Search results for: composites with short glass fibres
Commenced in January 2007
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Edition: International
Paper Count: 4787

Search results for: composites with short glass fibres

1337 A Comprehensive Characterization of Cell-free RNA in Spent Blastocyst Medium and Quality Prediction for Blastocyst

Authors: Huajuan Shi

Abstract:

Background: The biopsy of the preimplantation embryo may increase the potential risk and concern of embryo viability. Clinically discarded spent embryo medium (SEM) has entered the view of researchers, sparking an interest in noninvasive embryo screening. However, one of the major restrictions is the extremelty low quantity of cf-RNA, which is difficult to efficiently and unbiased amplify cf-RNA using traditional methods. Hence, there is urgently need to an efficient and low bias amplification method which can comprehensively and accurately obtain cf-RNA information to truly reveal the state of SEM cf-RNA. Result: In this present study, we established an agarose PCR amplification system, and has significantly improved the amplification sensitivity and efficiency by ~90 fold and 9.29 %, respectively. We applied agarose to sequencing library preparation (named AG-seq) to quantify and characterize cf-RNA in SEM. The number of detected cf-RNAs (3533 vs 598) and coverage of 3' end were significantly increased, and the noise of low abundance gene detection was reduced. The increasing percentage 5' end adenine and alternative splicing (AS) events of short fragments (< 400 bp) were discovered by AG-seq. Further, the profiles and characterizations of cf-RNA in spent cleavage medium (SCM) and spent blastocyst medium (SBM) indicated that 4‐mer end motifs of cf-RNA fragments could remarkably differentiate different embryo development stages. Significance: This study established an efficient and low-cost SEM amplification and library preparation method. Not only that, we successfully described the characterizations of SEM cf-RNA of preimplantation embryo by using AG-seq, including abundance features fragment lengths. AG-seq facilitates the study of cf-RNA as a noninvasive embryo screening biomarker and opens up potential clinical utilities of trace samples.

Keywords: cell-free RNA, agarose, spent embryo medium, RNA sequencing, non-invasive detection

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1336 The Impact of Regulatory Changes on the Development of Mobile Medical Apps

Authors: M. McHugh, D. Lillis

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Mobile applications are being used to perform a wide variety of tasks in day-to-day life, ranging from checking email to controlling your home heating. Application developers have recognized the potential to transform a smart device into a medical device, by using a mobile medical application i.e. a mobile phone or a tablet. When initially conceived these mobile medical applications performed basic functions e.g. BMI calculator, accessing reference material etc.; however, increasing complexity offers clinicians and patients a range of functionality. As this complexity and functionality increases, so too does the potential risk associated with using such an application. Examples include any applications that provide the ability to inflate and deflate blood pressure cuffs, as well as applications that use patient-specific parameters and calculate dosage or create a dosage plan for radiation therapy. If an unapproved mobile medical application is marketed by a medical device organization, then they face significant penalties such as receiving an FDA warning letter to cease the prohibited activity, fines and possibility of facing a criminal conviction. Regulatory bodies have finalized guidance intended for mobile application developers to establish if their applications are subject to regulatory scrutiny. However, regulatory controls appear contradictory with the approaches taken by mobile application developers who generally work with short development cycles and very little documentation and as such, there is the potential to stifle further improvements due to these regulations. The research presented as part of this paper details how by adopting development techniques, such as agile software development, mobile medical application developers can meet regulatory requirements whilst still fostering innovation.

Keywords: agile, applications, FDA, medical, mobile, regulations, software engineering, standards

Procedia PDF Downloads 345
1335 Challenges of Solid Waste Management: Insights into the Management and Disposal Behaviour in Bauchi Metropolis of Northeast Nigeria

Authors: Salisu Abdullahi Dalhat, Ibrahim Aliyu Adamu, Abubakar Magaji, Ridwan Adebola Adedigba

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The paper examined the municipal solid waste disposal methods and the environmental issues associated with the management of solid waste in Bauchi Metropolis, Nigeria. Data were obtained through the administration of structured questionnaires, oral interviews, and field observations, as well as the desk review method. The research identifies how the city was composed of both biodegradable and non-biodegradable materials, which are mostly paper waste, polythene, and plastic materials. Most of the solid wastes are left unattended for a long period. Poor design of dump sites, ineffective management of urban development plans, and poor enforcement of environmental laws were observed to be the major causes of poor waste management, and in a few areas where large waste containers are provided, they are hardly used by the community. The major environmental issues resulting from improper disposal and poor management of solid waste in the Bauchi metropolis are a nuisance of the waste to the environment, emitting of methane gas which contributes to climate change, blockage of drainages during rainstorms causing flooding within the metropolis as well as the decomposition of such waste leading to contamination of groundwater thereby leading to the cholera outbreak. Relevant stakeholders should, without compromise, design enforceable short, workable bye-laws; local supervisors should be stationed at the designated dump sites across the city as well as public enlightenment/sensitization campaigns could be the way out.

Keywords: biodegradable, contamination, cholera outbreak, solid waste, solid waste management, urban development

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1334 Government Final Consumption Expenditure Financial Deepening and Household Consumption Expenditure NPISHs in Nigeria

Authors: Usman A. Usman

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Undeniably, unlike the Classical side, the Keynesian perspective of the aggregate demand side indeed has a significant position in the policy, growth, and welfare of Nigeria due to government involvement and ineffective demand of the population living with poor per capita income. This study seeks to investigate the effect of Government Final Consumption Expenditure, Financial Deepening on Households, and NPISHs Final consumption expenditure using data on Nigeria from 1981 to 2019. This study employed the ADF stationarity test, Johansen Cointegration test, and Vector Error Correction Model. The results of the study revealed that the coefficient of Government final consumption expenditure has a positive effect on household consumption expenditure in the long run. There is a long-run and short-run relationship between gross fixed capital formation and household consumption expenditure. The coefficients cpsgdp financial deepening and gross fixed capital formation posit a negative impact on household final consumption expenditure. The coefficients money supply lm2gdp, which is another proxy for financial deepening, and the coefficient FDI have a positive effect on household final consumption expenditure in the long run. Therefore, this study recommends that Gross fixed capital formation stimulates household consumption expenditure; a legal framework to support investment is a panacea to increasing hoodmold income and consumption and reducing poverty in Nigeria. Therefore, this should be a key central component of policy.

Keywords: household, government expenditures, vector error correction model, johansen test

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1333 Analysis on Solar Panel Performance and PV-Inverter Configuration for Tropical Region

Authors: Eko Adhi Setiawan, Duli Asih Siregar, Aiman Setiawan

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Solar energy is abundant in nature, particularly in the tropics which have peak sun hour that can reach 8 hours per day. In the fabrication process, Photovoltaic’s (PV) performance are tested in standard test conditions (STC). It specifies a module temperature of 25°C, an irradiance of 1000 W/ m² with an air mass 1.5 (AM1.5) spectrum and zero wind speed. Thus, the results of the performance testing of PV at STC conditions cannot fully represent the performance of PV in the tropics. For example Indonesia, which has a temperature of 20-40°C. In this paper, the effect of temperature on the choice of the 5 kW AC inverter topology on the PV system such as the Central Inverter, String Inverter and AC-Module specifically for the tropics will be discussed. The proper inverter topology can be determined by analysis of the effect of temperature and irradiation on the PV panel. The effect of temperature and irradiation will be represented in the characteristics of I-V and P-V curves. PV’s characteristics on high temperature would be analyzed using Solar panel modeling through MATLAB Simulink based on mathematical equations that form Solar panel’s characteristic curve. Based on PV simulation, it is known then that temperature coefficients of short circuit current (ISC), open circuit voltage (VOC), and maximum output power (PMAX) consecutively as high as 0.56%/oC, -0.31%/oC and -0.4%/oC. Those coefficients can be used to calculate PV’s electrical parameters such as ISC, VOC, and PMAX in certain earth’s surface’s certain point. Then, from the parameters, the utility of the 5 kW AC inverter system can be determined. As the result, for tropical area, string inverter topology has the highest utility rates with 98, 80 %. On the other hand, central inverter and AC-Module Topology has utility rates of 92.69 % and 87.7 % eventually.

Keywords: Photovoltaic, PV-Inverter Configuration, PV Modeling, Solar Panel Characteristics.

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1332 The Role of Micro-Ribonucleic Acid-182 and Micro-Ribonucleic Acid-214 in Cisplatin Resistance of Triple-Negative Breast Cancer Cells

Authors: Bahadir Batar, Elif Serdal, Berna Erdal, Hasan Ogul

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Micro-ribonucleic acids (miRNAs) are small short non-coding ribonucleic acid molecules about 22 nucleotides long. miRNAs play a key role in response to chemotherapeutic agents. WW domain-containing oxidoreductase (WWOX) gene encodes a tumor suppressor protein. Loss or reduction of Wwox protein is observed in many breast cancer cases. WWOX protein deficiency is increased in triple-negative breast cancer (TNBC). TNBC is a heterogeneous, highly aggressive, and difficult to treat tumor type. WWOX loss contributes to resistance to cisplatin therapy in patients with TNBC. Here, the aim of the study was to investigate the potential role of miRNAs in cisplatin therapy resistance of WWOX-deficient TNBC cells. This was a cell culture study. miRNA expression profiling was analyzed by LightCycler 480 system. miRNA Set Enrichment Analysis tool was used to integrate experimental data with literature-based biological knowledge to infer a new hypothesis. Increased miR-182 and decreased miR-214 were significantly correlated with cisplatin resistance in WWOX-deficient TNBC cells. miR-182 and miR-214 may involve in cisplatin resistance of WWOX-deficient TNBC cells by deregulating the DNA repair, apoptosis, or protein kinase B signaling pathways. These data highlight the mechanism by which WWOX regulates cisplatin resistance of TNBC and the potential use of WWOX as a predictor biomarker for cisplatin resistance.

Keywords: cisplatin, microRNA, triple-negative breast cancer, WWOX

Procedia PDF Downloads 109
1331 Wood Energy in Bangladesh: An Overview of Status, Challenges and Development

Authors: Md. Kamrul Hassan, Ari Pappinen

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Wood energy is the single most important form of renewable energy in many parts of the world especially in the least developing countries in South Asia like Bangladesh. The last portion of the national population of this country depends on wood energy for their daily primary energy need. This paper deals with the estimation of wood fuel at the current level and identifies the challenges and strategies related to the development of this resource. Desk research, interactive research and field survey were conducted for gathering and analyzing of data for this study. The study revealed that wood fuel plays a significant role in total primary energy supply in Bangladesh, and the contribution of wood fuel in final energy consumption in 2013 was about 24%. Trees on homestead areas, secondary plantation on off forest lands, and forests are the main sources of supplying wood fuel in the country. Insufficient supply of wood fuel against high upward demand is the main cause of concern for sustainable consumption, which eventually leads deterioration and depletion of the resources. Inadequate afforestation programme, lack of initiatives towards the utilization of set-aside lands for wood energy plantations, and inefficient management of the existing resources have been identified as the major impediments to the development of wood energy in Bangladesh. The study argued that enhancement of public-private-partnership afforestation programmes, intensifying the waste and marginal lands with short-rotation tree species, and formulation of biomass-based rural energy strategies at the regional level are relevant to the promotion of sustainable wood energy in the country.

Keywords: Bangladesh, challenge, supply, wood energy

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1330 Design and Development of Power Sources for Plasma Actuators to Control Flow Separation

Authors: Himanshu J. Bahirat, Apoorva S. Janawlekar

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Plasma actuators are essential for aerodynamic flow separation control due to their lack of mechanical parts, lightweight, and high response frequency, which have numerous applications in hypersonic or supersonic aircraft. The working of these actuators is based on the formation of a low-temperature plasma between a pair of parallel electrodes by the application of a high-voltage AC signal across the electrodes, after which air molecules from the air surrounding the electrodes are ionized and accelerated through the electric field. The high-frequency operation is required in dielectric discharge barriers to ensure plasma stability. To carry out flow separation control in a hypersonic flow, the optimal design and construction of a power supply to generate dielectric barrier discharges is carried out in this paper. In this paper, it is aspired to construct a simplified circuit topology to emulate the dielectric barrier discharge and study its various frequency responses. The power supply can generate high voltage pulses up to 20kV at the repetitive frequency range of 20-50kHz with an input power of 500W. The power supply has been designed to be short circuit proof and can endure variable plasma load conditions. Its general outline is to charge a capacitor through a half-bridge converter and then later discharge it through a step-up transformer at a high frequency in order to generate high voltage pulses. After simulating the circuit, the PCB design and, eventually, lab tests are carried out to study its effectiveness in controlling flow separation.

Keywords: aircraft propulsion, dielectric barrier discharge, flow separation control, power source

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1329 A Comparative Study Mechanical Properties of Polytetrafluoroethylene Materials Synthesized by Non-Conventional and Conventional Techniques

Authors: H. Lahlali F. El Haouzi, A.M.Al-Baradi, I. El Aboudi, M. El Azhari, A. Mdarhri

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Polytetrafluoroethylene (PTFE) is a high performance thermoplastic polymer with exceptional physical and chemical properties, such as a high melting temperature, high thermal stability, and very good chemical resistance. Nevertheless, manufacturing PTFE is problematic due to its high melt viscosity (10 12 Pa.s). In practice, it is by now well established that this property presents a serious problem when the classical methods are used to synthesized the dense PTFE materials in particularly hot pressing, high temperature extrusion. In this framework, we use here a new process namely spark plasma sintering (SPS) to elaborate PTFE samples from the micro metric particles powder. It consists in applying simultaneous electric current and pressure directly on the sample powder. By controlling the processing parameters of this technique, a series of PTFE samples are easy obtained and associated to remarkably short time as is reported in an early work. Our central goal in the present study is to understand how the non conventional SPS affects the mechanical properties at room temperature. For this end, a second commercially series of PTFE synthesized by using the extrusion method is investigated. The first data according to the tensile mechanical properties are found to be superior for the first set samples (SPS). However, this trend is not observed for the results obtained from the compression testing. The observed macro-behaviors are correlated to some physical properties of the two series of samples such as their crystallinity or density. Upon a close examination of these properties, we believe the SPS technique can be seen as a promising way to elaborate the polymer having high molecular mass without compromising their mechanical properties.

Keywords: PTFE, extrusion, Spark Plasma Sintering, physical properties, mechanical behavior

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1328 Body Mass Hurts Adolescent Girls More than Thin-Ideal Images

Authors: Javaid Marium, Ahmad Iftikhar

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This study was aimed to identify factors that affect negative mood and body image dissatisfaction in women. positive and negative affect, self esteem, body image satisfaction and figure rating scale was administered to 97 female undergraduate students. This served as a base line data for correlation analysis in the first instance. One week later participants who volunteered to appear in the second phase of the study (N=47) were shown thin- ideal images as an intervention and soon after they completed positive and negative affect schedule and body image states scale again as a post test. Results indicated body mass as a strong negative predictor of body image dis/satisfaction, self esteem was a moderate predictor and mood was not a significant predictor. The participants whose actual body shape was markedly discrepant with the ideally desired body shape had significantly low level of body image satisfaction (p < .001) than those with low discrepancy. Similar results were found for self esteem (p < .004). Both self esteem and body mass predicted body satisfaction about equally and significantly. However, on viewing thin-ideal images, the participants of different body weight showed no change in their body image satisfaction than before. Only the overweight participants were significantly affected on negative mood as a short term reaction after viewing the thin ideal images. Comparing the three groups based on their body mass, one-way ANOVA revealed significant difference on negative mood as well as body image satisfaction. This reveals body mass as a potent and stable factor that consistently and strongly affected body satisfaction not the transient portrayal of thin ideal images.

Keywords: body image satisfaction, thin-ideal images, media, mood affects, self esteem

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1327 Development and Obtaining of Solid Dispersions to Increase the Solubility of Efavirenz in Anti-HIV Therapy

Authors: Salvana P. M. Costa, Tarcyla A. Gomes, Giovanna C. R. M. Schver, Leslie R. M. Ferraz, Cristovão R. Silva, Magaly A. M. Lyra, Danilo A. F. Fonte, Larissa A. Rolim, Amanda C. Q. M. Vieira, Miracy M. Albuquerque, Pedro J. Rolim-neto

Abstract:

Efavirenz (EFV) is considered one of the most widely used anti-HIV drugs. However, it is classified as a drug class II (poorly soluble, highly permeable) according to the biopharmaceutical classification system, presenting problems of absorption in the gastrointestinal tract and thereby inadequate bioavailability for its therapeutic action. This study aimed to overcome these barriers by developing and obtaining solid dispersions (SD) in order to increase the EFZ bioavailability. For the development of SD with EFV, theoretical and practical studies were initially performed. Thus, there was a choice of a carrier to be used. For this, it was analyzed the various criteria such as glass transition temperature of the polymer, intra- and intermolecular interactions of hydrogen bonds between drug and polymer, the miscibility between the polymer and EFV. The choice of the obtainment method of the SD came from the analysis of which method is the most consolidated in both industry and literature. Subsequently, the choice of drug and carrier concentrations in the dispersions was carried out. In order to obtain DS to present the drug in its amorphous form, as the DS were obtained, they were analyzed by X-ray diffraction (XRD). SD are more stable the higher the amount of polymer present in the formulation. With this assumption, a SD containing 10% of drug was initially prepared and then this proportion was increased until the XRD showed the presence of EFV in its crystalline form. From this point, it was not produced SD with a higher concentration of drug. Thus, it was allowed to select PVP-K30, PVPVA 64 and the SOLUPLUS formulation as carriers, once it was possible the formation of hydrogen bond between EFV and polymers since these have hydrogen acceptor groups capable of interacting with the donor group of the drug hydrogen. It is worth mentioning also that the films obtained, independent of concentration used, were presented homogeneous and transparent. Thus, it can be said that the EFV is miscible in the three polymers used in the study. The SD and Physical Mixtures (PM) with these polymers were prepared by the solvent method. The EFV diffraction profile showed main peaks at around 2θ of 6,24°, in addition to other minor peaks at 14,34°, 17,08°, 20,3°, 21,36° and 25,06°, evidencing its crystalline character. Furthermore, the polymers showed amorphous nature, as evidenced by the absence of peaks in their XRD patterns. The XRD patterns showed the PM overlapping profile of the drug with the polymer, indicating the presence of EFV in its crystalline form. Regardless the proportion of drug used in SD, all the samples showed the same characteristics with no diffraction peaks EFV, demonstrating the behavior amorphous products. Thus, the polymers enabled, effectively, the formation of amorphous SD, probably due to the potential hydrogen bonds between them and the drug. Moreover, the XRD analysis showed that the polymers were able to maintain its amorphous form in a concentration of up to 80% drug.

Keywords: amorphous form, Efavirenz, solid dispersions, solubility

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1326 iPSCs More Effectively Differentiate into Neurons on PLA Scaffolds with High Adhesive Properties for Primary Neuronal Cells

Authors: Azieva A. M., Yastremsky E. V., Kirillova D. A., Patsaev T. D., Sharikov R. V., Kamyshinsky R. A., Lukanina K. I., Sharikova N. A., Grigoriev T. E., Vasiliev A. L.

Abstract:

Adhesive properties of scaffolds, which predominantly depend on the chemical and structural features of their surface, play the most important role in tissue engineering. The basic requirements for such scaffolds are biocompatibility, biodegradation, high cell adhesion, which promotes cell proliferation and differentiation. In many cases, synthetic polymers scaffolds have proven advantageous because they are easy to shape, they are tough, and they have high tensile properties. The regeneration of nerve tissue still remains a big challenge for medicine, and neural stem cells provide promising therapeutic potential for cell replacement therapy. However, experiments with stem cells have their limitations, such as low level of cell viability and poor control of cell differentiation. Whereas the study of already differentiated neuronal cell culture obtained from newborn mouse brain is limited only to cell adhesion. The growth and implantation of neuronal culture requires proper scaffolds. Moreover, the polymer scaffolds implants with neuronal cells could demand specific morphology. To date, it has been proposed to use numerous synthetic polymers for these purposes, including polystyrene, polylactic acid (PLA), polyglycolic acid, and polylactide-glycolic acid. Tissue regeneration experiments demonstrated good biocompatibility of PLA scaffolds, despite the hydrophobic nature of the compound. Problem with poor wettability of the PLA scaffold surface could be overcome in several ways: the surface can be pre-treated by poly-D-lysine or polyethyleneimine peptides; roughness and hydrophilicity of PLA surface could be increased by plasma treatment, or PLA could be combined with natural fibers, such as collagen or chitosan. This work presents a study of adhesion of both induced pluripotent stem cells (iPSCs) and mouse primary neuronal cell culture on the polylactide scaffolds of various types: oriented and non-oriented fibrous nonwoven materials and sponges – with and without the effect of plasma treatment and composites with collagen and chitosan. To evaluate the effect of different types of PLA scaffolds on the neuronal differentiation of iPSCs, we assess the expression of NeuN in differentiated cells through immunostaining. iPSCs more effectively differentiate into neurons on PLA scaffolds with high adhesive properties for primary neuronal cells.

Keywords: PLA scaffold, neurons, neuronal differentiation, stem cells, polylactid

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1325 Triple Intercell Bar for Electrometallurgical Processes: A Design to Increase PV Energy Utilization

Authors: Eduardo P. Wiechmann, Jorge A. Henríquez, Pablo E. Aqueveque, Luis G. Muñoz

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PV energy prices are declining rapidly. To take advantage of the benefits of those prices and lower the carbon footprint, operational practices must be modified. Undoubtedly, it challenges the electrowinning practice to operate at constant current throughout the day. This work presents a technology that contributes in providing modulation capacity to the electrode current distribution system. This is to raise the day time dc current and lower it at night. The system is a triple intercell bar that operates in current-source mode. The design is a capping board free dogbone type of bar that ensures an operation free of short circuits, hot swapability repairs and improved current balance. This current-source system eliminates the resetting currents circulating in equipotential bars. Twin auxiliary connectors are added to the main connectors providing secure current paths to bypass faulty or impaired contacts. All system conductive elements are positioned over a baseboard offering a large heat sink area to the ventilation of a facility. The system works with lower temperature than a conventional busbar. Of these attributes, the cathode current balance property stands out and is paramount for day/night modulation and the use of photovoltaic energy. A design based on a 3D finite element method model predicting electric and thermal performance under various industrial scenarios is presented. Preliminary results obtained in an electrowinning facility with industrial prototypes are included.

Keywords: electrowinning, intercell bars, PV energy, current modulation

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1324 The Impact of Ozone on the Sensory Perception of Pumpkin Seeds and its Toxicity against Plodia interpunctella (Lepidoptera: Pyralidae)

Authors: Saba Goudarzi Dehrizifar, Aysan Afradi

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The utilization of ozone treatment as a potential technique for storage pest control has gained significant attention. This approach presents an alternative to traditional chemical methods. In the current study, the mortality rates of Plodia interpunctella as a primary pest found in stored products particularly nuts, were examined after being exposed to different O3 concentration (minimum, half, and maximum) in three replicates and within 24 hours. As the concentration of O3 increased, the mortality rates of P. interpunctella also experienced a dramatic growth. A 20-member panel (men and women in different ages), formed from the society community, was selected for sensory evaluation. The pumpkin seeds samples were coded and presented randomly in identical containers. The panelists were asked to evaluate their degree of liking or disliking on a seven-point hedonic scale using descriptive categories, ranging 1-7 (1: extremely dislike, 2: very dislike, 3: dislike, 4: no difference, 5: like, 6: very like, and 7: extremely like). The results obtained from experiments on the qualitative characteristics of the studied dates through the sensory test revealed that O3 concentration did not affect their color, crispness, firmness, and overall acceptance and the half concentration of ozone on pumpkin seed had the highest consumption interest. Moreover, minimal alterations were observed in the aroma of the pumpkin seeds, which could be resolved with a short period of air exposure. Therefore, it could be concluded that the atmospheric O3 gas provided a cost-effective and environmentally friendly way for controlling the insect pests in pumpkin seeds, besides preserving their sensory and quality properties.

Keywords: zone, control, pumpkin seeds, qualitative characteristics

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1323 A New Multi-Target, Multi-Agent Search and Rescue Path Planning Approach

Authors: Jean Berger, Nassirou Lo, Martin Noel

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Perfectly suited for natural or man-made emergency and disaster management situations such as flood, earthquakes, tornadoes, or tsunami, multi-target search path planning for a team of rescue agents is known to be computationally hard, and most techniques developed so far come short to successfully estimate optimality gap. A novel mixed-integer linear programming (MIP) formulation is proposed to optimally solve the multi-target multi-agent discrete search and rescue (SAR) path planning problem. Aimed at maximizing cumulative probability of successful target detection, it captures anticipated feedback information associated with possible observation outcomes resulting from projected path execution, while modeling agent discrete actions over all possible moving directions. Problem modeling further takes advantage of network representation to encompass decision variables, expedite compact constraint specification, and lead to substantial problem-solving speed-up. The proposed MIP approach uses CPLEX optimization machinery, efficiently computing near-optimal solutions for practical size problems, while giving a robust upper bound obtained from Lagrangean integrality constraint relaxation. Should eventually a target be positively detected during plan execution, a new problem instance would simply be reformulated from the current state, and then solved over the next decision cycle. A computational experiment shows the feasibility and the value of the proposed approach.

Keywords: search path planning, search and rescue, multi-agent, mixed-integer linear programming, optimization

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1322 Value Adding of Waste Biomass of Capsicum and Chilli Crops for Medical and Health Supplement Industries

Authors: Mursleen Yasin, Sunil Panchal, Michelle Mak, Zhonghua Chen

Abstract:

“The use of agricultural and horticultural waste to obtain beneficial products. Thus reduce its environmental impact and help the general population.” Every year 20 billion dollars of food is wasted in the world. All the energy, resources, nutrients and metabolites are lost to the landfills as well. On farm production losses are a main issue in agriculture. Almost 25% vegetables never leave the farm because they are not considered perfect for supermarkets and treated as waste material along with the rest of the plant parts. For capsicums, this waste is 56% of the total crop. Capsicum genus is enriched with a group of compounds called capsaicinoids which are a source of spiciness of these fruits. Capsaicin and dihydrocapsaicin are the major members comprising almost 90% of this group. The major production and accumulation site is the non-edible part of fruit i.e., placenta. Other parts of the plant, like stem, leaves, pericarp and seeds, also contain these pungent compounds. Capsaicinoids are enriched with properties like analgesic, antioxidants, anti-inflammatory, antibacterial, anti-virulence anti-carcinogenic, chemo preventive, chemotherapeutic, antidiabetic etc. They are also effective in treating problems related to gastrointestinal tract, lowering cholesterol and triglycerides in obesity. The aim of the study is to develop a standardised technique for capsaicinoids extraction and to identify better nutrient treatment for fruit and capsaicinoids yield. For research 3 capsicum and 2 chilli varieties were grown in a high-tech glass house facility in Sydney, Australia. Plants were treated with three levels of nutrient treatments i.e., EC 1.8, EC 2.8 and EC 3.8 in order to check its effect on fruit yield and capsaicinoids concentration. Solvent extraction procedure is used with 75% ethanol to extract these secondary metabolites. Physiological, post-harvest and waste biomass measurement and metabolomic analysis are also performed. The results showed that EC 2.8 gave the better fruit yield of capsicums, and those fruits have the higher capsaicinoids concentration. For chillies, higher EC levels had better results than lower treatment. The UHPLC analysis is done to quantify the compounds, and a decrease in capsaicin concentration is observed with the crop maturation. The outcome of this project is a sustainable technique for extraction of capsaicinoids which can easily be adopted by farmers. In this way, farmers can help in value adding of waste by extracting and selling capsaicinoids to nutraceutical and pharmaceutical industries and also earn some secondary income from the 56% waste of capsicum crop.

Keywords: capsaicinoids, plant waste, capsicum, solvent extraction, waste biomass

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1321 Changes in EEG and Emotion Regulation in the Course of Inward-Attention Meditation Training

Authors: Yuchien Lin

Abstract:

This study attempted to investigate the changes in electroencephalography (EEG) and emotion regulation following eight-week inward-attention meditation training program. The subjects were 24 adults without meditation experiences divided into meditation and control groups. The quantitatively analyzed changes in psychophysiological parameters during inward-attention meditation, and evaluated the emotion scores assessed by the State-Trait Anxiety Inventory (STAI), the Positive and Negative Affect Schedule (PANAS), and the Emotion Regulation Scale (ERS). The results were found: (1) During meditation, significant EEG increased for theta-band activity in the frontal and the bilateral temporal areas, for alpha-band activity in the left and central frontal areas, and for gamma-band activity in the left frontal and the left temporal areas. (2) The meditation group had significantly higher positive affect in posttest than in pretest. (3) There was no significant difference in the changes of EEG spectral characteristics and emotion scores in posttest and pretest for the control group. In the present study, a unique meditative concentration task with a constant level of moderate mental effort focusing on the center of brain was used, so as to enhance frontal midline theta, alpha, and gamma-band activity. These results suggest that this mental training allows individual reach a specific mental state of relaxed but focused awareness. The gamma-band activity, in particular, enhanced over left frontoparietal area may suggest that inward-attention meditation training involves temporal integrative mechanisms and may induce short-term and long-term emotion regulation abilities.

Keywords: meditation, EEG, emotion regulation, gamma activity

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1320 Ureteral Stents with Extraction Strings: Patient-Reported Outcomes

Authors: Rammah Abdlbagi, Similoluwa Biyi, Aakash Pai

Abstract:

Introduction: Short-term ureteric stents are commonly placed after ureteroscopy procedures. The removal usually entails having a flexible cystoscopy, which entails a further invasive procedure. There are often delays in removing the stent as departments have limited cystoscopy availability. However, if stents with extraction strings are used, the patient or a clinician can remove them. The aim of the study is to assess the safety and effectiveness of the use of a stent with a string. Method: A retrospective, single-institution study was conducted over a three-month period. Twenty consecutive patients had ureteric stents with string insertion. Ten of the patients had a stent removal procedure previously with flexible cystoscopy. A validated questionnaire was used to assess outcomes. Primary outcomes included: dysuria, hematuria, urinary frequency, and disturbance of the patient’s daily activities. Secondary outcomes included pain experience during the stent removal. Result: Fifteen patients (75%) experienced hematuria and frequency. Two patients experienced pain and discomfort during the stent removal (10%). Two patients had experienced a disturbance in their daily activity (10%). All patients who had stent removal before using flexible cystoscopy preferred the removal of the stent using a string. None of the patients had stent displacement. The median stent dwell time was five days. Conclusion: Patient reported outcomes measures for the indwelling period of a stent with extraction string are equivalent to the published data on stents. Extraction strings mean that the stent dwell time can be reduced. The removal of the stent on extraction strings is more tolerable than the conventional stent.

Keywords: ureteric stent, string flexible cystoscopy, stent symptoms, validated questionnaire

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1319 Using Artificial Intelligence Technology to Build the User-Oriented Platform for Integrated Archival Service

Authors: Lai Wenfang

Abstract:

Tthis study will describe how to use artificial intelligence (AI) technology to build the user-oriented platform for integrated archival service. The platform will be launched in 2020 by the National Archives Administration (NAA) in Taiwan. With the progression of information communication technology (ICT) the NAA has built many systems to provide archival service. In order to cope with new challenges, such as new ICT, artificial intelligence or blockchain etc. the NAA will try to use the natural language processing (NLP) and machine learning (ML) skill to build a training model and propose suggestions based on the data sent to the platform. NAA expects the platform not only can automatically inform the sending agencies’ staffs which records catalogues are against the transfer or destroy rules, but also can use the model to find the details hidden in the catalogues and suggest NAA’s staff whether the records should be or not to be, to shorten the auditing time. The platform keeps all the users’ browse trails; so that the platform can predict what kinds of archives user could be interested and recommend the search terms by visualization, moreover, inform them the new coming archives. In addition, according to the Archives Act, the NAA’s staff must spend a lot of time to mark or remove the personal data, classified data, etc. before archives provided. To upgrade the archives access service process, the platform will use some text recognition pattern to black out automatically, the staff only need to adjust the error and upload the correct one, when the platform has learned the accuracy will be getting higher. In short, the purpose of the platform is to deduct the government digital transformation and implement the vision of a service-oriented smart government.

Keywords: artificial intelligence, natural language processing, machine learning, visualization

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1318 Toehold Mediated Shape Transition of Nucleic Acid Nanoparticles

Authors: Emil F. Khisamutdinov

Abstract:

Development of functional materials undergoing structural transformations in response to an external stimulus such as environmental changes (pH, temperature, etc.), the presence of particular proteins, or short oligonucleotides are of great interest for a variety of applications ranging from medicine to electronics. The dynamic operations of most nucleic acid (NA) devices, including circuits, nano-machines, and biosensors, rely on networks of NA strand displacement processes in which an external or stimulus strand displaces a target strand from a DNA or RNA duplex. The rate of strand displacement can be greatly increased by the use of “toeholds,” single-stranded regions of the target complex to which the invading strand can bind to initiate the reaction, forming additional base pairs that provide a thermodynamic driving force for transformation. Herein, we developed a highly robust nanoparticle shape transition, sequentially transforming DNA polygons from one shape to another using the toehold-mediated DNA strand displacement technique. The shape transformation was confirmed by agarose gel electrophoresis and atomic force microscopy. Furthermore, we demonstrate that our approach is applicable for RNA shape transformation from triangle to square, which can be detected by fluorescence emission from malachite green binding RNA aptamer. Using gel-shift and fluorescence assays, we demonstrated efficient transformation occurs at isothermal conditions (37°C) that can be implemented within living cells as reporter molecules. This work is intended to provide a simple, cost-effective, and straightforward model for the development of biosensors and regulatory devices in nucleic acid nanotechnology.

Keywords: RNA nanotechnology, bionanotechnology, toehold mediated DNA switch, RNA split fluorogenic aptamers

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1317 Reagentless Detection of Urea Based on ZnO-CuO Composite Thin Film

Authors: Neha Batra Bali, Monika Tomar, Vinay Gupta

Abstract:

A reagentless biosensor for detection of urea based on ZnO-CuO composite thin film is presented in following work. Biosensors have immense potential for varied applications ranging from environmental to clinical testing, health care, and cell analysis. Immense growth in the field of biosensors is due to the huge requirement in today’s world to develop techniques which are both cost effective and accurate for prevention of disease manifestation. The human body comprises of numerous biomolecules which in their optimum levels are essential for functioning. However mismanaged levels of these biomolecules result in major health issues. Urea is one of the key biomolecules of interest. Its estimation is of paramount significance not only for healthcare sector but also from environmental perspectives. If level of urea in human blood/serum is abnormal, i.e., above or below physiological range (15-40mg/dl)), it may lead to diseases like renal failure, hepatic failure, nephritic syndrome, cachexia, urinary tract obstruction, dehydration, shock, burns and gastrointestinal, etc. Various metal nanoparticles, conducting polymer, metal oxide thin films, etc. have been exploited to act as matrix to immobilize urease to fabricate urea biosensor. Amongst them, Zinc Oxide (ZnO), a semiconductor metal oxide with a wide band gap is of immense interest as an efficient matrix in biosensors by virtue of its natural abundance, biocompatibility, good electron communication feature and high isoelectric point (9.5). In spite of being such an attractive candidate, ZnO does not possess a redox couple of its own which necessitates the use of electroactive mediators for electron transfer between the enzyme and the electrode, thereby causing hindrance in realization of integrated and implantable biosensor. In the present work, an effort has been made to fabricate a matrix based on ZnO-CuO composite prepared by pulsed laser deposition (PLD) technique in order to incorporate redox properties in ZnO matrix and to utilize the same for reagentless biosensing applications. The prepared bioelectrode Urs/(ZnO-CuO)/ITO/glass exhibits high sensitivity (70µAmM⁻¹cm⁻²) for detection of urea (5-200 mg/dl) with high stability (shelf life ˃ 10 weeks) and good selectivity (interference ˂ 4%). The enhanced sensing response obtained for composite matrix is attributed to the efficient electron exchange between ZnO-CuO matrix and immobilized enzymes, and subsequently fast transfer of generated electrons to the electrode via matrix. The response is encouraging for fabricating reagentless urea biosensor based on ZnO-CuO matrix.

Keywords: biosensor, reagentless, urea, ZnO-CuO composite

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1316 Human Development Outcomes and Macroeconomic Indicators Nexus in Nigeria: An Empirical Investigation

Authors: Risikat Oladoyin S. Dauda, Onyebuchi Iwegbu

Abstract:

This study investigates the response of human development outcomes to selected macroeconomic indicators in Nigeria. Human development outcomes is measured by human development index while the selected macroeconomic variables are inflation rate, real interest rate, government capital expenditure, real exchange rate, current account balance, and savings. Structural Vector Autoregression (SVAR) technique is employed in examining the response of human development index to the macroeconomic shocks. The result from the forecast error variance decomposition and Impulse-Response analysis reveals that fiscal policy (government capital expenditure) shock is the greatest determinant of human development outcomes. This result reiterates the role which the government plays in improving the welfare of the citizenry. The fiscal policy tool is pivotal in human development which comes in the form of investment in education, health, housing, and infrastructure. Further conclusion drawn from this study is that human development outcome positively and significantly responds to shocks from real interest rate, a monetary policy transmission variable and is felt greatly in the short run period. The policy implication of this study is that if capital budget implementation falls below expectations, human development will be engendered. Hence, efforts should be made to ensure that full implementation and appraisal of government capital expenditure is taken sacrosanct as any shock from such plan, engenders human development outcome.

Keywords: human development outcome, macroeconomic outcomes, structural vector autoregression, SVAR

Procedia PDF Downloads 138
1315 Numerical and Experimental Investigation of Air Distribution System of Larder Type Refrigerator

Authors: Funda Erdem Şahnali, Ş. Özgür Atayılmaz, Tolga N. Aynur

Abstract:

Almost all of the domestic refrigerators operate on the principle of the vapor compression refrigeration cycle and removal of heat from the refrigerator cabinets is done via one of the two methods: natural convection or forced convection. In this study, airflow and temperature distributions inside a 375L no-frost type larder cabinet, in which cooling is provided by forced convection, are evaluated both experimentally and numerically. Airflow rate, compressor capacity and temperature distribution in the cooling chamber are known to be some of the most important factors that affect the cooling performance and energy consumption of a refrigerator. The objective of this study is to evaluate the original temperature distribution in the larder cabinet, and investigate for better temperature distribution solutions throughout the refrigerator domain via system optimizations that could provide uniform temperature distribution. The flow visualization and airflow velocity measurements inside the original refrigerator are performed via Stereoscopic Particle Image Velocimetry (SPIV). In addition, airflow and temperature distributions are investigated numerically with Ansys Fluent. In order to study the heat transfer inside the aforementioned refrigerator, forced convection theories covering the following cases are applied: closed rectangular cavity representing heat transfer inside the refrigerating compartment. The cavity volume has been represented with finite volume elements and is solved computationally with appropriate momentum and energy equations (Navier-Stokes equations). The 3D model is analyzed as transient, with k-ε turbulence model and SIMPLE pressure-velocity coupling for turbulent flow situation. The results obtained with the 3D numerical simulations are in quite good agreement with the experimental airflow measurements using the SPIV technique. After Computational Fluid Dynamics (CFD) analysis of the baseline case, the effects of three parameters: compressor capacity, fan rotational speed and type of shelf (glass or wire) are studied on the energy consumption; pull down time, temperature distributions in the cabinet. For each case, energy consumption based on experimental results is calculated. After the analysis, the main effective parameters for temperature distribution inside a cabin and energy consumption based on CFD simulation are determined and simulation results are supplied for Design of Experiments (DOE) as input data for optimization. The best configuration with minimum energy consumption that provides minimum temperature difference between the shelves inside the cabinet is determined.

Keywords: air distribution, CFD, DOE, energy consumption, experimental, larder cabinet, refrigeration, uniform temperature

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1314 Philippine Foreign Policy in the West Philippine Sea after the 2012 Scarborough Standoff: Implications for National Security

Authors: Rhisan Mae Enriquez-Morales

Abstract:

The primary concern of this study is to answer the question: How does the Philippine government formulate its foreign policy with respect to its territorial claims over areas in the West Philippine Sea after the Scarborough standoff in April 2012? Specifically, the study seeks to provide understanding on the political process in the formulation of foreign policy relating to the Philippine claims in the West Philippine Sea after the 2012 Scarborough Standoff, by looking into the relationship of bureaucracies and how it influences the decision-making process. Secondly, this study aims to determine the long and short term foreign policies of the Philippines with respect to its territorial claims over the West Philippine Sea. Lastly, this study seeks to determine the implication of Philippine foreign policy in settling the West Philippine Sea dispute on the country’s national security. The Bureaucratic Politics Model (BPM) in Foreign Policy Analysis (FPA) is the framework utilized in this study, which focuses primarily on the relationship of bureaucracies in the formulation of foreign policy and how these agencies influence the process of foreign policy formulation. The findings of this study reveal that: first, the Philippines foreign policy in the West Philippine Sea continues to develop to address current developments in the WPS. Second, as the government requires demilitarization there is a shift from traditional to non-traditional security approach. This shift caused inconvenience from the defense sector particularly the Navy thinking that they are being deprived of their traditional roles. Lastly, the Philippine government’s greater emphasis on internal security operation implies the need to reassess its security concerns and look into territorial security.

Keywords: bureaucratic politics model, foreign policy analysis, security, West Philippine sea

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1313 Survey of Hawke's Bay Tourism Based Businesses: Tsunami Understanding and Preparation

Authors: V. A. Ritchie

Abstract:

The loss of life and livelihood experienced after the magnitude 9.3 Sumatra earthquake and tsunami on 26 December 2004 and magnitude 9 earthquake and tsunami in northeastern Japan on 11 March 2011, has raised global awareness and brought tsunami phenomenology, nomenclature, and representation into sharp focus. At the same time, travel and tourism continue to increase, contributing around 1 in 11 jobs worldwide. This increase in tourism is especially true for coastal zones, placing pressure on decision-makers to downplay tsunami risks and at the same time provide adequate tsunami warning so that holidaymakers will feel confident enough to visit places of high tsunami risk. This study investigates how well tsunami preparedness messages are getting through for tourist-based businesses in Hawke’s Bay New Zealand, a region of frequent seismic activity and a high probability of experiencing a nearshore tsunami. The aim of this study is to investigate whether tourists based businesses are well informed about tsunamis, how well they understand that information and to what extent their clients are included in awareness raising and evacuation processes. In high-risk tsunami zones, such as Hawke’s Bay, tourism based businesses face competitive tension between short term business profitability and longer term reputational issues related to preventable loss of life from natural hazards, such as tsunamis. This study will address ways to accommodate culturally and linguistically relevant tourist awareness measures without discouraging tourists or being too costly to implement.

Keywords: tsunami risk and response, travel and tourism, business preparedness, cross cultural knowledge transfer

Procedia PDF Downloads 136
1312 Disrupting Microaggressions in the Academic Workplace: The Role of Bystanders

Authors: Tugba Metinyurt

Abstract:

Microaggressions are small, everyday verbal and behavioral slights that communicate derogatory messages to individuals on the basis of their group membership. They are often unintentional and not intended to do harm, and yet research has shown that their cumulative effect can be quite detrimental. The current pilot study focuses on the role of bystanders disrupting gender microaggressions and potential barriers of challenging them in the academic workplace at University of Massachusetts Lowell (UML). The participants in this study included 9 male and 20 female from faculty of different disciplines at UML. A Barriers to Intervening Questionnaire asks respondents 1) to rate barriers to intervening in situations described in three short vignettes and 2) to identify more general factors that make it more or less likely that UML faculty will intervene in microaggressions as bystanders through response to an open-ended question. Responses to the questionnaire scales that ask about respondents’ own reactions to the vignettes indicated that faculty may hesitate to interrupt gender microaggressions to avoid being perceived as offensive, losing their relationship with their coworkers, and engaging possible arguments. Responses to the open-ended question, which asked more generally about perceived barriers, revealed a few additional barriers; lack of interpersonal and institutional support, repercussion to self, personal orientation/personality, and privilege. Interestingly, participants tended to describe the obstacles presented in the questionnaire as unlikely to prevent them from intervening, yet the same barriers were suggested to be issues for others on the open-ended questions. Limitations and future directions are discussed. The barriers identified in this research can inform efforts to create bystander trainings to interrupt microaggressions in the academic workplaces.

Keywords: academic workplace, bystander behavior, implicit bias, microaggressions

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1311 H₆P₂W₁₈O₆₂.14H₂O Catalyzed Synthesis and X-Ray Study of α-Aminophosphonates

Authors: Sarra Boughaba

Abstract:

The α-aminophosphonates have received considerable attention in organic and medicinal chemistry because of their structural resemblance with α-amino acids. They are used as antitumor agents, anti-inflammatory and antibiotics. As a result, a number of procedures have been developed for their synthesis. However, many of these methods suffer from some disadvantages such as long reaction times, environmental pollution caused by utilization of organic solvents, and expensive catalyst. On the other hand, thiazole components, particularly 2-aminothiazole is an important class of heterocyclic compounds. They appear in the structure of natural products and biologically actives compounds, thiamine (vitamin-B), and some antibiotics drugs (penicillin, micrococcin). In the past few years, heteropolyacids have received great attention as environmentally benign catalysts for organic synthetic processes, they possess unique physicochemical properties, such as super-acidity, high thermal and chemical stability, ability to accept and release electrons and high proton mobility, and the possibility of varying their acidity and oxidizing potential. In this study, an efficient and eco-friendly process has been developed for the synthesis of α-aminophosphonates containing aminothiazole moiety via Kabachnik-Field reaction catalyzed by H₆P₂W₁₈O₆₂.14H₂O as reusable catalyst, by condensation of aromatic aldehydes, 2-aminothiazole and triethylphosphite under free conditions. The X-ray crystallographic data of obtained compounds were provided. The main advantages of our protocol include the absence of solvent in the reaction, easy work-up, short reaction time, atom-economy and reusability of catalyst without significant loss of its activity.

Keywords: aminophosphonates, green synthesis, H₆P₂W₁₈O₆₂.14H₂O catalyst, x-ray study

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1310 Goals, Rights and Obligations, and Moral Order: An Evaluation Approach to Chinese-Kenyan Relating Experience

Authors: Zhaohui Tian

Abstract:

China’s growing and deepening engagement in Africa has attracted numerous controversial debates on Chinese-African social-racial relations both in the media and academia. Most research tends to discuss this issue and the tensions involved at the state level, but limited attention has been given to the individual relating processes of those two racial groups from an intercultural politeness evaluation angle. Thus, taking Kenya as a country focus and putting it under recent perspectives on pragmatics and politeness, this study explores the Chinese-Kenyan workplace relating experience in Chinese-owned companies with the aim to offer new insights on Chinese-African social-racial tensions. The original data were collected through 25 interviews from 29 Chinese and Kenyan participants working in different Chinese companies and industries, some of which had been later on converted into 182 short story data in order to better capture the process and content dimensions of their experiences using Spencer &Kádár’s politeness evaluation model. Both interview and story data were analysed in MAXQDA to understand the personal relating process and the criteria they were drawing from when making evaluative judgements of their relations. The result particular draws attention to tensions around goals, rights, and obligations, and social-moral dimensions that had been underrepresented in intercultural and pragmatics literature. The study offers alternative empirical insights into Chinese-Kenyan relations from an intercultural politeness management perspective and the possible mismatches of the evaluative criteria that potentially cause tension in this context.

Keywords: chinese-kenyan, evaluation, relating, workplace

Procedia PDF Downloads 86
1309 In-Fun-Mation: Putting the Fun in Information Retrieval at the Linnaeus University, Sweden

Authors: Aagesson, Ekstrand, Persson, Sallander

Abstract:

A description of how a team of librarians at Linnaeus University Library in Sweden utilizes a pedagogical approach to deliver engaging digital workshops on information retrieval. The team consists of four librarians supporting three different faculties. The paper discusses the challenges faced in engaging students who may perceive information retrieval as a boring and difficult subject. The paper emphasizes the importance of motivation, inclusivity, constructive feedback, and collaborative learning in enhancing student engagement. By employing a two-librarian teaching model, maintaining a lighthearted approach, and relating information retrieval to everyday experiences, the team aimed to create an enjoyable and meaningful learning experience. The authors describe their approach to increase student engagement and learning outcomes through a three-phase workshop structure: before, during, and after the workshops. The "flipped classroom" method was used, where students were provided with pre-workshop materials, including a short film on information search and encouraged to reflect on the topic using a digital collaboration tool. During the workshops, interactive elements such as quizzes, live demonstrations, and practical training were incorporated, along with opportunities for students to ask questions and provide feedback. The paper concludes by highlighting the benefits of the flipped classroom approach and the extended learning opportunities provided by the before and after workshop phases. The authors believe that their approach offers a sustainable alternative for enhancing information retrieval knowledge among students at Linnaeus University.

Keywords: digital workshop, flipped classroom, information retrieval, interactivity, LIS practitioner, student engagement

Procedia PDF Downloads 47
1308 Finite Element Molecular Modeling: A Structural Method for Large Deformations

Authors: A. Rezaei, M. Huisman, W. Van Paepegem

Abstract:

Atomic interactions in molecular systems are mainly studied by particle mechanics. Nevertheless, researches have also put on considerable effort to simulate them using continuum methods. In early 2000, simple equivalent finite element models have been developed to study the mechanical properties of carbon nanotubes and graphene in composite materials. Afterward, many researchers have employed similar structural simulation approaches to obtain mechanical properties of nanostructured materials, to simplify interface behavior of fiber-reinforced composites, and to simulate defects in carbon nanotubes or graphene sheets, etc. These structural approaches, however, are limited to small deformations due to complicated local rotational coordinates. This article proposes a method for the finite element simulation of molecular mechanics. For ease in addressing the approach, here it is called Structural Finite Element Molecular Modeling (SFEMM). SFEMM method improves the available structural approaches for large deformations, without using any rotational degrees of freedom. Moreover, the method simulates molecular conformation, which is a big advantage over the previous approaches. Technically, this method uses nonlinear multipoint constraints to simulate kinematics of the atomic multibody interactions. Only truss elements are employed, and the bond potentials are implemented through constitutive material models. Because the equilibrium bond- length, bond angles, and bond-torsion potential energies are intrinsic material parameters, the model is independent of initial strains or stresses. In this paper, the SFEMM method has been implemented in ABAQUS finite element software. The constraints and material behaviors are modeled through two Fortran subroutines. The method is verified for the bond-stretch, bond-angle and bond-torsion of carbon atoms. Furthermore, the capability of the method in the conformation simulation of molecular structures is demonstrated via a case study of a graphene sheet. Briefly, SFEMM builds up a framework that offers more flexible features over the conventional molecular finite element models, serving the structural relaxation modeling and large deformations without incorporating local rotational degrees of freedom. Potentially, the method is a big step towards comprehensive molecular modeling with finite element technique, and thereby concurrently coupling an atomistic domain to a solid continuum domain within a single finite element platform.

Keywords: finite element, large deformation, molecular mechanics, structural method

Procedia PDF Downloads 133