New environmental regulations and the increasing market preference for companies that respect the ecosystem had encouraged the industry to look after new treatments for its effluents. The sugar industry, one of the largest emitter of environmental pollutants, follows this tendency. Membrane technology is convenient for separation of suspended solids, colloids and high molecular weight materials that are present in a wastewater from the sugar industry. The idea is to microfilter the wastewater, where the permeate passes through the membrane and becomes available for recycle and re-use in the sugar manufacturing process. For microfiltration of this effluent a tubular ceramic membrane was used with a pore size of 200 nm at transmembrane pressure in range of 1 – 3 bars and in range of flow rate of 50 – 150 l/h. Kenics static mixer was used for permeate flux enhancement. Turbidity and suspended solids were removed and the permeate flux was continuously monitored during the microfiltration process. The flux achieved after 90 minutes of microfiltration was in a range of 50-70 L/m2h. The obtained turbidity decrease was in the range of 50-99% and the total amount of suspended solids was removed.

Keywords: ceramic membrane, microfiltration, permeate flux, sugar industry, wastewater

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Authors: Wardatutthoyyibah, Satyawan Pudyatmoko, Sena Adi Subrata, Muhammad Ali Imron

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The proboscis monkey is an endemic species to the island of Borneo with conservation status IUCN (The International Union for Conservation of Nature) of endangered. The population of the monkey has a specific habitat and sensitive to habitat disturbances. As a consequence of increasing rates of land-use change in the last four decades, its population was reported significantly decreased. We quantified the effect of land use change on the proboscis monkey’s habitat through the species distribution modeling (SDM) approach with Maxent Software. We collected presence data and environmental variables, i.e., land cover, topography, bioclimate, distance to the river, distance to the road, and distance to the anthropogenic disturbance to generate predictive distribution maps of the monkeys. We compared two prediction maps for 2000 and 2015 data to represent the current habitat of the monkey. We overlaid the monkey’s predictive distribution map with the existing protected areas to investigate whether the habitat of the monkey is protected under the protected areas networks. The results showed that almost 50% of the monkey’s habitat reduced as the effect of land use change. And only 9% of the current proboscis monkey’s habitat within protected areas. These results are important for the master plan of conservation of the endangered proboscis monkey and provide scientific guidance for the future development incorporating biodiversity issue.

Keywords: endemic species, land use change, maximum entropy, spatial distribution

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Authors: Jiahui Song, Ravindra Joshi

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High-intensity, nanosecond, pulsed electric fields have been shown to be useful non-thermal tools capable of producing a variety of specific cellular responses. While reversible and temporary changes are often desired based on electromanipulation, irreversible effects can also be important objectives. These include elimination of tumor cells and bacterial decontamination. A simple model-based rate-equation treatment of the various cellular biochemical processes was used to qualitatively predict the pulse number-dependent caspase activation and cell survival trends. The model incorporated the caspase-8 associated extrinsic pathway, the delay inherent in its activation, cytochrome c release, and the internal feedback mechanism between caspase-3 and Bid. Results were roughly in keeping with the experimental cell-survival data. A pulse-number threshold was predicted followed by a near-exponential fall-off. The intrinsic pathway was shown to be much weaker as compared to the extrinsic mechanism for electric pulse induced cell apoptosis. Also, delays of about an hour are predicted for detectable molecular concentration increases following electrical pulsing.

Keywords: apoptosis, cell survival, model, pathway

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Authors: Zhuoyuan Wang, Benson T. H. Lim, Imriyas Kamardeen

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Effective service quality management has long been touted as a means of improving project and organisational performance. Particularly, in construction projects, main contractors are often seen as a broker between clients and subcontractors, and their service quality is thus associated with the overall project affinity and outcomes. While a considerable amount of research has focused on the aspect of clients-main contractors, very little research has been done to explore the effect of contractors’ service quality on subcontractors’ behaviours and so project outcomes. In addressing this gap, this study surveyed 97 subcontractors in the Chinese Construction industry and data was analysed using the Partial Least Square (PLS) Structural Equation Modelling (SEM) technique. The overall findings reveal that subcontractors categorised main contractors’ service quality into three dimensions: assurance; responsiveness; reliability and empathy. Of these, it is found that main contractors’ ‘assurance’ and ‘responsiveness’ positively influence subcontractors’ intention to engage in contractual behaviours. The results further show that the subcontractors’ intention to engage in organizational citizenship behaviours is associated with how flexible and committed the main contractors are in reliability and empathy. Collectively, both subcontractors’ contractual and organizational citizenship behaviours positively influence the overall project outcomes. In conclusion, the findings inform contractors different strategies towards managing and gaining subcontractors’ behaviour commitment in a socially connected, yet complex and uncertain, business environment.

Keywords: construction firms, organisational citizenship behaviour, service quality, social exchange theory

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Authors: Dilani Wimalasiri, Robert Brkljaca, Sylvia Urban, Terrence Piva, Tien Huynh

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Momordica cochinchinensis (Cucurbitaceae) is used as food and traditional medicine in South East Asia and is commonly known as Red Gac. The fruit aril consists 70 times higher lycopene and 10 times higher β-carotene than all known fruits and vegetables. Despite its nutritional value there is little information available on its genetic variation and its influence on nutritional value. In this study; genetic and nutritional variation (lycopene and β-carotene) was investigated among 47 M. cochinchinensis samples collected from Australia, Thailand and Vietnam using molecular markers (RAPD and ISSR) and HPLC, respectively. UPGMA based cluster analysis of genetic data grouped Northern and Central Vietnam samples together but were separated from Australia, Thailand and Southern Vietnam samples. The concentration of lycopene was significantly higher among the samples collected from Central Vietnam (p<0.05) and the concentration of β-carotene was significantly higher among the samples collected from Northern Vietnam (p<0.05) indicating the existence of best varieties. This study provides vital information in genetic diversity and facilitates the selection and breeding for nutritious M. cochinchinensis varieties.

Keywords: momordica cochinchinensis, lycopene, beta carotene, genetic diversity

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Authors: Tawfiq Chekifi, Brahim Dennai, Rachid Khelfaoui

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Over the last few decades, modeling immiscible fluids such as oil and water have been a classical research topic. Droplet-based microfluidics presents a unique platform for mixing, reaction, separation, dispersion of drops, and numerous other functions. For this purpose, several devices were studied, as well as microfluidic oscillator. The latter was obtained from wall attachment microfluidic amplifiers using a feedback loop from the outputs to the control inputs, nevertheless this device have not well used for microdrops applications. In this paper, we suggest a numerical CFD study of a microfluidic oscillator with two different lengths of feedback loop. In order to produce simultaneous microdrops of gasoil on water, a typical geometry that includes double T-junction is connected to the fluidic oscillator. The generation of microdrops is computed by volume-of-fluid method (VOF). Flow oscillations of microdrops were triggered by the Coanda effect of jet flow. The aim of work is to obtain a high oscillation frequency in output of this passive device, the influence of hydrodynamics and physics parameters on the microdrops frequency in the output of our microsystem is also analyzed, The computational results show that, the length of feedback loop, applied pressure on T-junction and interfacial tension have a significant effect on the dispersion of microdrops and its oscillation frequency. Across the range of low Reynold number, the microdrops generation and its dynamics have been accurately controlled by adjusting applying pressure ratio of two phases.

Keywords: fluidic oscillator, microdrops manipulation, VOF (volume of fluid method), microfluidic oscillator

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Authors: Ann-May Marais

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South African higher education institutions are following the global adoption of a blended approach to teaching and learning. Blended learning is viewed as a transformative teaching-learning approach, as it provides students with the optimum experience by mixing the best of face-to-face and online learning. Although academics realise the benefits of blended learning, they find it challenging and time-consuming to implement blended strategies. Professional development is a critical component of the adoption of higher education teaching-learning approaches. The Institutional course for higher education academics offered at a South African University was designed in a blended model, implemented and evaluated. This paper reports on a study that investigated the experiences of academics on the blended approach used during the induction course. A qualitative design-based research methodology was employed, and data was collected using participant feedback and document analysis. The data gathered from each of the four ICNL offerings were used to inform the design of the next course. Findings indicated that lecturers realised that blended learning could cater to student diversity, different learning styles, engagement, and innovation. Furthermore, it emerged that the course has to cater for diversity in technology proficiency and readiness of participants. Participants also require ongoing support in technology usage and discipline-specific blended learning workshops. This paper contends that the modelling of a blended approach to professional development can be an effective way to motivate academics to apply blended learning in their teaching-learning experiences.

Keywords: blended learning, professional development, induction course, integration of technology

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Authors: Amine Mezni, Merfat Algethami, Ali Aldalbahi, Arwa Alrooqi, Abel Santos, Dusan Losic, Sarah Alharthi, Tariq Altalhi

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In situ synthesis of carbon nanotubes featuring different diameters (10-200 nm), lengths (1 to 100 µm) and periodically nanostructured shape was performed in a custom designed chemical vapor deposition (CVD) system using nanoporous anodic alumina (NAA) under different conditions. The morphology of the resulting CNTs/NAA composites and free-standing CNTs were analyzed by transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The results confirm that highly ordered arrays of CNTs with precise control of nanotube dimensions in the range 20-200 nm with tube length in the range < 1 µm to > 100 μm and with periodically shaped morphology can be fabricated using nanostructured NAA templates prepared by anodization. This technique allows us to obtain tubes open at one / both ends with a uniform diameter along the pore length without using any metal catalyst. Our finding suggests that this fabrication strategy for designing new CNTs membranes and structures can be significant for emerging applications as molecular separation/transport, optical biosensing, and drug delivery.

Keywords: carbon nanotubes, CVD approach, composites membrane, nanoporous anodic alumina

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Authors: Ahmed. A. Hossam Eldin, Karim H. Youssef, Kareem M. AboRas

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Recent current rapid industrial development and energy shortage are essential problems, which face most of the developing countries. Moreover, increased prices of fossil fuel and advanced energy conversion technology lead to the need for renewable energy resources. A study, modelling and simulation of an outdoor micro scale stand alone wind turbine was carried out. For model validation an experimental study was applied. In this research the aim was to clarify effects of real outdoor operating conditions and the instantaneous fluctuations of both wind direction and wind speed on the actual produced power. The results were compared with manufacturer’s data. The experiments were carried out in Borg Al-Arab, Alexandria. This location is on the north Western Coast of Alexandria. The results showed a real max output power for outdoor micro scale wind turbine, which is different from manufacturer’s value. This is due to the fact that the direction of wind speed is not the same as that of the manufacturer’s data. The measured wind speed and direction by the portable metrological weather station anemometer varied with time. The blade tail response could not change the blade direction at the same instant of the wind direction variation. Therefore, designers and users of micro scale wind turbine stand alone system cannot rely on the maker’s name plate data to reach the required power.

Keywords: micro-turbine, wind turbine, inverters, renewable energy, hybrid system

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Authors: Ajai Singh

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Simulation of hydrological processes at the watershed outlet through modelling approach is essential for proper planning and implementation of appropriate soil conservation measures in Damodar Barakar catchment, Hazaribagh, India where soil erosion is a dominant problem. This study quantifies the parametric uncertainty involved in simulation of stream flow using Soil and Water Assessment Tool (SWAT), a watershed scale model and Radial Basis Neural Network (RBNN), an artificial neural network model. Both the models were calibrated and validated based on measured stream flow and quantification of the uncertainty in SWAT model output was assessed using ‘‘Sequential Uncertainty Fitting Algorithm’’ (SUFI-2). Though both the model predicted satisfactorily, but RBNN model performed better than SWAT with R2 and NSE values of 0.92 and 0.92 during training, and 0.71 and 0.70 during validation period, respectively. Comparison of the results of the two models also indicates a wider prediction interval for the results of the SWAT model. The values of P-factor related to each model shows that the percentage of observed stream flow values bracketed by the 95PPU in the RBNN model as 91% is higher than the P-factor in SWAT as 87%. In other words the RBNN model estimates the stream flow values more accurately and with less uncertainty. It could be stated that RBNN model based on simple input could be used for estimation of monthly stream flow, missing data, and testing the accuracy and performance of other models.

Keywords: SWAT, RBNN, SUFI 2, bootstrap technique, stream flow, simulation

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Authors: Shryas Bhurat, Aryan Vashistha, Sampreet Dinakar Nayak, Ayush Gupta

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As the technology is advancing more towards high computational resources, there is a paradigm shift in the usage of these resources to optimize the design process. This paper discusses the usage of ‘Generative Design using Artificial Intelligence’ to build better models that adapt the operations like selection, mutation, and crossover to generate results. The human mind thinks of the simplest approach while designing an object, but the intelligence learns from the past & designs the complex optimized CAD Models. Generative Design takes the boundary conditions and comes up with multiple solutions with iterations to come up with a sturdy design with the most optimal parameter that is given, saving huge amounts of time & resources. The new production techniques that are at our disposal allow us to use additive manufacturing, 3D printing, and other innovative manufacturing techniques to save resources and design artistically engineered CAD Models. Also, this paper discusses the Genetic Algorithm, the Non-Domination technique to choose the right results using biomimicry that has evolved for current habitation for millions of years. The computer uses parametric models to generate newer models using an iterative approach & uses cloud computing to store these iterative designs. The later part of the paper compares the topology optimization technology with Generative Design that is previously being used to generate CAD Models. Finally, this paper shows the performance of algorithms and how these algorithms help in designing resource-efficient models.

Keywords: genetic algorithm, bio mimicry, generative modeling, non-dominant techniques

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Authors: A. Naamane, M. Hasnaoui

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Numerical modeling of fluid flows, whether compressible or incompressible, laminar or turbulent presents a considerable contribution in the scientific and industrial fields. However, the development of an approximate model of a supersonic flow requires the introduction of specific and more precise techniques and methods. For this purpose, the object of this paper is modeling a supersonic flow of inviscid fluid around a dihedral airfoil. Based on the thin airfoils theory and the non-dimensional stationary Steichen equation of a two-dimensional supersonic flow in isentropic evolution, we obtained a solution for the downstream velocity potential of the oblique shock at the second order of relative thickness that characterizes a perturbation parameter. This result has been dealt with by the asymptotic analysis and characteristics method. In order to validate our model, the results are discussed in comparison with theoretical and experimental results. Indeed, firstly, the comparison of the results of our model has shown that they are quantitatively acceptable compared to the existing theoretical results. Finally, an experimental study was conducted using the AF300 supersonic wind tunnel. In this experiment, we have considered the incident upstream Mach number over a symmetrical dihedral airfoil wing. The comparison of the different Mach number downstream results of our model with those of the existing theoretical data (relative margin between 0.07% and 4%) and with experimental results (concordance for a deflection angle between 1° and 11°) support the validation of our model with accuracy.

Keywords: asymptotic modelling, dihedral airfoil, supersonic flow, supersonic wind tunnel

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Authors: A. Novikova, L. Rocchi, G. Startiene

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Market and non-market outputs are produced jointly in agriculture. Their supply depends on the intensity and type of production. The role of agriculture as an economic activity and its effects are important for the Lithuanian case study, as agricultural land covers more than a half of country. Positive and negative externalities, created in agriculture are not considered in the market. Therefore, specific techniques such as stated preferences methods, in particular choice experiments (CE) are used for evaluation of non-market outputs in agriculture. The main aim of this paper is to present construction of the research path for evaluation of non-market farming system outputs in Lithuania. The conventional and organic farming, covering crops (including both cereal and industrial crops) and livestock (including dairy and cattle) production has been selected. The CE method and nested logit (NL) model were selected as appropriate for evaluation of non-market outputs of different farming systems in Lithuania. A pilot survey was implemented between October–November 2018, in order to test and improve the CE questionnaire. The results of the survey showed that the questionnaire is accepted and well understood by the respondents. The econometric modelling showed that the selected NL model could be used for the main survey. The understanding of the differences between organic and conventional farming by residents was identified. It was revealed that they are more willing to choose organic farming in comparison to conventional farming.

Keywords: choice experiments, farming system, Lithuania market outputs, non-market outputs

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Authors: Muhammad Asif Rasheed

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Newcastle disease virus (NDV), an avian orthoavulavirus, is a causative agent of Newcastle disease named (NDV) and can cause even the epidemics when the disease is not treated. Previously several vaccines based on attenuated and inactivated viruses have been reported, which are rendered useless with the passage of time due to versatile changes in viral genome. Therefore, we aimed to develop an effective multi-epitope vaccine against the haemagglutinin neuraminidase (HN) protein of 26 NDV strains from Pakistan through a modern immunoinformatic approaches. As a result, a vaccine chimaera was constructed by combining T-cell and B-cell epitopes with the appropriate linkers and adjuvant. The designed vaccine was highly immunogenic, non-allergen, and antigenic; therefore, the potential 3D-structureof multi epitope vaccine was constructed, refined, and validated. A molecular docking study of a multiepitope vaccine candidate with the chicken Toll-like receptor-4 indicated successful binding. An In silico immunological simulation was used to evaluate the candidate vaccine's ability to elicit an effective immune response. According to the computational studies, the proposed multiepitope vaccine is physically stable and may induce immune responses, whichsuggested it a strong candidate against 26 Newcastle disease virus strains from Pakistan. A wet lab study is under process to confirm the results.

Keywords: epitopes, newcastle disease virus, paramyxovirus virus, vaccine

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Authors: Manoj Malviya, Shubham Shinde

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The present study focuses on the determination of torsional stiffness of a space frame chassis and comparison of elements used in the Finite Element Analysis of frame. The study also discusses various concepts and design aspects of a space frame chassis with the emphasis on their applicability in BAJA SAE vehicles. Torsional stiffness is a very important factor that determines the chassis strength, vehicle control, and handling. Therefore, it is very important to determine the torsional stiffness of the vehicle before designing an optimum chassis so that it should not fail during extreme conditions. This study determines the torsional stiffness of frame with respect to suspension shocks, roll-stiffness and anti-roll bar rates. A spring model is developed to study the effects of suspension parameters. The engine greatly contributes to torsional stiffness, and therefore, its effects on torsional stiffness need to be considered. Deflections in the tire have not been considered in the present study. The proper element shape should be selected to analyze the effects of various loadings on chassis while implementing finite element methods. The study compares the accuracy of results and computational time for different element types. Shape functions of these elements are also discussed. Modelling methodology is discussed for the multibody analysis of chassis integrated with suspension arms and engine. Proper boundary conditions are presented so as to replicate the real life conditions.

Keywords: space frame chassis, torsional stiffness, multi-body analysis of chassis, element selection

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Authors: Nana Adjoah Mbroh, Suares Clovis Oukouomi Noutchie

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Singularly perturbed problems are parameter dependent problems, and they play major roles in the modelling of real-life situational problems in applied sciences. Thus, designing efficient numerical schemes to solve these problems is of much interest since the exact solutions of such problems may not even exist. Generally, singularly perturbed problems are identified by a small parameter multiplying at least the highest derivative in the equation. The presence of this parameter causes the solution of these problems to be characterized by rapid oscillations. This unique feature renders classical numerical schemes inefficient since they are unable to capture the behaviour of the exact solution in the part of the domain where the rapid oscillations are present. In this paper, a numerical scheme is proposed to solve a singularly perturbed Volterra Integro-differential equation. The scheme is based on the midpoint rule and employs the non-standard finite difference scheme to solve the differential part whilst the composite trapezoidal rule is used for the integral part. A fully fledged error estimate is performed, and Richardson extrapolation is applied to accelerate the convergence of the scheme. Numerical simulations are conducted to confirm the theoretical findings before and after extrapolation.

Keywords: midpoint rule, non-standard finite difference schemes, Richardson extrapolation, singularly perturbed problems, trapezoidal rule, uniform convergence

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Authors: Hammed Tanimowo Aiyelabegan, Oluchukwu Franklin Aladi, Mutiu Adewumi Alabi, Raliat Abimbola Aladodo, Emmanuel Oladipupo Ajani, Abdulganiyu Giwa, Esther Owolabi

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The study aimed to evaluate the inhibitory activities of ligands from Enantia chlorantha stem bark on α-amylase and α-glucosidase. In silico pharmacokinetic properties and docking scores were employed to analyse the inhibition using SwissADME and Autodock4.2, respectively. Results revealed that drug-likeness, pharmacokinetics and bioavailability radar of all the ligands except jatrorrhizine and acarbose falls within the radar according to the Lipinski rule of 5. The binding energies of the protein-ligand interactions also show that the ligand fits into the active site. The results obtained from this study show that the chemical constituents from Enantia chlorantha stem bark may bring about positive physiological changes in a patient suffering from diabetes mellitus. Further in vitro studies on diabetes cell lines and in vivo studies on the animal may validate these compounds for diabetes treatment. These phytoconstituents could help in the development of novel anti-diabetic molecules.

Keywords: diabetes mellitus, ?-amylase, ?-glucosidase, in silico, Enantia chlorantha stem bark

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Authors: V. C. Igwemezie, A. N. Mehmanparast

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The primary focus of this work is to understand how variations in the microstructure and cyclic waveform affect the corrosion fatigue crack growth (CFCG) in steel, especially in the Paris region of the da/dN vs. ΔK curve. This work is important because it provides fundamental information on the modelling, design, selection, and use of steels for various engineering applications in the marine environment. The corrosion fatigue tests data on normalized and thermomechanical control process (TMCP) ferritic-pearlitic steels by the authors were compared with several studies on different microstructures in the literature. The microstructures of these steels are radically different and general comparative fatigue crack growth resistance performance study on the effect of microstructure in these materials are very scarce and where available are limited to few studies. The results, for purposes of engineering application, in this study show less dependency of fatigue crack growth rate (FCGR) on yield strength, tensile strength, ductility, frequency and stress ratio in the range 0.1 – 0.7. The nature of the steel microstructure appears to be a major factor in determining the rate at which fatigue cracks propagate in the entire da/dN vs. ΔK sigmoidal curve. The study also shows that the sine wave shape is the most damaging fatigue waveform for ferritic-pearlitic steels. This tends to suggest that the test under sine waveform would be a conservative approach, regardless of the waveform for design of engineering structures.

Keywords: BS7910, corrosion-fatigue crack growth rate, cyclic waveform, microstructure, steel

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Authors: Aarti Singh, Anees Ahmad

Abstract:

Carotenoids comprise a group of isoprenoid pigments. Carotenes, xanthophylls and their derivatives have been found to play an important role in all living beings through foods, neutraceuticals and pharmaceuticals. α-carotene, β-carotene and β-cryptoxanthin play a vital role in humans to provide vitamin A source for the growth, development and proper functioning of immune system and vision. They are very crucial for plants and humans as they protect from photooxidative damage and are excellent antioxidants quenching singlet molecular oxygen and peroxyl radicals. Diet including more intake of carotenoids results in reduced threat of various chronic diseases such as cancer (lung, breast, prostrate, colorectal and ovarian cancers) and coronary heart diseases. The blue light filtering efficiency of the carotenoids in liposomes have been reported to be maximum in lutein followed by zeaxanthin, β-carotene and lycopene. Lycopene plays a vital role for the protection from CVD. Lycopene in serum is directly related to reduced risk of osteoporosis in postmenopausal women. Carotenoids have major role in the treatment of skin disorders. There is need to identify and isolate novel carotenoids from diverse natural sources for human health benefits.

Keywords: antioxidants, carotenoids, neutraceuticals, osteoporosis, pharmaceuticals

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Authors: Tio Novita Efriani

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Public sector organizations work in a complex and risky environment. Since the beginning of 2000s, the public sector has paid attention to the need for an effective risk management. The Indonesian public sector has also concerned about this issue and in 2008 it enacted the Government Regulation that gives mandate for the implementation of risk management in government organizations. This paper investigates risk management implementation in the Indonesian public sector organizations and the role of transformational leadership and internal audit activities. Data was collected via survey. A total of 202 effective responses (30% response rate) from employees in 34 government ministries were statistically analyzed by using Partial least square structural equation modelling (PLS-SEM) and the software was SmartPLS 3.0. All the constructs were lower order, except for the risk management implementation construct, which was treated as a second-order construct. A two-stage approach was employed in the analysis of the higher order component. The findings revealed that transformational leadership positively influence risk management implementation. The findings also found that the core and legitimate roles of internal audit in risk management positively affect the implementation of risk management. The final finding showed that internal auditing mediates a relationship between transformational leadership and risk management implementation. These results suggest that the implementation of risk management in the Indonesian public sector was significantly supported by internal auditors and leadership. The findings confirm the importance of transformational leadership and internal audit in the public sector risk management strategies.

Keywords: Indonesian public sector, internal audit, risk management, transformational leadership

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Authors: Shubham Jaiswal

Abstract:

During modelling of many physical problems and engineering processes, fractional calculus plays an important role. Those are greatly described by fractional differential equations (FDEs). So a reliable and efficient technique to solve such types of FDEs is needed. In this article, a numerical solution of a class of fractional differential equations namely space fractional order reaction-advection dispersion equations subject to initial and boundary conditions is derived. In the proposed approach shifted Jacobi polynomials are used to approximate the solutions together with shifted Jacobi operational matrix of fractional order and spectral collocation method. The main advantage of this approach is that it converts such problems in the systems of algebraic equations which are easier to be solved. The proposed approach is effective to solve the linear as well as non-linear FDEs. To show the reliability, validity and high accuracy of proposed approach, the numerical results of some illustrative examples are reported, which are compared with the existing analytical results already reported in the literature. The error analysis for each case exhibited through graphs and tables confirms the exponential convergence rate of the proposed method.

Keywords: space fractional order linear/nonlinear reaction-advection diffusion equation, shifted Jacobi polynomials, operational matrix, collocation method, Caputo derivative

Procedia PDF Downloads 445