Search results for: available potential energy
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 17667

Search results for: available potential energy

12777 Study of The Ballistic Impact at Low Speed on Angle-Ply Fibrous Structures

Authors: Daniel Barros, Carlos Mota, Raul Fangueiro, Pedro Rosa, Gonçalo Domingos, Alfredo Passanha, Norberto Almeida

Abstract:

The main aim of the work was to compare the ballistic performance of developed composites using different types of fiber woven fabrics [0,90] and different layers orientation (Angle-ply). The ballistic laminate composites were developed using E-glass, S-glass and aramid fabrics impregnated with thermosetting epoxy resin and using different layers orientation (0,0)º and (0,15)º. The idea of the study is to compare the ballistic performance of each laminate produced by studying the velocity loss of the fragment fired into the laminate surface. There are present some mechanical properties for laminates produced using the different types of fiber, where tensile, flexural and impact Charpy properties were studied. Overall, the angle-ply laminates produced using orientations of (0,15)º, despite the slight loss of mechanical properties compared to the (0,0)º orientation, presents better ballistic resistance and dissipation of energy, for lower ballistic impact velocities (under 290 m/s-1). After treatment of ballistic impact results, the S-Glass with (0,15)º laminate presents better ballistic perforce compared to the other combinations studied.

Keywords: ballistic impact, angle-ply, ballistic composite, s-glass fiber, aramid fiber, fabric fiber, energy dissipation, mechanical performance

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12776 Microbial Evaluation of Geophagic and Cosmetic Clays from Southern and Western Nigeria: Potential Natural Nanomaterials

Authors: Bisi-Johnson, Mary A., Hamzart A. Oyelade, Kehinde A. Adediran, Saheed A. Akinola

Abstract:

Geophagic and cosmetic clays are among potential nano-material which occur naturally and are of various forms. The use of these nano-clays is a common practice in both rural and urban areas mostly due to tradition and medicinal reasons. These naturally occurring materials can be valuable sources of nano-material by serving as nano-composites. The need to ascertain the safety of these materials is the motivation for this research. Physical Characterization based on the hue value and microbiological qualities of the nano-clays were carried out. The Microbial analysis of the clay samples showed considerable contamination with both bacteria and fungi with fungal contaminants taking the lead. This observation may not be unlikely due to the ability of fungi species to survive harsher growth conditions than bacteria. 'Atike pupa' showed no bacterial growth. The clay with the largest bacterial count was Calabash chalk (Igbanke), while that with the highest fungal count was 'Eko grey'. The most commonly isolated bacteria in this study were Clostridium spp. and Corynebacterium spp. while fungi included Aspergillus spp. These results are an indication of the need to subject these clay materials to treatments such as heating before consumption or topical usage thereby ascertaining their safety.

Keywords: nano-material, clay, microorganism, quality

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12775 Effect of the Magnetite Nanoparticles Concentration on Biogas and Methane Production from Chicken Litter

Authors: Guadalupe Stefanny Aguilar-Moreno, Miguel Angel Aguilar-Mendez, Teodoro Espinosa-Solares

Abstract:

In the agricultural sector, one of the main emitters of greenhouse gases is manure management, which has been increased considerably in recent years. Biogas is an energy source that can be produced from different organic materials through anaerobic digestion (AD); however, production efficiency is still low. Several techniques have been studied to increase its performance, such as co-digestion, the variation of digestion conditions, and nanomaterials used. Therefore, the aim of this investigation was to evaluate the effect of magnetite nanoparticles (NPs) concentration, synthesized by co-precipitation, on the biogas and methane production in AD using chicken litter as a substrate. Synthesis of NPs was performed according to the co-precipitation method, for which a fractional factorial experimental design 25⁻² with two replications was used. The study factors were concentrations (precursors and passivating), time of sonication and dissolution temperatures, and the response variables were size, hydrodynamic diameter (HD) and zeta potential. Subsequently, the treatment that presented the smallest NPs was chosen for their use on AD. The AD was established in serological bottles with a working volume of 250 mL, incubated at 36 ± 1 °C for 80 days. The treatments consisted of the addition of different concentrations of NPs in the microcosms: chicken litter only (control), 20 mg∙L⁻¹ of NPs + chicken litter, 40 mg∙L⁻¹ of NPs + chicken litter and 60 mg∙L⁻¹ of NPs + chicken litter, all by triplicate. Methane and biogas production were evaluated daily. The smallest HD (49.5 nm) and the most stable NPs (21.22 mV) were obtained with the highest passivating concentration and the lower precursors dissolution temperature, which were the only factors that had a significant effect on the HD. In the transmission electron microscopy performed to these NPs, an average size of 4.2 ± 0.73 nm was observed. The highest biogas and methane production was obtained with the treatment that had 20 mg∙L⁻¹ of NPs, being 29.5 and 73.9%, respectively, higher than the control, while the treatment with the highest concentration of NPs was not statistically different from the control. From the above, it can be concluded that the magnetite NPs promote the biogas and methane production in AD; however, high concentrations may cause inhibitory effects among methanogenic microorganisms.

Keywords: agricultural sector, anaerobic digestion, nanotechnology, waste management

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12774 Assessment of the Potential of Fuel-derived Rice Husk Ash as Pozzolanic Material

Authors: Jesha Faye T. Librea, Leslie Joy L. Diaz

Abstract:

Fuel-derived rice husk ash (fRHA) is a waste material from industries employing rice husk as a biomass fuel which, on the downside, causes disposal and environmental problems. To mitigate this, the fRHA was evaluated for use in other applications such as a pozzolanic material for the construction industry. In this study, the assessment of the potential of fRHA as pozzolanic supplementary cementitious material was conducted by determining the chemical and physical properties of fRHA according to ASTM C618, evaluating the fineness of the material according to ASTM C430, and determining its pozzolanic activity using Luxan Method. The material was found to have a high amorphous silica content of around 95.82 % with traces of alkaline and carbon impurities. The retained carbon residue is 7.18 %, which is within the limit of the specifications for natural pozzolans indicated in ASTM C618. The fineness of the fRHA is at 88.88 % retained at a 45-micron sieve, which, however, exceeded the limit of 34 %. This large particle size distribution was found to affect the pozzolanic activity of the fRHA. This was shown in the Luxan test, where the fRHA was identified as non-pozzolan due to its low pozzolanic activity index of 0.262. Thus, further processing must be done to the fRHA to pass the required ASTM fineness, have a higher pozzolanic activity index, and fully qualify as a pozzolanic material.

Keywords: rice husk ash, pozzolanic, fuel-derived ash, supplementary cementitious material

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12773 Endemic Asteraceae from Mauritius Islands as Potential Phytomedicines

Authors: S.Kauroo, J. Govinden Soulange, D. Marie

Abstract:

Psiadia species from the Asteraceae are traditionally used in the folk medicine of Mauritius to treat cutaneous and bronchial infections. The present study aimed at validating the phytomedicinal properties of the selected species from the Asteraceae family, namely Psiadia arguta, Psiadia viscosa, Psiadia lithospermifolia, and Distephanus populifolius. Dried hexane, ethyl acetate, and methanol leaf extracts were studied for their antioxidant properties using the DPPH (1, 1-diphenyl-2-picryl-hydrazyl), FRAP (Ferric Reducing Ability of Plasma), and Deoxyribose assays. Antibacterial activity against human pathogenic bacteria namely Escherichia coli (ATCC 27853), Staphylococcus aureus (ATCC 29213), Enterococcus faecalis (ATCC 29212), Klebsiella pneumonia (ATCC27853), Pseudomonas aeruginosa (ATCC 27853), and Bacillus cereus (ATCC 11778) was measured using the broth microdilution assay. Qualitative phytochemical screening using standard methods revealed the presence of coumarins, tannins, leucoanthocyanins, and steroids in all the tested extracts. The measured phenolics level of the selected plant extracts varied from 24.0 to 231.6 mg GAE/g with the maximum level in methanol extracts in all four species. The highest flavonoids and proanthocyanidins content was noted in Psiadia arguta methanolic extracts with 65.7±1.8 mg QE/g and 5.1±0.0 mg CAT/g dry weight (DW) extract, respectively. The maximum free radical scavenging activity was measured in Psiadia arguta methanol and ethyl acetate extracts with IC50 11.3±0.2 and 11.6± 0.2 µg/mL, respectively and followed by Distephanus populifolius methanol extracts with an IC50 of 11.3± 0.8 µg/mL. The maximum ferric reducing antioxidant potential was noted in Psiadia lithospermifolia methanol extracts with a FRAP value of 18.8 ± 0.4 µmol Fe2+/L/g DW. The antioxidant capacity based on DPPH and Deoxyribose values were negatively related to total phenolics, flavonoid and proanthocyanidins content while the ferric reducing antioxidant potential were strongly correlated to total phenolics, flavonoid and proanthocyanidins content. All four species exhibited antimicrobial activity against the tested bacteria (both Gram-negative and Gram-positive). Interestingly, the hexane and ethyl acetate extracts of Psiadia viscosa and Psiadia lithospermifolia were more active than the control antibiotic Chloramphenicol. The Minimum inhibitory concentration (MIC) values for hexane and ethyl acetate extracts of Psiadia viscosa and Psiadia lithospermifolia against the tested bacteria ranged from (62.5 to 500 µg/ml). These findings validate the use of these tested Asteraceae in the traditional medicine of Mauritius and also highlight their pharmaceutical potential as prospective phytomedicines.

Keywords: antibacterial, antioxidant, DPPH, flavonoids, FRAP, Psiadia spp

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12772 Yoga for Holistic Health Wellbeing

Authors: Pothula Madhusudhan Reddy

Abstract:

Introduction: Yoga is a way of life. of uniting the mind, body and soul. It is also an art of living the right way. The techniques of Yoga are very practical, so they can always be applied. This is the reason why Yoga has been practiced for thousands of years and is still valid today. Importance of Yoga: Yoga that helps to inculcate healthy habits and adopt a healthy lifestyle to achieve good health Research Aim: The aim of this study is to explore the potential benefits of yoga for holistic health and wellbeing, both at an individual and societal level The ultimate goal of human being is to attain the state of perfect freedom from the shackles of ignorance, which is the generator of all the pangs and miseries of life. Methodology: This research follows a thematic and practical experience approach. Yoga includes body postures and movements (stretching), breathing practices, imagery, meditation, and progressive relaxation techniques. Data Collection: The data for this research is collected through a combination of literature review, expert interviews, and practical yoga sessions. The literature review provides a comprehensive understanding of the principles and practices of yoga, while expert interviews offer insights from experienced practitioners. Practical yoga sessions allow for first hand experiences and observations, facilitating a deeper understanding of the subject matter. Analysis Procedures: The collected data is analyzed thematically, where key themes and patterns related to the benefits and effects of yoga on holistic health and wellbeing are identified. The findings are then interpreted and synthesized to draw meaningful conclusions. Questions Addressed: This research addresses the following questions: What are the potential benefits of yoga for holistic health and wellbeing? How does yoga promote rejuvenate the body, mind, and senses? What are the implications of a society embracing yoga for overall societal wellbeing and happiness? Findings: The research highlights that practicing yoga can lead to increased awareness of the body, mind, and senses. It promotes overall physical and mental health, helping individuals achieve a state of happiness and contentment. Moreover, the study emphasizes that a society embracing yoga can contribute to the development of a healthy and happy community. Theoretical Importance: The study of yoga for holistic health and wellbeing holds theoretical importance as it provides insights into the science of yoga and its impact on individuals and society. It contributes to the existing body of knowledge on the subject and further establishes yoga as a potential tool for enhancing overall wellness. Conclusion: The study concludes that yoga is a powerful practice for achieving holistic health and wellbeing. This research provides valuable insights into the science of yoga and its potential as a tool for promoting overall wellness.

Keywords: yoga, asana, pranayama, meditation

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12771 Facility Data Model as Integration and Interoperability Platform

Authors: Nikola Tomasevic, Marko Batic, Sanja Vranes

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Emerging Semantic Web technologies can be seen as the next step in evolution of the intelligent facility management systems. Particularly, this considers increased usage of open source and/or standardized concepts for data classification and semantic interpretation. To deliver such facility management systems, providing the comprehensive integration and interoperability platform in from of the facility data model is a prerequisite. In this paper, one of the possible modelling approaches to provide such integrative facility data model which was based on the ontology modelling concept was presented. Complete ontology development process, starting from the input data acquisition, ontology concepts definition and finally ontology concepts population, was described. At the beginning, the core facility ontology was developed representing the generic facility infrastructure comprised of the common facility concepts relevant from the facility management perspective. To develop the data model of a specific facility infrastructure, first extension and then population of the core facility ontology was performed. For the development of the full-blown facility data models, Malpensa and Fiumicino airports in Italy, two major European air-traffic hubs, were chosen as a test-bed platform. Furthermore, the way how these ontology models supported the integration and interoperability of the overall airport energy management system was analyzed as well.

Keywords: airport ontology, energy management, facility data model, ontology modeling

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12770 Considering International/Local Peacebuilding Partnerships: The Stoplights Analysis System

Authors: Charles Davidson

Abstract:

This paper presents the Stoplight Analysis System of Partnering Organizations Readiness, offering a structured framework to evaluate conflict resolution collaboration feasibility, especially crucial in conflict areas, employing a colour-coded approach and specific assessment points, with implications for more informed decision-making and improved outcomes in peacebuilding initiatives. Derived from at total of 40 years of practical peacebuilding experience from the project’s two researchers as well as interviews of various other peacebuilding actors, this paper introduces the Stoplight Analysis System of Partnering Organizations Readiness, a comprehensive framework designed to facilitate effective collaboration in international/local peacebuilding partnerships by evaluating the readiness of both potential partner organisations and the location of the proposed project. ^The system employs a colour-coded approach, categorising potential partnerships into three distinct indicators: Red (no-go), Yellow (requires further research), and Green (promising, go ahead). Within each category, specific points are identified for assessment, guiding decision-makers in evaluating the feasibility and potential success of collaboration. The Red category signals significant barriers, prompting an immediate stoppage in the consideration of partnership. The Yellow category encourages deeper investigation to determine whether potential issues can be mitigated, while the Green category signifies organisations deemed ready for collaboration. This systematic and structured approach empowers decision-makers to make informed choices, enhancing the likelihood of successful and mutually beneficial partnerships. Methodologically, this paper utilised interviews from peacebuilders from around the globe, scholarly research of extant strategies, and a collaborative review of programming from the project’s two authors from their own time in the field. This method as a formalised model has been employed for the past two years across a litany of partnership considerations, and has been adjusted according to its field experimentation. This research holds significant importance in the field of conflict resolution as it provides a systematic and structured approach to peacebuilding partnership evaluation. In conflict-affected regions, where the dynamics are complex and challenging, the Stoplight Analysis System offers decision-makers a practical tool to assess the readiness of partnering organisations. This approach can enhance the efficiency of conflict resolution efforts by ensuring that resources are directed towards partnerships with a higher likelihood of success, ultimately contributing to more effective and sustainable peacebuilding outcomes.

Keywords: collaboration, conflict resolution, partnerships, peacebuilding

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12769 Exploration of Abuse of Position for Sexual Gain by UK Police

Authors: Terri Cole, Fay Sweeting

Abstract:

Abuse of position for sexual gain by police is defined as behavior involving individuals taking advantage of their role to pursue a sexual or improper relationship. Previous research has considered whether it involves ‘bad apples’ - individuals with poor moral ethos or ‘bad barrels’ – broader organizational flaws which may unconsciously allow, minimize, or do not effectively deal with such behavior. Low level sexual misconduct (e.g., consensual sex on duty) is more common than more serious offences (e.g., rape), yet the impact of such behavior can have severe implications not only for those involved but can also negatively undermine public confidence in the police. This ongoing, collaborative research project has identified variables from 514 historic case files from 35 UK police forces in order to identify potential risk indicators which may lead to such behavior. Quantitative analysis using logistic regression and the Cox proportion hazard model has resulted in the identification of specific risk factors of significance in prediction. Factors relating to both perpetrator background such as a history of intimate partner violence, debt, and substance misuse coupled with in work behavior such as misusing police systems increase the risk. Findings are able to provide pragmatic recommendations for those tasked with identifying potential or investigating suspected perpetrators of misconduct.

Keywords: abuse of position, forensic psychology, misconduct, sexual abuse

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12768 Study of the Influence of Refractory Nitride Additives on Hydrogen Storage Properties of Ti6Al4V-Based Materials Produced by Spark Plasma Sintering

Authors: John Olorunfemi Abe, Olawale Muhammed Popoola, Abimbola Patricia Idowu Popoola

Abstract:

Hydrogen is an appealing alternative to fossil fuels because of its abundance, low weight, high energy density, and relative lack of contaminants. However, its low density presents a number of storage challenges. Therefore, this work studies the influence of refractory nitride additives consisting of 5 wt. % each of hexagonal boron nitride (h-BN), titanium nitride (TiN), and aluminum nitride (AlN) on hydrogen storage and electrochemical characteristics of Ti6Al4V-based materials produced by spark plasma sintering. The microstructure and phase constituents of the sintered materials were characterized using scanning electron microscopy (in conjunction with energy-dispersive spectroscopy) and X-ray diffraction, respectively. Pressure-composition-temperature (PCT) measurements were used to assess the hydrogen absorption/desorption behavior, kinetics, and storage capacities of the sintered materials, respectively. The pure Ti6Al4V alloy displayed a two-phase (α+β) microstructure, while the modified composites exhibited apparent microstructural modifications with the appearance of nitride-rich secondary phases. It is found that the diffusion process controls the kinetics of the hydrogen absorption. Thus, a faster rate of hydrogen absorption at elevated temperatures ensued. The additives acted as catalysts, lowered the activation energy and accelerated the rate of hydrogen sorption in the composites relative to the monolithic alloy. Ti6Al4V-5 wt. % h-BN appears to be the most promising candidate for hydrogen storage (2.28 wt. %), followed by Ti6Al4V-5 wt. % TiN (2.09 wt. %), whereas Ti6Al4V-5 wt. % AlN shows the least hydrogen storage performance (1.35 wt. %). Accordingly, the developed hydride system (Ti6Al4V-5h-BN) may be competitive for use in applications involving short-range continuous vehicles (~50-100km) as well as stationary applications such as electrochemical devices, large-scale storage cylinders in hydrogen production locations, and hydrogen filling stations.

Keywords: hydrogen storage, Ti6Al4V hydride system, pressure-composition-temperature measurements, refractory nitride additives, spark plasma sintering, Ti6Al4V-based materials

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12767 Improving the Corrosion Resistance of Magnesium by Application of TiO₂-MgO Coatings

Authors: Eric Noe Hernandez Rodriguez, Cristian Esneider Penuela Cruz

Abstract:

Magnesium is a biocompatible and biodegradable material that has gained increased interest for application in resorbable orthopedic implants. However, to date, much research is being conducted to overcome the main disadvantage: its low corrosion resistance. In this work, we report our findings on the development and application of TiO₂-MgO coatings to improve and modulate the corrosion resistance of magnesium pieces. The plasma electrolytic oxidation (PEO) technique was employed to obtain the TiO₂-MgO coatings. The effect of the experimental parameters on the modulation of the TiO₂:MgO ratio was investigated. The most critical parameters were the chemical composition of the precursor electrolytic solution and the current density. According to scanning electron microscopy (SEM) observations, the coatings were porous; however, they become more compact as the current density increases. XRD measurements showed that the coatings are formed by a composite consisting of TiO₂ and MgO oxides, whose ratio can be changed by the experimental conditions. TiO₂ had the anatase crystalline structure, while the MgO had the FCC crystalline structure. The corrosion resistance was evaluated through the corrosion current (Icorr) measured at room temperature by the polarization technique (Tafel). For doing it, Hank's solution was used in order to simulate the body fluids. Also, immersion tests were conducted. Tafel curves showed an improvement of the corrosion resistance at some coated magnesium pieces in contrast to control pieces (uncoated). Corrosion currents were lower, and the corrosion potential changed to positive values. It was observed that the experimental parameters allowed to modulate the protective capacity of the coatings by changing the TiO₂:MgO ratio. Coatings with a higher content of TiO₂ (measured by energy dispersive spectroscopy) showed higher corrosion resistance. Results showed that TiO₂-MgO coatings can be successfully applied to improve the corrosion resistance of Mg pieces in simulated body fluid; even more, the corrosion resistance can be tuned by changing the TiO₂:MgO ratio.

Keywords: biomaterials, PEO, corrosion resistance, magnesium

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12766 AI and the Future of Misinformation: Opportunities and Challenges

Authors: Noor Azwa Azreen Binti Abd. Aziz, Muhamad Zaim Bin Mohd Rozi

Abstract:

Moving towards the 4th Industrial Revolution, artificial intelligence (AI) is now more popular than ever. This subject is gaining significance every day and is continually expanding, often merging with other fields. Instead of merely being passive observers, there are benefits to understanding modern technology by delving into its inner workings. However, in a world teeming with digital information, the impact of AI on the spread of disinformation has garnered significant attention. The dissemination of inaccurate or misleading information is referred to as misinformation, posing a serious threat to democratic society, public debate, and individual decision-making. This article delves deep into the connection between AI and the dissemination of false information, exploring its potential, risks, and ethical issues as AI technology advances. The rise of AI has ushered in a new era in the dissemination of misinformation as AI-driven technologies are increasingly responsible for curating, recommending, and amplifying information on online platforms. While AI holds the potential to enhance the detection and mitigation of misinformation through natural language processing and machine learning, it also raises concerns about the amplification and propagation of false information. AI-powered deepfake technology, for instance, can generate hyper-realistic videos and audio recordings, making it increasingly challenging to discern fact from fiction.

Keywords: artificial intelligence, digital information, disinformation, ethical issues, misinformation

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12765 Study on Buckling and Yielding Behaviors of Low Yield Point Steel Plates

Authors: David Boyajian, Tadeh Zirakian

Abstract:

Stability and performance of steel plates are characterized by geometrical buckling and material yielding. In this paper, the geometrical buckling and material yielding behaviors of low yield point (LYP) steel plates are studied from the point of view of their application in steel plate shear wall (SPSW) systems. Use of LYP steel facilitates the design and application of web plates with improved buckling and energy absorption capacities in SPSW systems. LYP steel infill plates may yield first and then undergo inelastic buckling. Hence, accurate determination of the limiting plate thickness corresponding to simultaneous buckling and yielding can be effective in seismic design of such lateral force-resisting and energy dissipating systems. The limiting thicknesses of plates with different loading and support conditions are determined theoretically and verified through detailed numerical simulations. Effects of use of LYP steel and plate aspect ratio parameter on the limiting plate thickness are investigated as well. In addition, detailed studies are performed on determination of the limiting web-plate thickness in code-designed SPSWs. Some practical recommendations are accordingly provided for efficient seismic design of SPSW systems with LYP steel infill plates.

Keywords: buckling, low yield point steel, plates, steel plate shear walls, yielding

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12764 An Entropy Stable Three Dimensional Ideal MHD Solver with Guaranteed Positive Pressure

Authors: Andrew R. Winters, Gregor J. Gassner

Abstract:

A high-order numerical magentohydrodynamics (MHD) solver built upon a non-linear entropy stable numerical flux function that supports eight traveling wave solutions will be described. The method is designed to treat the divergence-free constraint on the magnetic field in a similar fashion to a hyperbolic divergence cleaning technique. The solver is especially well-suited for flows involving strong discontinuities due to its strong stability without the need to enforce artificial low density or energy limits. Furthermore, a new formulation of the numerical algorithm to guarantee positivity of the pressure during the simulation is described and presented. By construction, the solver conserves mass, momentum, and energy and is entropy stable. High spatial order is obtained through the use of a third order limiting technique. High temporal order is achieved by utilizing the family of strong stability preserving (SSP) Runge-Kutta methods. Main attributes of the solver are presented as well as details on an implementation of the new solver into the multi-physics, multi-scale simulation code FLASH. The accuracy, robustness, and computational efficiency is demonstrated with a variety of numerical tests. Comparisons are also made between the new solver and existing methods already present in FLASH framework.

Keywords: entropy stability, finite volume scheme, magnetohydrodynamics, pressure positivity

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12763 Software Tool Design for Heavy Oil Upgrading by Hydrogen Donor Addition in a Hydrodynamic Cavitation Process

Authors: Munoz A. Tatiana, Solano R. Brandon, Montes C. Juan, Cierco G. Javier

Abstract:

The hydrodynamic cavitation is a process in which the energy that the fluids have in the phase changes is used. From this energy, local temperatures greater than 5000 °C are obtained where thermal cracking of the fluid molecules takes place. The process applied to heavy oil affects variables such as viscosity, density, and composition, which constitutes an important improvement in the quality of crude oil. In this study, the need to design a software through mathematical integration models of mixing, cavitation, kinetics, and reactor, allows modeling changes in density, viscosity, and composition of a heavy oil crude, when the fluid passes through a hydrodynamic cavitation reactor. In order to evaluate the viability of this technique in the industry, a heavy oil of 18° API gravity, was simulated using naphtha as a hydrogen donor at concentrations of 1, 2 and 5% vol, where the simulation results showed an API gravity increase to 0.77, 1.21 and 1.93° respectively and a reduction viscosity by 9.9, 12.9 and 15.8%. The obtained results allow to have a favorable panorama on this technological development, an appropriate visualization on the generation of innovative knowledge of this technique and the technical-economic opportunity that benefits the development of the hydrocarbon sector related to heavy crude oil that includes the largest world oil production.

Keywords: hydrodynamic cavitation, thermal cracking, hydrogen donor, heavy oil upgrading, simulator

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12762 The Mechanism of Design and Analysis Modeling of Performance of Variable Speed Wind Turbine and Dynamical Control of Wind Turbine Power

Authors: Mohammadreza Heydariazad

Abstract:

Productivity growth of wind energy as a clean source needed to achieve improved strategy in production and transmission and management of wind resources in order to increase quality of power and reduce costs. New technologies based on power converters that cause changing turbine speed to suit the wind speed blowing turbine improve extraction efficiency power from wind. This article introduces variable speed wind turbines and optimization of power, and presented methods to use superconducting inductor in the composition of power converter and is proposed the dc measurement for the wind farm and especially is considered techniques available to them. In fact, this article reviews mechanisms and function, changes of wind speed turbine according to speed control strategies of various types of wind turbines and examines power possible transmission and ac from producing location to suitable location for a strong connection integrating wind farm generators, without additional cost or equipment. It also covers main objectives of the dynamic control of wind turbines, and the methods of exploitation and the ways of using it that includes the unique process of these components. Effective algorithm is presented for power control in order to extract maximum active power and maintains power factor at the desired value.

Keywords: wind energy, generator, superconducting inductor, wind turbine power

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12761 Study on Hysteresis in Sustainable Two-Layer Circular Tube under a Lateral Compression Load

Authors: Ami Nomura, Ken Imanishi, Yukinori Taniguchi, Etsuko Ueda, Tadahiro Wada, Shinichi Enoki

Abstract:

Recently, there have been a lot of earthquakes in Japan. It is necessary to promote seismic isolation devices for buildings. The devices have been hardly diffused in attached houses, because the devices are very expensive. We should develop a low-cost seismic isolation device for detached houses. We suggested a new seismic isolation device which uses a two-layer circular tube as a unit. If hysteresis is produced in the two-layer circular tube under lateral compression load, we think that the two-layer circular tube can have energy absorbing capacity. It is necessary to contact the outer layer and the inner layer to produce hysteresis. We have previously reported how the inner layer comes in contact with the outer layer from a perspective of analysis used mechanics of materials. We have clarified that the inner layer comes in contact with the outer layer under a lateral compression load. In this paper, we explored contact area between the outer layer and the inner layer under a lateral compression load by using FEA. We think that changing the inner layer’s thickness is effective in increase the contact area. In order to change the inner layer’s thickness, we changed the shape of the inner layer. As a result, the contact area changes depending on the inner layer’s thickness. Additionally, we experimented to check whether hysteresis occurs in fact. As a consequence, we can reveal hysteresis in the two-layer circular tube under the condition.

Keywords: contact area, energy absorbing capacity, hysteresis, seismic isolation device

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12760 Leaching Properties of Phosphate Rocks in the Nile River

Authors: Abdelkader T. Ahmed

Abstract:

Phosphate Rocks (PR) are natural sediment rocks. These rocks contain several chemical compositions of heavy metals and radioactive elements. Mining and transportation these rocks beside or through the natural water streams may lead to water contamination. When PR is in contact with water in the field, as a consequence of precipitation events, changes in water table or sinking in water streams, elements such as salts and heavy metals, may be released to the water. In this work, the leaching properties of PR in Nile River water was investigated by experimental lab work. The study focused on evaluating potential environmental impacts of some constituents, including phosphors, cadmium, curium and lead of PR on the water quality of Nile by applying tank leaching tests. In these tests the potential impact of changing conditions, such as phosphate content in PR, liquid to solid ratio (L/S) and pH value, was studied on the long-term release of heavy metals and salts. Experimental results showed that cadmium and lead were released in very low concentrations but curium and phosphors were in high concentrations. Results showed also that the release rate from PR for all constituents was low even in long periods.

Keywords: leaching tests, Nile river, phosphate rocks, water quality

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12759 The Medical Student Perspective on the Role of Doubt in Medical Education

Authors: Madhavi-Priya Singh, Liam Lowe, Farouk Arnaout, Ludmilla Pillay, Giordan Perez, Luke Mischker, Steve Costa

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Introduction: An Emergency Department consultant identified the failure of medical students to complete the task of clerking a patient in its entirety. As six medical students on our first clinical placement, we recognised our own failure and endeavored to examine why this failure was consistent among all medical students that had been given this task, despite our best motivations as adult learners. Aim: Our aim is to understand and investigate the elements which impeded our ability to learn and perform as medical students in the clinical environment, with reference to the prescribed task. We also aim to generate a discussion around the delivery of medical education with potential solutions to these barriers. Methods: Six medical students gathered together to have a comprehensive reflective discussion to identify possible factors leading to the failure of the task. First, we thoroughly analysed the delivery of the instructions with reference to the literature to identify potential flaws. We then examined personal, social, ethical, and cultural factors which may have impacted our ability to complete the task in its entirety. Results: Through collation of our shared experiences, with support from discussion in the field of medical education and ethics, we identified two major areas that impacted our ability to complete the set task. First, we experienced an ethical conflict where we believed the inconvenience and potential harm inflicted on patients did not justify the positive impact the patient interaction would have on our medical learning. Second, we identified a lack of confidence stemming from multiple factors, including the conflict between preclinical and clinical learning, perceptions of perfectionism in the culture of medicine, and the influence of upward social comparison. Discussion: After discussions, we found that the various factors we identified exacerbated the fears and doubts we already had about our own abilities and that of the medical education system. This doubt led us to avoid completing certain aspects of the tasks that were prescribed and further reinforced our vulnerability and perceived incompetence. Exploration of philosophical theories identified the importance of the role of doubt in education. We propose the need for further discussion around incorporating both pedagogic and andragogic teaching styles in clinical medical education and the acceptance of doubt as a driver of our learning. Conclusion: Doubt will continue to permeate our thoughts and actions no matter what. The moral or psychological distress that arises from this is the key motivating factor for our avoidance of tasks. If we accept this doubt and education embraces this doubt, it will no longer linger in the shadows as a negative and restrictive emotion but fuel a brighter dialogue and positive learning experience, ultimately assisting us in achieving our full potential.

Keywords: ethics, medical student, doubt, medical education, faith

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12758 Behavior of Oil Palm Shell Reinforced Concrete Beams Added with Kenaf Fibres

Authors: Sharifah M. Syed Mohsin, Sayid J. Azimi, Abdoullah Namdar

Abstract:

The present article reports the findings of a study into the behavior of oil palm shell reinforced concrete (OPSRC) beams with the addition of kenaf fibres. The work aim is to examine the potential of using kenaf fibres to improve the strength and ductility of the OPSRC beams and also observe its potential in serving as part of shear reinforcement in the beams. Two different arrangements of the shear links in OPSRC beams with a selection of kenaf fibres (amount of [10kg/m] ^3 and [20kg/m] ^3) content are tested under monotonic loading. In the first arrangement, the kenaf fibres are added to the beam which has full shear reinforcement to study the structural behavior of OPSRC beams with fibres. In the second arrangement, the spacing between the shear links in the OPSRC beams are increased by 50% and experimental work is carried out to study the effect of kenaf fibres without compromising the beams strength and ductility. The results show that the addition of kenaf fibres enhanced the load carrying capacity, ductility and also altered the failure mode of the beams from a brittle shear mode to a flexural ductile one. Furthermore, the study depicts that kenaf fibres are compatible with OPSRC and suggest prospective results.

Keywords: oil palm shell reinforced concrete, kenaf fibres, peak strength, ductility

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12757 Calpains; Insights Into the Pathogenesis of Heart Failure

Authors: Mohammadjavad Sotoudeheian

Abstract:

Heart failure (HF) prevalence, as a global cardiovascular problem, is increasing gradually. A variety of molecular mechanisms contribute to HF. Proteins involved in cardiac contractility regulation, such as ion channels and calcium handling proteins, are altered. Additionally, epigenetic modifications and gene expression can lead to altered cardiac function. Moreover, inflammation and oxidative stress contribute to HF. The progression of HF can be attributed to mitochondrial dysfunction that impairs energy production and increases apoptosis. Molecular mechanisms such as these contribute to the development of cardiomyocyte defects and HF and can be therapeutically targeted. The heart's contractile function is controlled by cardiomyocytes. Calpain, and its related molecules, including Bax, VEGF, and AMPK, are among the proteins involved in regulating cardiomyocyte function. Apoptosis is facilitated by Bax. Cardiomyocyte apoptosis is regulated by this protein. Furthermore, cardiomyocyte survival, contractility, wound healing, and proliferation are all regulated by VEGF, which is produced by cardiomyocytes during inflammation and cytokine stress. Cardiomyocyte proliferation and survival are also influenced by AMPK, an enzyme that plays an active role in energy metabolism. They all play key roles in apoptosis, angiogenesis, hypertrophy, and metabolism during myocardial inflammation. The role of calpains has been linked to several molecular pathways. The calpain pathway plays an important role in signal transduction and apoptosis, as well as autophagy, endocytosis, and exocytosis. Cell death and survival are regulated by these calcium-dependent cysteine proteases that cleave proteins. As a result, protein fragments can be used for various cellular functions. By cleaving adhesion and motility proteins, calcium proteins also contribute to cell migration. HF may be brought about by calpain-mediated pathways. Many physiological processes are mediated by the calpain molecular pathways. Signal transduction, cell death, and cell migration are all regulated by these molecular pathways. Calpain is activated by calcium binding to calmodulin. In the presence of calcium, calmodulin activates calpain. Calpains are stimulated by calcium, which increases matrix metalloproteinases (MMPs). In order to develop novel treatments for these diseases, we must understand how this pathway works. A variety of myocardial remodeling processes involve calpains, including remodeling of the extracellular matrix and hypertrophy of cardiomyocytes. Calpains also play a role in maintaining cardiac homeostasis through apoptosis and autophagy. The development of HF may be in part due to calpain-mediated pathways promoting cardiomyocyte death. Numerous studies have suggested the importance of the Ca2+ -dependent protease calpain in cardiac physiology and pathology. Therefore, it is important to consider this pathway to develop and test therapeutic options in humans that targets calpain in HF. Apoptosis, autophagy, endocytosis, exocytosis, signal transduction, and disease progression all involve calpain molecular pathways. Therefore, it is conceivable that calpain inhibitors might have therapeutic potential as they have been investigated in preclinical models of several conditions in which the enzyme has been implicated that might be treated with them. Ca 2+ - dependent proteases and calpains contribute to adverse ventricular remodeling and HF in multiple experimental models. In this manuscript, we will discuss the calpain molecular pathway's important roles in HF development.

Keywords: calpain, heart failure, autophagy, apoptosis, cardiomyocyte

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12756 Using Serious Games to Integrate the Potential of Mass Customization into the Fuzzy Front-End of New Product Development

Authors: Michael N. O'Sullivan, Con Sheahan

Abstract:

Mass customization is the idea of offering custom products or services to satisfy the needs of each individual customer while maintaining the efficiency of mass production. Technologies like 3D printing and artificial intelligence have many start-ups hoping to capitalize on this dream of creating personalized products at an affordable price, and well established companies scrambling to innovate and maintain their market share. However, the majority of them are failing as they struggle to understand one key question – where does customization make sense? Customization and personalization only make sense where the value of the perceived benefit outweighs the cost to implement it. In other words, will people pay for it? Looking at the Kano Model makes it clear that it depends on the product. In products where customization is an inherent need, like prosthetics, mass customization technologies can be highly beneficial. However, for products that already sell as a standard, like headphones, offering customization is likely only an added bonus, and so the product development team must figure out if the customers’ perception of the added value of this feature will outweigh its premium price tag. This can be done through the use of a ‘serious game,’ whereby potential customers are given a limited budget to collaboratively buy and bid on potential features of the product before it is developed. If the group choose to buy customization over other features, then the product development team should implement it into their design. If not, the team should prioritize the features on which the customers have spent their budget. The level of customization purchased can also be translated to an appropriate production method, for example, the most expensive type of customization would likely be free-form design and could be achieved through digital fabrication, while a lower level could be achieved through short batch production. Twenty-five teams of final year students from design, engineering, construction and technology tested this methodology when bringing a product from concept through to production specification, and found that it allowed them to confidently decide what level of customization, if any, would be worth offering for their product, and what would be the best method of producing it. They also found that the discussion and negotiations between players during the game led to invaluable insights, and often decided to play a second game where they offered customers the option to buy the various customization ideas that had been discussed during the first game.

Keywords: Kano model, mass customization, new product development, serious game

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12755 Forecasting Future Society to Explore Promising Security Technologies

Authors: Jeonghwan Jeon, Mintak Han, Youngjun Kim

Abstract:

Due to the rapid development of information and communication technology (ICT), a substantial transformation is currently happening in the society. As the range of intelligent technologies and services is continuously expanding, ‘things’ are becoming capable of communicating one another and even with people. However, such “Internet of Things” has the technical weakness so that a great amount of such information transferred in real-time may be widely exposed to the threat of security. User’s personal data are a typical example which is faced with a serious security threat. The threats of security will be diversified and arose more frequently because next generation of unfamiliar technology develops. Moreover, as the society is becoming increasingly complex, security vulnerability will be increased as well. In the existing literature, a considerable number of private and public reports that forecast future society have been published as a precedent step of the selection of future technology and the establishment of strategies for competitiveness. Although there are previous studies that forecast security technology, they have focused only on technical issues and overlooked the interrelationships between security technology and social factors are. Therefore, investigations of security threats in the future and security technology that is able to protect people from various threats are required. In response, this study aims to derive potential security threats associated with the development of technology and to explore the security technology that can protect against them. To do this, first of all, private and public reports that forecast future and online documents from technology-related communities are collected. By analyzing the data, future issues are extracted and categorized in terms of STEEP (Society, Technology, Economy, Environment, and Politics), as well as security. Second, the components of potential security threats are developed based on classified future issues. Then, points that the security threats may occur –for example, mobile payment system based on a finger scan technology– are identified. Lastly, alternatives that prevent potential security threats are proposed by matching security threats with points and investigating related security technologies from patent data. Proposed approach can identify the ICT-related latent security menaces and provide the guidelines in the ‘problem – alternative’ form by linking the threat point with security technologies.

Keywords: future society, information and communication technology, security technology, technology forecasting

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12754 L. rhamnosus GG Lysate Can Inhibit Cytotoxic Effects of S. aureus on Keratinocytes in vitro

Authors: W. Mohammed Saeed, A. J. Mcbain, S. M. Cruickshank, C. A. O’Neill

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In the gut, probiotics have been shown to protect epithelial cells from pathogenic bacteria through a number of mechanisms: 1-Increasing epithelial barrier function, 2-Modulation of the immune response especially innate immune response, 3-Inhibition of pathogen adherence and down regulation of virulence factors. Since probiotics have positive impacts on the gut, their potential effects on other body tissues, such as skin have begun to be investigated. The purpose of this project is to characterize the potential of probiotic bacteria lysate as therapeutic agent for preventing or reducing the S. aureus infection. Normal human primary keratinocytes (KCs) were exposed to S. aureus (106/ml) in the presence or absence of L. rhamnosus GG lysate (extracted from 108cfu/ml). The viability of the KCs was measured after 24 hours using a trypan blue exclusion assay. When KCs were treated with S aureus alone, only 25% of the KCs remained viable at 24 hours post infection. However, in the presence of L. rhamnosus GG lysate the viability of pathogen infected KCs increased to 58% (p=0.008, n=3). Furthermore, when KCs co-exposed, pre- exposed or post-exposed to L. rhamnosus GG lysate, the viability of the KCs increased to ≈60%, the L. rhamnosus GG lysate was afforded equal protection in different conditions. These data suggests that two possible separate mechanisms are involved in the protective effects of L. rhamnosus GG such as reducing S. aureus growth, or inhibiting of pathogenic adhesion. Interestingly, a lysate of L rhamnosus GG provided significant reduction in S. aureus growth and adhesion of S. aureus that being viable following 24 hours incubation with S aureus. Therefore, a series of Liquid Chromatography (RP-LC) methods were adopted to partially purify the lysate in combination with functional assays to elucidate in which fractions the efficacious molecules were contained. In addition, the Mass Spectrometry-based protein sequencing was used to identify putative proteins in the fractions. The data presented from purification process demonstrated that L. rhamnosus GG lysate has the potential to protect keratinocytes from the toxic effects of the skin pathogen, S. aureus. Three potential mechanisms were identified: inhibition of pathogen growth; competitive exclusion; and displacement of the pathogen from keratinocyte binding sites. In this study, ‘moonlight’ proteins were identified in the current study’s MS/MS data for L. rhamnosus GG lysate, which could elucidate the ability of lysate in the competitive exclusion and displacement of S. aureus from keratinocyte binding sites. Taken together, it can be speculated that L. rhamnosus GG lysate utilizes different mechanisms to protect keratinocytes from S. aureus toxicity. The present study indicates that the proteinaceous substances are involved in anti-adhesion activity. This is achieved by displacing the pathogen and preventing the severity of pathogen infection and the moonlight proteins might be involved in inhibiting the adhesion of pathogens.

Keywords: lysate, fractions, adhesion, L. rhamnosus GG, S. aureus toxicity

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12753 Seismic Performance Evaluation of Structures with Hybrid Dampers Based on FEMA P-58 Methodology

Authors: Minsung Kim, Hyunkoo Kang, Jinkoo Kim

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In this study, a hybrid energy dissipation device is developed by combining a steel slit plate and friction pads to be used for seismic retrofit of structures, and its effectiveness is investigated by comparing the life cycle costs of the structure before and after the retrofit. The seismic energy dissipation capability of the dampers is confirmed by cyclic loading tests. The probabilities of reaching various damage states are obtained by fragility analysis, and the life cycle costs of the model structures are computed using the PACT (Performance Assessment Calculation Tool) program based on FEMA P-58 methodology. The fragility analysis shows that the probabilities of reaching limit states are minimized by the seismic retrofit with hybrid dampers and increasing column size. The seismic retrofit with increasing column size and hybrid dampers results in the lowest repair cost and shortest repair time. This research was supported by a grant (13AUDP-B066083-01) from Architecture & Urban Development Research Program funded by Ministry of Land, Infrastructure and Transport of Korean government.

Keywords: FEMA P-58, friction dampers, life cycle cost, seismic retrofit

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12752 The Effectiveness of Cathodic Protection on Microbiologically Influenced Corrosion Control

Authors: S. Taghavi Kalajahi, A. Koerdt, T. Lund Skovhus

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Cathodic protection (CP) is an electrochemical method to control and manage corrosion in different industries and environments. CP which is widely used, especially in buried and sub-merged environments, which both environments are susceptible to microbiologically influenced corrosion (MIC). Most of the standards recommend performing CP using -800 mV, however, if MIC threats are high or sulfate reducing bacteria (SRB) is present, the recommendation is to use more negative potentials for adequate protection of the metal. Due to the lack of knowledge and research on the effectiveness of CP on MIC, to the author’s best knowledge, there is no information about what MIC threat is and how much more negative potentials should be used enabling adequate protection and not overprotection (due to hydrogen embrittlement risk). Recently, the development and cheaper price of molecular microbial methods (MMMs) open the door for more effective investigations on the corrosion in the presence of microorganisms, along with other electrochemical methods and surface analysis. In this work, using MMMs, the gene expression of SRB biofilm under different potentials of CP will be investigated. The specific genes, such as pH buffering, metal oxidizing, etc., will be compared at different potentials, enabling to determine the precise potential that protect the metal effectively from SRB. This work is the initial step to be able to standardize the recommended potential under MIC condition, resulting better protection for the infrastructures.

Keywords: cathodic protection, microbiologically influenced corrosion, molecular microbial methods, sulfate reducing bacteria

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12751 Experimental and Semi-Analytical Investigation of Wave Interaction with Double Vertical Slotted Walls

Authors: H. Ahmed, A. Schlenkhoff, R. Rousta, R. Abdelaziz

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Vertical slotted walls can be used as permeable breakwaters to provide economical and environmental protection from undesirable waves and currents inside the port. The permeable breakwaters are partially protection and have been suggested to overcome the environmental disadvantages of fully protection breakwaters. For regular waves a semi-analytical model is based on an eigenfunction expansion method and utilizes a boundary condition at the surface of each wall are developed to detect the energy dissipation through the slots. Extensive laboratory tests are carried out to validate the semi-analytic models. The structure of the physical model contains two walls and it consists of impermeable upper and lower part, where the draft is based a decimal multiple of the total depth. The middle part is permeable with a porosity of 50%. The second barrier is located at a distant of 0.5, 1, 1.5 and 2 times of the water depth from the first one. A comparison of the theoretical results with previous studies and experimental measurements of the present study show a good agreement and that, the semi-analytical model is able to adequately reproduce most the important features of the experiment.

Keywords: permeable breakwater, double vertical slotted walls, semi-analytical model, transmission coefficient, reflection coefficient, energy dissipation coefficient

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12750 Kinetics and Toxicological Effects of Kickxia elatine Extract-Based Silver Nanoparticles on Rat Brain Acetylcholinesterase

Authors: Noor Ul Huda, Mushtaq Ahmed, Nadia Mushtaq, Naila Sher, Rahmat Ali Khan

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Purpose: The green synthesis of AgNPs has been favored over chemical synthesis due to their distinctive properties such as high dispersion, surface-to-volume ratio, low toxicity, and easy preparation. In the present work, the biosynthesis of AgNPs (KE-AgNPs) was carried out in one step by using the traditionally used plant Kickxia elatine (KE) extract and then investigated its enzyme inhibiting activity against rat’s brain acetylcholinesterase (AChE) in vitro. Methods: KE-AgNPs were synthesized from 1mM AgNO₃ using KE extract and characterized by UV–spectroscopy, SEM, EDX, XRD, and FTIR analysis. Rat’s brain acetylcholinesterase (AChE) inhibition activity was evaluated by the standard protocol. Results: UV–spectrum at 416 nm confirmed the formation of KE-AgNPs. X-ray diffraction (XRD) pattern presented 2θ values corresponding to the crystalline nature of KE-AgNPs with an average size of 42.47nm. The scanning electron microscope (SEM) analysis confirmed the presence of spherical-shaped and huge density KE-AgNPs with a size of 50nm. Fourier transform infrared spectroscopy (FT-IR) suggested that the functional groups present in KE extract and on the surface of KE-AgNPs are responsible for the stability of biosynthesized NPs. Energy dispersive X-ray (EDX) displayed an intense sharp peak at 3.2 keV, presenting that Ag was the chief element with 61.67%. Both KE extract and KE-AgNPs showed good and potent anti-AChE activity, with higher inhibition potential at a concentration of 175 µg/ml. Statistical analysis showed that both KEE and AgNPs exhibited non-competitive type inhibition against AChE, i.e., Vmax decreased (34.17-68.64% and 22.29- 62.10%) in the concentration-dependent mode for KEE and KE-AgNPs respectively and while Km values remained constant. Conclusions: KEE and KE-AgNPs can be considered an inhibitor of rats’ brain AChE, and the synthesis of KE-AgNPs-based drugs can be used as a cheaper and alternative option against diseases such as Alzheimer’s disease.

Keywords: Kickxia elatine, AgNPs, brain homogenate, acetylcholinesterase, kinetics

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12749 Information Theoretic Approach for Beamforming in Wireless Communications

Authors: Syed Khurram Mahmud, Athar Naveed, Shoaib Arif

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Beamforming is a signal processing technique extensively utilized in wireless communications and radars for desired signal intensification and interference signal minimization through spatial selectivity. In this paper, we present a method for calculation of optimal weight vectors for smart antenna array, to achieve a directive pattern during transmission and selective reception in interference prone environment. In proposed scheme, Mutual Information (MI) extrema are evaluated through an energy constrained objective function, which is based on a-priori information of interference source and desired array factor. Signal to Interference plus Noise Ratio (SINR) performance is evaluated for both transmission and reception. In our scheme, MI is presented as an index to identify trade-off between information gain, SINR, illumination time and spatial selectivity in an energy constrained optimization problem. The employed method yields lesser computational complexity, which is presented through comparative analysis with conventional methods in vogue. MI based beamforming offers enhancement of signal integrity in degraded environment while reducing computational intricacy and correlating key performance indicators.

Keywords: beamforming, interference, mutual information, wireless communications

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12748 A Study on ZnO Nanoparticles Properties: An Integration of Rietveld Method and First-Principles Calculation

Authors: Kausar Harun, Ahmad Azmin Mohamad

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Zinc oxide (ZnO) has been extensively used in optoelectronic devices, with recent interest as photoanode material in dye-sensitize solar cell. Numerous methods employed to experimentally synthesized ZnO, while some are theoretically-modeled. Both approaches provide information on ZnO properties, but theoretical calculation proved to be more accurate and timely effective. Thus, integration between these two methods is essential to intimately resemble the properties of synthesized ZnO. In this study, experimentally-grown ZnO nanoparticles were prepared by sol-gel storage method with zinc acetate dihydrate and methanol as precursor and solvent. A 1 M sodium hydroxide (NaOH) solution was used as stabilizer. The optimum time to produce ZnO nanoparticles were recorded as 12 hours. Phase and structural analysis showed that single phase ZnO produced with wurtzite hexagonal structure. Further work on quantitative analysis was done via Rietveld-refinement method to obtain structural and crystallite parameter such as lattice dimensions, space group, and atomic coordination. The lattice dimensions were a=b=3.2498Å and c=5.2068Å which were later used as main input in first-principles calculations. By applying density-functional theory (DFT) embedded in CASTEP computer code, the structure of synthesized ZnO was built and optimized using several exchange-correlation functionals. The generalized-gradient approximation functional with Perdew-Burke-Ernzerhof and Hubbard U corrections (GGA-PBE+U) showed the structure with lowest energy and lattice deviations. In this study, emphasize also given to the modification of valence electron energy level to overcome the underestimation in DFT calculation. Both Zn and O valance energy were fixed at Ud=8.3 eV and Up=7.3 eV, respectively. Hence, the following electronic and optical properties of synthesized ZnO were calculated based on GGA-PBE+U functional within ultrasoft-pseudopotential method. In conclusion, the incorporation of Rietveld analysis into first-principles calculation was valid as the resulting properties were comparable with those reported in literature. The time taken to evaluate certain properties via physical testing was then eliminated as the simulation could be done through computational method.

Keywords: density functional theory, first-principles, Rietveld-refinement, ZnO nanoparticles

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