Search results for: planned behavior theory
7894 Web-Based Alcohol Prevention among Iranian Medical University Students: A Randomized Control Trail
Authors: Farzad Jalilian, Mehdi Mirzaei Alavijeh
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Background: E-interventions as a universal approach to prevent a high-risk behavior, such as alcohol drinking. This study was conducted to evaluate web-based alcohol drinking preventative intervention efficiency among medical university students in Iran. Methods: Overall, 150 freshman and sophomore male student’s college students participated in this study as intervention and control group. This was a longitudinal randomized pre- and post-test series control group design panel study to implement a behavior modification based intervention to alcohol drinking prevention among college students. Cross-tabulation, t-test, repeated measures, and GEE by using SPSS statistical package, version 21 was used for the statistical analysis. The participants were followed up for 6 months with data collection scheduled at baseline, 3 and 6 months. The primary outcomes are attitude, self-control, and sensation seeking. Furthermore, the secondary outcome is comparing alcohol drinking among the study groups. Results: It was found significant reduce in average response for an attitude towards alcohol drinking and sensation seeking among intervention group (P < 0.05). But after intervention not significant difference between intervention and control group of improve self-control and reduce alcohol drinking (P > 0.05). Conclusion: Our intervention has been accompanied with reducing alcohol use rate. These findings indicate that e-intervention may be effectiveness approach to address the alcohol prevention among college students.Keywords: e-interventions, alcohol drinking, students, Iran
Procedia PDF Downloads 4177893 Service Quality and Consumer Behavior on Metered Taxi Services
Authors: Nattapong Techarattanased
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The purposes of this research are to make comparisons in respect of the behaviors on the use of the services of metered taxi classified by the demographic factor and to study the influence of the recognition on service quality having the effect on usage behaviors of metered taxi services of consumers in Bangkok Metropolitan Areas. The samples used in this research are 400 metered taxi service users in Bangkok Metropolitan Areas and use a questionnaire as the tool for collecting the data. Analysis statistics is mean and multiple regression analysis. Results of the research revealed that the consumers recognize the overall quality of services in each aspect include tangible aspects of the service, responses to customers, assurance on the confidence, understanding and knowing of customers which is rated at the moderate level except the aspect of the assurance on the confidence and trustworthiness which are rated at a high level. For the result of a hypothetical test, it is found that the quality in providing the services on the aspect of the assurance given to the customers has the effect on the usage behaviors of metered taxi services and the aspect of the frequency on the use of the services per month which in this connection. Such variable can forecast at one point nine percent (1.9%). In addition, quality in providing the services and the aspect of the responses to customers have the effect on the behaviors on the use of metered taxi services on the aspect of the expenses on the use of services per month which in this connection, such variable can forecast at two point one percent (2.1%).Keywords: consumer behavior, metered taxi service, satisfaction, service quality
Procedia PDF Downloads 2267892 Understanding the Interplay between Consumer Knowledge, Trust and Relationship Satisfaction in Financial Services
Authors: Torben Hansen, Lars Gronholdt, Alexander Josiassen, Anne Martensen
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Consumers often exhibit a bias in their knowledge; they often think that they know more or less than they do. The concept of 'knowledge over/underconfidence' (O/U) has in previous studies been used to investigate such knowledge bias. O/U appears as a combination of subjective and objective knowledge. Subjective knowledge relates to consumers’ perception of their knowledge, while objective knowledge relates to consumers’ absolute knowledge measured by objective standards. This separation leads to three scenarios: The consumer can either be knowledge calibrated (subjective and objective knowledge are similar), overconfident (subjective knowledge exceeds objective knowledge) or underconfident (objective knowledge exceeds subjective knowledge). Knowledge O/U is a highly useful concept in understanding consumer choice behavior. For example, knowledge overconfident individuals are likely to exaggerate their ability to make right choices, are more likely to opt out of necessary information search, spend less time to carry out a specific task than less knowledge confident consumers, and are more likely to show high financial trading volumes. Through the use of financial services as a case study, this study contributes to previous research by examining how consumer knowledge O/U affects two types of trust (broad-scope trust and narrow-scope trust) and consumer relationship satisfaction. Trust does not only concern consumer trust in individual companies (i.e., narrow.-scope confidence NST), but also concerns consumer confidence in the broader business context in which consumers plan and implement their behavior (i.e., broad scope trust, BST). NST is defined as "the expectation that the service provider can be relied on to deliver on its promises’, while BST is defined as ‘the expectation that companies within a particular business type can generally be relied on to deliver on their promises.’ This study expands our understanding of the interplay between consumer knowledge bias, consumer trust, and relationship marketing in two main ways: First, it is demonstrated that the more knowledge O/U a consumer becomes, the higher/lower NST and levels of relationship satisfaction will be. Second, it is demonstrated that BST has a negative moderating effect on the relationship between knowledge O/U and satisfaction, such that knowledge O/U has a higher positive/negative effect on relationship satisfaction when BST is low vs. high. The data for this study comprises 756 mutual fund investors. Trust is particularly important in consumers’ mutual fund behavior because mutual funds have important responsibilities in providing financial advice and in managing consumers’ funds.Keywords: knowledge, cognitive bias, trust, customer-seller relationships, financial services
Procedia PDF Downloads 3047891 Influence of Menstrual Cycle on the Pharmacokinetics of Antibiotics
Authors: Sandhyarani Guggilla
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For several reasons no two individuals can be considered identical and hence individualization of therapy is the current trend in treating the patients. Influence of menstrual cycle on the pharmacokinetics of Doxycycline. Twelve healthy female volunteers have been included in the study after obtaining written informed consent. The age ranged from 16 to 25 years. Experimental design: The volunteer selection and recruitment will be carried out after obtaining informed consent from each volunteer. The drug administration will be done to each volunteer at 7 a.m along with a glass of water after an overnight fasting on 3rd, 13th and 23rd day of menstrual cycle. These saliva samples will be stored under frozen conditions until HPLC analysis. Results: In the present study the changes in estrogen levels during ovulatory phase have not shown any influence onAUCo-t of Doxycycline. Only AUCo-t of doxycycline showed an increasing trend with increasing levels of estrogen in ovulatory phase, but not in other phases. Even though the FSH levels differed significantly among volunteers during different phases FSH does not seem to influence the overall pharmacokinetic behavior of Doxycycline during different phases. The present study indicated only the trend that the hormone levels may influence the pharmacokinetic behavior of the Doxycycline. Conclusion: In the present study the changes in hormones have shown an increasing C-max, increasing AUCo-t of Doxycycline pharmacokinetics significantly in follicular phase than ovulatory and luteal phases among volunteers during different phases. In other pharmacokinetic properties like clearance, biological half-life, volume of distribution, mean residence time the change was not significant.Keywords: menstrual cycle, doxycycline, estrogen, FSH, ovulatory phase
Procedia PDF Downloads 2717890 The Discussion on the Composition of Feng Shui by the Environmental Planning Viewpoint
Authors: Jhuang Jin-Jhong, Hsieh Wei-Fan
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Climate change causes natural disasters persistently. Therefore, nowadays environmental planning objective tends to the issues of respecting nature and coexisting with nature. As a result, the natural environment analysis, e.g., the analysis of topography, soil, hydrology, climate, vegetation, is highly emphasized. On the other hand, Feng Shui has been a criterion of site selection for residence in Eastern since the ancient times and has had farther influence on site selection for castles and even for temples and tombs. The primary criterion of site selection is judging the quality of Long: mountain range, Sha: nearby mountains, Shui: hydrology, Xue: foundation, Xiang: aspect, which are similar to the environmental variables of mountain range, topography, hydrology and aspect. For the reason, a lot researchers attempt to probe into the connection between the criterion of Feng Shui and environmental planning factors. Most researches only discussed with the composition and theory of space of Feng Shui, but there is no research which explained Feng Shui through the environmental field. Consequently, this study reviewed the theory of Feng Shui through the environmental planning viewpoint and assembled essential composition factors of Feng Shui. The results of this study point. From literature review and comparison of theoretical meanings, we find that the ideal principles for planning the Feng Shui environment can also be used for environmental planning. Therefore, this article uses 12 ideal environmental features used in Feng Shui to contrast the natural aspects of the environment and make comparisons with previous research and classifies the environmental factors into climate, topography, hydrology, vegetation, and soil.Keywords: the composition of Feng Shui, environmental planning, site selection, main components of the Feng Shui environment
Procedia PDF Downloads 5187889 Adequate Nutritional Support and Monitoring in Post-Traumatic High Output Duodenal Fistula
Authors: Richa Jaiswal, Vidisha Sharma, Amulya Rattan, Sushma Sagar, Subodh Kumar, Amit Gupta, Biplab Mishra, Maneesh Singhal
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Background: Adequate nutritional support and daily patient monitoring have an independent therapeutic role in the successful management of high output fistulae and early recovery after abdominal trauma. Case presentation: An 18-year-old girl was brought to AIIMS emergency with alleged history of fall of a heavy weight (electric motor) over abdomen. She was evaluated as per Advanced Trauma Life Support(ATLS) protocols and diagnosed to have significant abdominal trauma. After stabilization, she was referred to Trauma center. Abdomen was guarded and focused assessment with sonography for trauma(FAST) was found positive. Complete duodenojejunal(DJ) junction transection was found at laparotomy, and end-to-end repair was done. However, patient was re-explored in view of biliary peritonitis on post-operative day3, and anastomotic leak was found with sloughing of duodenal end. Resection of non-viable segments was done followed by side-to-side anastomosis. Unfortunately, the anastomosis leaked again, this time due to a post-anastomotic kink, diagnosed on dye study. Due to hostile abdomen, the patient was planned for supportive care, with plan of build-up and delayed definitive surgery. Percutaneous transheptic biliary drainage (PTBD) and STSG were required in the course as well. Nutrition: In intensive care unit (ICU), major goals of nutritional therapy were to improve wound healing, optimize nutrition, minimize enteral feed associated complications, reduce biliary fistula output, and prepare the patient for definitive surgeries. Feeding jejunostomy (FJ) was started from day 4 at the rate of 30ml/h along with total parenteral nutrition (TPN) and intra-venous (IV) micronutrients support. Due to high bile output, bile refeed started from day 13.After 23 days of ICU stay, patient was transferred to general ward with body mass index (BMI)<11kg/m2 and serum albumin –1.5gm%. Patient was received in the ward in catabolic phase with high risk of refeeding syndrome. Patient was kept on FJ bolus feed at the rate of 30–50 ml/h. After 3–4 days, while maintaining patient diet book log it was observed that patient use to refuse feed at night and started becoming less responsive with every passing day. After few minutes of conversation with the patient for a couple of days, she complained about enteral feed discharge in urine, mild pain and sign of dumping syndrome. Dye study was done, which ruled out any enterovesical fistula and conservative management were planned. At this time, decision was taken for continuous slow rate feeding through commercial feeding pump at the rate of 2–3ml/min. Drastic improvement was observed from the second day in gastro-intestinal symptoms and general condition of the patient. Nutritional composition of feed, TPN and diet ranged between 800 and 2100 kcal and 50–95 g protein. After STSG, TPN was stopped. Periodic diet counselling was given to improve oral intake. At the time of discharge, serum albumin level was 2.1g%, weight – 38.6, BMI – 15.19 kg/m2. Patient got discharge on an oral diet. Conclusion: Successful management of post-traumatic proximal high output fistulae is a challenging task, due to impaired nutrient absorption and enteral feed associated complications. Strategic- and goal-based nutrition support can salvage such critically ill patients, as demonstrated in the present case.Keywords: nutritional monitoring, nutritional support, duodenal fistula, abdominal trauma
Procedia PDF Downloads 2647888 A Constructivist Grounded Theory Study on the Impact of Automation on People and Gardening
Authors: Hamilton V. Niculescu
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Following a three year study conducted on eighteen Irish people that are involved in growing vegetables in various community gardens around Dublin, Republic of Ireland, it was revealed that addition of some automated features aimed at improving agricultural practices represented a process which was regarded as potentially beneficial, and as a great tool to closely monitor climate conditions inside the greenhouses. The participants were provided with a free custom-built mobile app through which they could remotely monitor and control features such as irrigation, air ventilation, and windows to ensure optimal growing conditions for vegetables growing inside purpose-built greenhouses. While the initial interest was generally high, within weeks, the participants' level of interaction with the enclosures slowly declined. By employing a constructivist grounded theory methodology, following focus group discussions, in-depth semi-structured interviews, and observations, it was revealed that participants' trust in newer technologies, and renewables, in particular, was low. There are various reasons for this, but because the participants in this study consist of mainly working-class people, it can be argued that lack of education and knowledge are the main barriers acting against the adoption of innovations. Consequently, it was revealed that most participants eventually decided to "set and forget" the systems in automatic working mode, indicating that the immediate effect of introducing people to assisting technologies also introduced some unintended consequences into their lifestyle. It is argued that this occurrence also indicates the fact that people initially "read" newer technologies and only adopt those features that they find useful and less intrusive in regards to their current lifestyle.Keywords: automation, communication, greenhouse, sustainable
Procedia PDF Downloads 1227887 Zebrafish Larvae Model: A High Throughput Screening Tool to Study Autism
Authors: Shubham Dwivedi, Raghavender Medishetti, Rita Rani, Aarti Sevilimedu, Pushkar Kulkarni, Yogeeswari Perumal
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Autism Spectrum Disorder (ASD) is a complex neurodevelopmental disorder of early onset, characterized by impaired sociability, cognitive function and stereotypies. There is a significant urge to develop and establish new animal models with ASD-like characteristics for better understanding of underlying mechanisms. The aim of the present study was to develop a cost and time effective zebrafish model with quantifiable parameters to facilitate mechanistic studies as well as high-throughput screening of new molecules for autism. Zebrafish embryos were treated with valproic acid and a battery of behavioral tests (anxiety, inattentive behavior, irritability and social impairment) was performed on larvae at 7th day post fertilization, followed by study of molecular markers of autism. This model shows a significant behavioural impairment in valproic acid treated larvae in comparison to control which was again supported by alteration in few marker genes and proteins of autism. The model also shows a rescue of behavioural despair with positive control drugs. The model shows robust parameters to study behavior, molecular mechanism and drug screening approach in a single frame. Thus we postulate that our 7 days zebrafish larval model for autism can help in high throughput screening of new molecules on autism.Keywords: autism, zebrafish, valproic acid, neurodevelopment, behavioral assay
Procedia PDF Downloads 1657886 Explorative Approach to the Evolving Administrative Landscape of South Africa
Authors: Z. I Jeeva
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The establishment of municipalities in South Africa has been a long and difficult process; 25 years later, it still appears to be evolving. In 1994, the new democratic government undertook to restructure the country’s racially segregated administrative structure by integrating areas to form cohesive municipal entities that would allow for the more efficient administration management of the regions. It planned to achieve this within a short seven-year period from 1993 to 2000, which was to be divided into three phases, namely, the pre-interim phase from 1994 to1995, the interim phase from 1996 to 1999, and the post-interim phase from 2000 onwards. However, the extensive integrated municipal approach was easier to pen on paper than to implement in practice. This paper seeks to explore the South African spatial reform process from 1993 to 2020, by analyzing policy documents and literature in order to determine how exactly the government attempted to achieve this. The study found that the spatial restructuring process was particularly complex since the democratic government inherited an unequal society located on a fragmented spatial landscape of which there was limited knowledge with many unresolved issues. Furthermore, the study found that there is a lack of literature on the topic from an urban planning perspective and calls for further research to ensure the formation of more efficient administrative regions.Keywords: categorization, demarcation, municipalities, racial integration, spatial reform
Procedia PDF Downloads 1127885 Health Care using Queuing Theory
Authors: S. Vadivukkarasi, K. Karthi, M. Karthick, C. Dinesh, S. Santhosh, A. Yogaraj
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The appointment system was designed to minimize patient’s idle time overlooking patients waiting time in hospitals. This is no longer valid in today’s consumer oriented society. Long waiting times for treatment in the outpatient department followed by short consultations has long been a complaint. Nowadays, customers use waiting time as a decisive factor in choosing a service provider. Queuing theory constitutes a very powerful tool because queuing models require relatively little data and are simple and fast to use. Because of this simplicity and speed, modelers can be used to quickly evaluate and compare various alternatives for providing service. The application of queuing models in the analysis of health care systems is increasingly accepted by health care decision makers. Timely access to care is a key component of high-quality health care. However, patient delays are prevalent throughout health care systems, resulting in dissatisfaction and adverse clinical consequences for patients as well as potentially higher costs and wasted capacity for providers. Arguably, the most critical delays for health care are the ones associated with health care emergencies. The allocation of resources can be divided into three general areas: bed management, staff management, and room facility management. Effective and efficient patient flow is indicated by high patient throughput, low patient waiting times, a short length of stay at the hospital and overtime, while simultaneously maintaining adequate staff utilization rates and low patient’s idle times.Keywords: appointment system, patient scheduling, bed management, queueing calculation, system analysis
Procedia PDF Downloads 3037884 An Analysis of the Impact of Government Budget Deficits on Economic Performance. A Zimbabwean Perspective
Authors: Tafadzwa Shumba, Rose C. Nyatondo, Regret Sunge
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This research analyses the impact of budget deficits on the economic performance of Zimbabwe. The study employs the autoregressive distributed lag (ARDL) confines testing method to co-integration and long-run estimation using time series data from 1980-2018. The Augmented Dick Fuller (ADF) and the Granger approach were used to testing for stationarity and causality among the factors. Co-integration test results affirm a long term association between GDP development rate and descriptive factors. Causality test results show a unidirectional connection between budget shortfall to GDP development and bi-directional causality amid debt and budget deficit. This study also found unidirectional causality from debt to GDP growth rate. ARDL estimates indicate a significantly positive long term and significantly negative short term impact of budget shortfall on GDP. This suggests that budget deficits have a short-run growth retarding effect and a long-run growth-inducing effect. The long-run results follow the Keynesian theory that posits that fiscal deficits result in an increase in GDP growth. Short-run outcomes follow the neoclassical theory. In light of these findings, the government is recommended to minimize financing of recurrent expenditure using a budget deficit. To achieve sustainable growth and development, the government needs to spend an absorbable budget deficit focusing on capital projects such as the development of human capital and infrastructure.Keywords: ARDL, budget deficit, economic performance, long run
Procedia PDF Downloads 1067883 Duality of Leagility and Governance: A New Normal Demand Network Management Paradigm under Pandemic
Authors: Jacky Hau
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The prevalence of emerging technologies disrupts various industries as well as consumer behavior. Data collection has been in the fingertip and inherited through enabled Internet-of-things (IOT) devices. Big data analytics (BDA) becomes possible and allows real-time demand network management (DNM) through leagile supply chain. To enhance further on its resilience and predictability, governance is going to be examined to promote supply chain transparency and trust in an efficient manner. Leagility combines lean thinking and agile techniques in supply chain management. It aims at reducing costs and waste, as well as maintaining responsiveness to any volatile consumer demand by means of adjusting the decoupling point where the product flow changes from push to pull. Leagility would only be successful when collaborative planning, forecasting, and replenishment (CPFR) process or alike is in place throughout the supply chain business entities. Governance and procurement of the supply chain, however, is crucial and challenging for the execution of CPFR as every entity has to walk-the-talk generously for the sake of overall benefits of supply chain performance, not to mention the complexity of exercising the polices at both of within across various supply chain business entities on account of organizational behavior and mutual trust. Empirical survey results showed that the effective timespan on demand forecasting had been drastically shortening in the magnitude of months to weeks planning horizon, thus agility shall come first and preferably following by lean approach in a timely manner.Keywords: governance, leagility, procure-to-pay, source-to-contract
Procedia PDF Downloads 1177882 A “Best Practice” Model for Physical Education in the BRICS Countries
Authors: Vasti Oelofse, Niekie van der Merwe, Dorita du Toit
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This study addresses the need for a unified best practice model for Physical Education across BRICS nations, as current research primarily offers individual country recommendations. Drawing on relevant literature within the framework of Bronfenbrenner’s Ecological Systems Theory, as well as data from open-ended questionnaires completed by Physical Education experts from the BRICS countries, , the study develops a best practice model based on identified challenges and effective practices in Physical Education. A model is proposed that incorporates flexible and resource-efficient strategies tailored to address PE challenges specific to these countries, enhancing outcomes for learners, empowering teachers, and fostering systemic collaboration among BRICS members. The proposed model comprises six key areas: “Curriculum and policy requirements”, “General approach”, “Theoretical basis”, “Strategies for presenting content”, “Teacher training”, and “Evaluation”. The “Strategies for presenting program content” area addresses both well-resourced and poorly resourced schools, adapting curriculum, teaching strategies, materials, and learner activities for varied socio-economic contexts. The model emphasizes a holistic approach to learner development, engaging environments, and continuous teacher training. A collaborative approach among BRICS countries, focusing on shared best practices and continuous improvement, is vital for the model's successful implementation, enhancing Physical Education programs and outcomes across these nations.Keywords: BRICS countries, physical education, best practice model, ecological systems theory
Procedia PDF Downloads 227881 Frictional Behavior of Glass Epoxy and Aluminium Particulate Glass Epoxy Composites Sliding against Smooth Stainless Steel Counterface
Authors: Pujan Sarkar
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Frictional behavior of glass epoxy and Al particulate glass-epoxy composites sliding against mild steel are investigated experimentally at normal atmospheric condition. Glass epoxy (0 wt% Al) and 5, 10 and 15 wt% Al particulate filled glass-epoxy composites are fabricated in conventional hand lay-up technique followed by light compression moulding process. A pin on disc type friction apparatus is used under dry sliding conditions. Experiments are carried out at a normal load of 5-50 N, and sliding speeds of 0.5-5.0 m/s for a fixed duration. Variations of friction coefficient with sliding time at different loads and speeds for all the samples are considered. Results show that the friction coefficient is influenced by sliding time, normal loads, sliding speeds, and wt% of Al content. In general, with respect to time, friction coefficient increases initially with a lot of fluctuations for a certain duration. After that, it becomes stable for the rest of the experimental time. With the increase of normal load, friction coefficient decreases at all speed levels and for all the samples whereas, friction coefficient increases with the increase of sliding speed at all normal loads for glass epoxy and 5 wt% Al content glass-epoxy composites. But for 10 and 15 wt%, Al content composites at all loads, reverse trend of friction coefficient has been recorded. Under different tribological conditions, the suitability of composites in respect of wt% of Al content is noted, and 5 wt% Al content glass-epoxy composite reports as the lowest frictional material at all loads compared to other samples.Keywords: Al powder, composite, epoxy, friction, glass fiber
Procedia PDF Downloads 1307880 Theoretical Analysis of the Existing Sheet Thickness in the Calendering of Pseudoplastic Material
Authors: Muhammad Zahid
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The mechanical process of smoothing and compressing a molten material by passing it through a number of pairs of heated rolls in order to produce a sheet of desired thickness is called calendering. The rolls that are in combination are called calenders, a term derived from kylindros the Greek word for the cylinder. It infects the finishing process used on cloth, paper, textiles, leather cloth, or plastic film and so on. It is a mechanism which is used to strengthen surface properties, minimize sheet thickness, and yield special effects such as a glaze or polish. It has a wide variety of applications in industries in the manufacturing of textile fabrics, coated fabrics, and plastic sheeting to provide the desired surface finish and texture. An analysis has been presented for the calendering of Pseudoplastic material. The lubrication approximation theory (LAT) has been used to simplify the equations of motion. For the investigation of the nature of the steady solutions that exist, we make use of the combination of exact solution and numerical methods. The expressions for the velocity profile, rate of volumetric flow and pressure gradient are found in the form of exact solutions. Furthermore, the quantities of interest by engineering point of view, such as pressure distribution, roll-separating force, and power transmitted to the fluid by the rolls are also computed. Some results are shown graphically while others are given in the tabulated form. It is found that the non-Newtonian parameter and Reynolds number serve as the controlling parameters for the calendering process.Keywords: calendering, exact solutions, lubrication approximation theory, numerical solutions, pseudoplastic material
Procedia PDF Downloads 1527879 Effect of Intrinsic Point Defects on the Structural and Optical Properties of SnO₂ Thin Films Grown by Ultrasonic Spray Pyrolysis Method
Authors: Fatiha Besahraoui, M'hamed Guezzoul, Kheira Chebbah, M'hamed Bouslama
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SnO₂ thin film is characterized by Atomic Force Microscopy (AFM) and Photoluminescence Spectroscopies. AFM images show a dense surface of columnar grains with a roughness of 78.69 nm. The PL measurements at 7 K reveal the presence of PL peaks centered in IR and visible regions. They are attributed to radiative transitions via oxygen vacancies, Sn interstitials, and dangling bonds. A bands diagram model is presented with the approximate positions of intrinsic point defect levels in SnO₂ thin films. The integrated PL measurements demonstrate the good thermal stability of our sample, which makes it very useful in optoelectronic devices functioning at room temperature. The unusual behavior of the evolution of PL peaks and their full width at half maximum as a function of temperature indicates the thermal sensitivity of the point defects present in the band gap. The shallower energy levels due to dangling bonds and/or oxygen vacancies are more sensitive to the temperature. However, volume defects like Sn interstitials are thermally stable and constitute deep and stable energy levels for excited electrons. Small redshifting of PL peaks is observed with increasing temperature. This behavior is attributed to the reduction of oxygen vacancies.Keywords: transparent conducting oxide, photoluminescence, intrinsic point defects, semiconductors, oxygen vacancies
Procedia PDF Downloads 907878 Mating Behaviour and Its Significance in Reproductive Performance of Dysdercus koenigii
Authors: Kamal Kumar Gupta
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The present research work was carried out on Dysdercus koenigii to understand various aspects of reproductive behavior such as mate finding and recognition, mate selection and mating preference, mating receptivity, and prolonged copulation. The studies carried out on mate searching and courtship behaviour of Dysdercus reflected the courtship behaviour in Dysdercus was brief. The opposite sexes are brought together by the pheromone. The males responded to female sex pheromones by showing directional movements toward the sex partners. Change in mating receptivity pattern of female Dysdercus was ascertained using three parameters of mating behaviour i.e. numbers of male’s encounter, the time taken to mate successfully and per cent females responding to mating. It was seen that a receptive female responded positively to the courting males and a high percentage of females mate usually in a very short time span. The females of Dysdercus showed continued mating receptivity throughout their life. The studies pertaining to mate selection by females showed that females generally do not discriminate among males and usually mate with any male they encountered first. The adults of Dysdercus remain in continuous copula up to 72hr. and mate 5-7 time in their life span. Studies pertaining to significance of prolonged mating in the life time reproductive success of the female Dysdercus indicated that fecundity and fertility and oviposition behavior of the female Dysdercus was related to duration of mating. In order to understand sperm precedence, the sterilized males were produced by exposing them to Gamma radiation. Our studies indicated that a dose of 50 Gy of Gamma radiations induced 95% sterility but does not impair the mating behaviour drastically. To understand role of sperms which were transfer during second mating in fertilizing the subsequent egg batches the sperm utilization pattern of doubly mated female was assessed. The females were mated with normal male or sterilized male in a combination. The sperm utilization pattern was determined by P2 value, our studies indicated a very high P2 value of 0.966, and indicated that sperms of last mating were utilized by the female for fertilization. In light of some of the unique reproductive behaviour of Dysdercus koenigii, such as brief courtship behavior, generalized mate selection by the female, continued mating receptivity and a prolonged pre oviposition period, the present studies on sperm precedence provides an explanation to an unusually prolonged copulation in Dysdercus.Keywords: dysdercus koenigii, mating behaviour, reproductive performance, entomology
Procedia PDF Downloads 3477877 Investigation of Time Pressure and Instinctive Reaction in Moral Dilemmas While Driving
Authors: Jacqueline Miller, Dongyuan Y. Wang, F. Dan Richard
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Before trying to make an ethical machine that holds a higher ethical standard than humans, a better understanding of human moral standards that could be used as a guide is crucial. How humans make decisions in dangerous driving situations like moral dilemmas can contribute to developing acceptable ethical principles for autonomous vehicles (AVs). This study uses a driving simulator to investigate whether drivers make utilitarian choices (choices that maximize lives saved and minimize harm) in unavoidable automobile accidents (moral dilemmas) with time pressure manipulated. This study also investigates how impulsiveness influences drivers’ behavior in moral dilemmas. Manipulating time pressure results in collisions that occur at varying time intervals (4 s, 5 s, 7s). Manipulating time pressure helps investigate how time pressure may influence drivers’ response behavior. Thirty-one undergraduates participated in this study using a STISM driving simulator to respond to driving moral dilemmas. The results indicated that the percentage of utilitarian choices generally increased when given more time to respond (from 4 s to 7 s). Additionally, participants in vehicle scenarios preferred responding right over responding left. Impulsiveness did not influence utilitarian choices. However, as time pressure decreased, response time increased. Findings have potential implications and applications on the regulation of driver assistance technologies and AVs.Keywords: time pressure, automobile moral dilemmas, impulsiveness, reaction time
Procedia PDF Downloads 597876 An Interactive Institutional Framework for Evolution of Enterprise Technological Innovation Capabilities System: A Complex Adaptive Systems Approach
Authors: Sohail Ahmed, Ke Xing
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This research theoretically explored the evolution mechanism of enterprise technological innovation capability system (ETICS) from the perspective of complex adaptive systems (CAS). This research proposed an analytical framework for ETICS, its concepts, and theory by integrating CAS methodology into the management of the technological innovation capability of enterprises and discusses how to use the principles of complexity to analyze the composition, evolution, and realization of the technological innovation capabilities in complex dynamic environments. This paper introduces the concept and interaction of multi-agent, the theoretical background of CAS, and summarizes the sources of technological innovation, the elements of each subject, and the main clusters of adaptive interactions and innovation activities. The concept of multi-agents is applied through the linkages of enterprises, research institutions, and government agencies with the leading enterprises in industrial settings. The study was exploratory and based on CAS theory. Theoretical model is built by considering technological and innovation literature from foundational to state of the art projects of technological enterprises. On this basis, the theoretical model is developed to measure the evolution mechanism of the enterprise's technological innovation capability system. This paper concludes that the main characteristics for evolution in technological systems are based on the enterprise’s research and development personnel, investments in technological processes, and innovation resources are responsible for the evolution of enterprise technological innovation performance. The research specifically enriched the application process of technological innovation in institutional networks related to enterprises.Keywords: complex adaptive system, echo model, enterprise technological innovation capability system, research institutions, multi-agents
Procedia PDF Downloads 1427875 Numerical Investigation of the Influence on Buckling Behaviour Due to Different Launching Bearings
Authors: Nadine Maier, Martin Mensinger, Enea Tallushi
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In general, today, two types of launching bearings are used in the construction of large steel and steel concrete composite bridges. These are sliding rockers and systems with hydraulic bearings. The advantages and disadvantages of the respective systems are under discussion. During incremental launching, the center of the webs of the superstructure is not perfectly in line with the center of the launching bearings due to unavoidable tolerances, which may have an influence on the buckling behavior of the web plates. These imperfections are not considered in the current design against plate buckling, according to DIN EN 1993-1-5. It is therefore investigated whether the design rules have to take into account any eccentricities which occur during incremental launching and also if this depends on the respective launching bearing. Therefore, at the Technical University Munich, large-scale buckling tests were carried out on longitudinally stiffened plates under biaxial stresses with the two different types of launching bearings and eccentric load introduction. Based on the experimental results, a numerical model was validated. Currently, we are evaluating different parameters for both types of launching bearings, such as load introduction length, load eccentricity, the distance between longitudinal stiffeners, the position of the rotation point of the spherical bearing, which are used within the hydraulic bearings, web, and flange thickness and imperfections. The imperfection depends on the geometry of the buckling field and whether local or global buckling occurs. This and also the size of the meshing is taken into account in the numerical calculations of the parametric study. As a geometric imperfection, the scaled first buckling mode is applied. A bilinear material curve is used so that a GMNIA analysis is performed to determine the load capacity. Stresses and displacements are evaluated in different directions, and specific stress ratios are determined at the critical points of the plate at the time of the converging load step. To evaluate the load introduction of the transverse load, the transverse stress concentration is plotted on a defined longitudinal section on the web. In the same way, the rotation of the flange is evaluated in order to show the influence of the different degrees of freedom of the launching bearings under eccentric load introduction and to be able to make an assessment for the case, which is relevant in practice. The input and the output are automatized and depend on the given parameters. Thus we are able to adapt our model to different geometric dimensions and load conditions. The programming is done with the help of APDL and a Python code. This allows us to evaluate and compare more parameters faster. Input and output errors are also avoided. It is, therefore, possible to evaluate a large spectrum of parameters in a short time, which allows a practical evaluation of different parameters for buckling behavior. This paper presents the results of the tests as well as the validation and parameterization of the numerical model and shows the first influences on the buckling behavior under eccentric and multi-axial load introduction.Keywords: buckling behavior, eccentric load introduction, incremental launching, large scale buckling tests, multi axial stress states, parametric numerical modelling
Procedia PDF Downloads 1127874 Mechanical Behavior of Recycled Mortars Manufactured from Moisture Correction Using the Halogen Light Thermogravimetric Balance as an Alternative to the Traditional ASTM C 128 Method
Authors: Diana Gomez-Cano, J. C. Ochoa-Botero, Roberto Bernal Correa, Yhan Paul Arias
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To obtain high mechanical performance, the fresh conditions of a mortar are decisive. Measuring the absorption of aggregates used in mortar mixes is a fundamental requirement for proper design of the mixes prior to their placement in construction sites. In this sense, absorption is a determining factor in the design of a mix because it conditions the amount of water, which in turn affects the water/cement ratio and the final porosity of the mortar. Thus, this work focuses on the mechanical behavior of recycled mortars manufactured from moisture correction using the Thermogravimetric Balancing Halogen Light (TBHL) technique in comparison with the traditional ASTM C 128 International Standard method. The advantages of using the TBHL technique are favorable in terms of reduced consumption of resources such as materials, energy, and time. The results show that in contrast to the ASTM C 128 method, the TBHL alternative technique allows obtaining a higher precision in the absorption values of recycled aggregates, which is reflected not only in a more efficient process in terms of sustainability in the characterization of construction materials but also in an effect on the mechanical performance of recycled mortars.Keywords: alternative raw materials, halogen light, recycled mortar, resources optimization, water absorption
Procedia PDF Downloads 1187873 The Trauma Suffered by Left behind Children and Its Impact on Their Emotional Development: A Pilot Study with Brazilian Immigrants in the United States
Authors: Liliane Clark
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Immigrating to a different country may imply having to handle many difficult exertions. There is a particular issue that has to be endured by some immigrants: the children they had to leave behind. It is a phenomenon that occurs with certain frequency. Surprisingly, despite the fact that immigration in the United States is such a large proceeding, there is not much research about the topic in America exploring the trauma of the abandonment caused by this separation and its consequences on the mental health of those children. The term “left behind children” is usually applied to children who were left behind by their parents in their original nation under the care of a noteworthy relative, frequently the grandparents, when they moved to another country. This preliminary research, which is a partial study projected for a doctoral thesis, investigated whether the trauma of abandonment experienced by ten left behind children had affected their emotional development. The Strengths and Difficulties Questionnaire (SDQ) and a brief interview were utilized to assess the information. The SDQ explored scales such as emotional symptoms, conduct problems, hyperactivity, peer problems and prosocial behavior. In this pilot study, the results indicated that all these issues had some sort of significant correlation between them. During the interviews, the participants or their parents identified a range of symptoms: anxiety disorder, eating disorders, panic attacks, psychotic-like experiences, drug use and depression. Hence, it seems that there is a connection between the trauma of abandonment suffered due to the separation and the children’s consequent symptomatic behavior. Further studies are indeed necessary to validate the initial results of this investigation.Keywords: abandonment, parent migration, psychological problems, trauma
Procedia PDF Downloads 1937872 A Study of School Meals: How Cafeteria Culture Shapes the Eating Habits of Students
Authors: Jillian Correia, Ali Sakkal
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Lunchtime can play a pivotal role in shaping student eating habits. Studies have previously indicated that eating a healthy meal during the school day can improve students’ well-being and academic performance, and potentially prevent childhood obesity. This study investigated the school lunch program in the United Kingdom in order to gain an understanding of the attitudes and beliefs surrounding school meals and the realities of student food patterns. Using a qualitative research methodology, this study was conducted in three primary and secondary school systems in London, United Kingdom. In depth interviews consisting of 14 headteachers, teachers, staff, and chefs and fieldwork observations of approximately 830 primary and secondary school students in the three schools’ cafeterias provided the data. The results of interview responses and fieldwork observation yielded the following set of themes: (a) school meals are publicly portrayed as healthful and nutritious, yet students’ eating habits do not align with this advertising, (b) the level of importance placed on school lunch varies widely among participants and generates inconsistent views concerning who is responsible (government, families, caterers, or schools) for students’ eating habits, (c) role models (i.e. teachers and chefs) present varying levels of interaction with students and conflicting approaches when monitoring students’ eating habits. The latter finding expanded upon Osowski, Göranzon, and Fjellström’s (2013) concept of teacher roles to formulate three education philosophies – the Removed Authority Role Model, the Accommodating Role Model, and the Social Educational Role Model – concluding that the Social Educational Role Model was the most effective at fostering an environment that encouraged healthy eating habits and positive behavior. For schools looking to cultivate strong relationships between students and teachers and facilitate healthier eating habits, these findings were used to construct three key recommendations: (1) elevate the lunch environment by encouraging proper dining etiquette, (2) get teachers eating at the table with students, and (3) shift the focus from monitoring behavior to a teacher-student dialogue centered on food awareness.Keywords: food culture, eating habits, school meals, student behavior, education, food patterns, lunchtime
Procedia PDF Downloads 2697871 Application of Metaverse Service to Construct Nursing Education Theory and Platform in the Post-pandemic Era
Authors: Chen-Jung Chen, Yi-Chang Chen
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While traditional virtual reality and augmented reality only allow for small movement learning and cannot provide a truly immersive teaching experience to give it the illusion of movement, the new technology of both content creation and immersive interactive simulation of the metaverse can just reach infinite close to the natural teaching situation. However, the mixed reality virtual classroom of metaverse has not yet explored its theory, and it is rarely implemented in the situational simulation teaching of nursing education. Therefore, in the first year, the study will intend to use grounded theory and case study methods and in-depth interviews with nursing education and information experts. Analyze the interview data to investigate the uniqueness of metaverse development. The proposed analysis will lead to alternative theories and methods for the development of nursing education. In the second year, it will plan to integrate the metaverse virtual situation simulation technology into the alternate teaching strategy in the pediatric nursing technology course and explore the nursing students' use of this teaching method as the construction of personal technology and experience. By leveraging the unique features of distinct teaching platforms and developing processes to deliver alternative teaching strategies in a nursing technology teaching environment. The aim is to increase learning achievements without compromising teaching quality and teacher-student relationships in the post-pandemic era. A descriptive and convergent mixed methods design will be employed. Sixty third-grade nursing students will be recruited to participate in the research and complete the pre-test. The students in the experimental group (N=30) agreed to participate in 4 real-time mixed virtual situation simulation courses in self-practice after class and conducted qualitative interviews after each 2 virtual situation courses; the control group (N=30) adopted traditional practice methods of self-learning after class. Both groups of students took a post-test after the course. Data analysis will adopt descriptive statistics, paired t-tests, one-way analysis of variance, and qualitative content analysis. This study addresses key issues in the virtual reality environment for teaching and learning within the metaverse, providing valuable lessons and insights for enhancing the quality of education. The findings of this study are expected to contribute useful information for the future development of digital teaching and learning in nursing and other practice-based disciplines.Keywords: metaverse, post-pandemic era, online virtual classroom, immersive teaching
Procedia PDF Downloads 757870 Techno-Economic Comparative Analysis of Grid Connected Solar Photovoltaic (PV) to Solar Concentrated Solar Power (CSP) for Developing Countries: A Case Study of Kenya and Zimbabwe
Authors: Kathy Mwende Kiema, Remember Samu, Murat Fahrioglu
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The potential of power generation from solar resources has been established as being robust in sub Saharan Africa. Consequently many governments in the region have encouraged the exploitation of this resource through, inter alia direct funding, subsidies and legislation (such as feed in tariffs). Through a case study of Kenya and Zimbabwe it is illustrated that a good deal of proposed grid connected solar power projects and related feed in tariffs have failed to take into account key economic and technical considerations in the selection of solar technologies to be implemented. This paper therefore presents a comparison between concentrated solar power (CSP) and solar photovoltaic (PV) to assess which technology is better suited to meet the energy demand for a given set of prevailing conditions. The evaluation criteria employed is levelized cost of electricity (LCOE), net present value (NPV) and plant capacity factor. The outcome is therefore a guide to aid policy makers and project developers in choosing between CSP and PV given certain solar irradiance values, planned nominal plant capacity, availability of water resource and a consideration of whether or not the power plant is intended to compete with existing technologies, primarily fossil fuel powered, in meeting the peak load.load.Keywords: capacity factor, peak load, solar PV, solar CSP
Procedia PDF Downloads 2897869 Organizational Culture and Its Internalization of Change in the Manufacturing and Service Sector Industries in India
Authors: Rashmi Uchil, A. H. Sequeira
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Post-liberalization era in India has seen an unprecedented growth of mergers, both domestic as well as cross-border deals. Indian organizations have slowly begun appreciating this inorganic method of growth. However, all is not well as is evidenced in the lowering value creation of organizations after mergers. Several studies have identified that organizational culture is one of the key factors that affects the success of mergers. But very few studies have been attempted in this realm in India. The current study attempts to identify the factors in the organizational culture variable that may be unique to India. It also focuses on the difference in the impact of organizational culture on merger of organizations in the manufacturing and service sectors in India. The study uses a mixed research approach. An exploratory research approach is adopted to identify the variables that constitute organizational culture specifically in the Indian scenario. A few hypotheses were developed from the identified variables and tested to arrive at the Grounded Theory. The Grounded Theory approach used in the study, attempts to integrate the variables related to organizational culture. Descriptive approach is used to validate the developed grounded theory with a new empirical data set and thus test the relationship between the organizational culture variables and the success of mergers. Empirical data is captured from merged organizations situated in major cities of India. These organizations represent significant proportions of the total number of organizations which have adopted mergers. The mix of industries included software, banking, manufacturing, pharmaceutical and financial services. Mixed sampling approach was adopted for this study. The first phase of sampling was conducted using the probability method of stratified random sampling. The study further used the non-probability method of judgmental sampling. Adequate sample size was identified for the study which represents the top, middle and junior management levels of the organizations that had adopted mergers. Validity and reliability of the research instrument was ensured with appropriate tests. Statistical tools like regression analysis, correlation analysis and factor analysis were used for data analysis. The results of the study revealed a strong relationship between organizational culture and its impact on the success of mergers. The study also revealed that the results were unique to the extent that they highlighted a marked difference in the manner of internalization of change of organizational culture after merger by the organizations in the manufacturing sector. Further, the study reveals that the organizations in the service sector internalized the changes at a slower rate. The study also portrays the industries in the manufacturing sector as more proactive and can contribute to a change in the perception of the said organizations.Keywords: manufacturing industries, mergers, organizational culture, service industries
Procedia PDF Downloads 3017868 Averting a Financial Crisis through Regulation, Including Legislation
Authors: Maria Krambia-Kapardis, Andreas Kapardis
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The paper discusses regulatory and legislative measures implemented by various nations in an effort to avert another financial crisis. More specifically, to address the financial crisis, the European Commission followed the practice of other developed countries and implemented a European Economic Recovery Plan in an attempt to overhaul the regulatory and supervisory framework of the financial sector. In 2010 the Commission introduced the European Systemic Risk Board and in 2011 the European System of Financial Supervision. Some experts advocated that the type and extent of financial regulation introduced in the European crisis in the wake of the 2008 crisis has been excessive and counterproductive. In considering how different countries responded to the financial crisis, global regulators have shown a more focused commitment to combat industry misconduct and to pre-empt abusive behavior. Regulators have also increased funding and resources at their disposal; have increased regulatory fines, with an increasing trend towards action against individuals; and, finally, have focused on market abuse and market conduct issues. Financial regulation can be effected, first of all, through legislation. However, neither ex ante or ex post regulation is by itself effective in reducing systemic risk. Consequently, to avert a financial crisis, in their endeavor to achieve both economic efficiency and financial stability, governments need to balance the two approaches to financial regulation. Fiduciary duty is another means by which the behavior of actors in the financial world is constrained and, thus, regulated. Furthermore, fiduciary duties extend over and above other existing requirements set out by statute and/or common law and cover allegations of breach of fiduciary duty, negligence or fraud. Careful analysis of the etiology of the 2008 financial crisis demonstrates the great importance of corporate governance as a way of regulating boardroom behavior. In addition, the regulation of professions including accountants and auditors plays a crucial role as far as the financial management of companies is concerned. In the US, the Sarbanes-Oxley Act of 2002 established the Public Company Accounting Oversight Board in order to protect investors from financial accounting fraud. In most countries around the world, however, accounting regulation consists of a legal framework, international standards, education, and licensure. Accounting regulation is necessary because of the information asymmetry and the conflict of interest that exists between managers and users of financial information. If a holistic approach is to be taken then one cannot ignore the regulation of legislators themselves which can take the form of hard or soft legislation. The science of averting a financial crisis is yet to be perfected and this, as shown by the preceding discussion, is unlikely to be achieved in the foreseeable future as ‘disaster myopia’ may be reduced but will not be eliminated. It is easier, of course, to be wise in hindsight and regulating unreasonably risky decisions and unethical or outright criminal behavior in the financial world remains major challenges for governments, corporations, and professions alike.Keywords: financial crisis, legislation, regulation, financial regulation
Procedia PDF Downloads 4047867 Social Media Diffusion And Implications For Opinion Leadership In Northcentral Nigeria
Authors: Chuks Odiegwu-Enwerem
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The classical notion of opinion leadership presupposes that the media is at the center of an effective and successful opinion leadership. Under this idea, an opinion leader is an active media user who consumes, understands, digests and interprets the messages for the understanding and acceptance/adoption by lower-end media users – whose access and understanding of media content are supposedly low. Because of their unique access to and presumed understanding of media functions and their content, opinion leaders are typically esteemed by those who look forward to and accept their opinions. Lazarsfeld and Katz’s two-step flow of communication theory is the basis of opinion leadership – propelled by limited access to the media. With the emergence and spread of social media and its unlimited access by all and sundry, however, the study interrogates the relevance and application of opinion leaders and, by implication, the two-step flow communication theory in Nigeria’s Northcentral region. It seeks to determine whether opinion leaders still exist in the picture and if they still exert considerable influence, especially in matters of political conversations and decision-making among the citizens of this area. It further explores whether the diffusion of social media is a reality and how the ‘low-end’ media users react to the new-found freedom of access to media, and how they are using it to inform their decisions on important matters as well as examines if they are still glued to their opinion leaders. This study explores the empirical dimensions of the two-step flow hypothesis in relation to the activities of social media to determine if a change has occurred and in what direction, using mixed methos of Survey and in-depth interviews. Our understanding and belief in some theoretical assumptions may be enhanced or challenged by the study outcome.Keywords: Opinion Leadership, Active Media User, Two-Step-Flow, Social media, Northcentral Nigeria
Procedia PDF Downloads 767866 Appropriation of Cryptocurrencies as a Payment Method by South African Retailers
Authors: Neliswa Dyosi
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Purpose - Using an integrated Technology-Organization-Environment (TOE) framework and the model of technology appropriation (MTA) as a theoretical lens, this interpretive qualitative study seeks to understand and explain the factors that influence the appropriation, non-appropriation, and disappropriation of bitcoin as a payment method by South African retailers. Design/methodology/approach –The study adopts the interpretivist philosophical paradigm. Multiple case studies will be adopted as a research strategy. For data collection, the study follows a qualitative approach. Qualitative data will be collected from the six retailers in various industries. Semi-structured interviews and documents will be used as the data collection techniques. Purposive and snowballing sampling techniques will be used to identify participants within the organizations. Data will be analyzed using thematic analysis. Originality/value - Using the deduction approach, the study seeks to provide a descriptive and explanatory contribution to theory. The study contributes to theory development by integrating the MTA and TOE frameworks as a means to understand technology adoption behaviors of organizations, in this case, retailers. This is also the first study that looks at an integrated approach of the Technology-Organization-Environment (TOE) framework and the MTA framework to understand the adoption and use of a payment method. South Africa is ranked amongst the top ten countries in the world on cryptocurrency adoption. There is, however, still a dearth of literature on the current state of adoption and usage of bitcoin as a payment method in South Africa. The study will contribute to the existing literature as bitcoin cryptocurrency is gaining popularity as an alternative payment method across the globe.Keywords: cryptocurrency, bitcoin, payment methods, blockchain, appropriation, online retailers, TOE framework, disappropriation, non-appropriation
Procedia PDF Downloads 1417865 Theoretical Study of Gas Adsorption in Zirconium Clusters
Authors: Rasha Al-Saedi, Anthony Meijer
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The progress of new porous materials has increased rapidly over the past decade for use in applications such as catalysis, gas storage and removal of environmentally unfriendly species due to their high surface area and high thermal stability. In this work, a theoretical study of the zirconium-based metal organic framework (MOFs) were examined in order to determine their potential for gas adsorption of various guest molecules: CO2, N2, CH4 and H2. The zirconium cluster consists of an inner Zr6O4(OH)4 core in which the triangular faces of the Zr6- octahedron are alternatively capped by O and OH groups which bound to nine formate groups and three benzoate groups linkers. General formula is [Zr(μ-O)4(μ-OH)4(HCOO)9((phyO2C)3X))] where X= CH2OH, CH2NH2, CH2CONH2, n(NH2); (n = 1-3). Three types of adsorption sites on the Zr metal center have been studied, named according to capped chemical groups as the ‘−O site’; the H of (μ-OH) site removed and added to (μ-O) site, ‘–OH site’; (μ-OH) site removed, the ‘void site’ where H2O molecule removed; (μ-OH) from one site and H from other (μ-OH) site, in addition to no defect versions. A series of investigations have been performed aiming to address this important issue. First, density functional theory DFT-B3LYP method with 6-311G(d,p) basis set was employed using Gaussian 09 package in order to evaluate the gas adsorption performance of missing-linker defects in zirconium cluster. Next, study the gas adsorption behaviour on different functionalised zirconium clusters. Those functional groups as mentioned above include: amines, alcohol, amide, in comparison with non-substitution clusters. Then, dispersion-corrected density functional theory (DFT-D) calculations were performed to further understand the enhanced gas binding on zirconium clusters. Finally, study the water effect on CO2 and N2 adsorption. The small functionalized Zr clusters were found to result in good CO2 adsorption over N2, CH4, and H2 due to the quadrupole moment of CO2 while N2, CH4 and H2 weakly polar or non-polar. The adsorption efficiency was determined using the dispersion method where the adsorption binding improved as most of the interactions, for example, van der Waals interactions are missing with the conventional DFT method. The calculated gas binding strengths on the no defect site are higher than those on the −O site, −OH site and the void site, this difference is especially notable for CO2. It has been stated that the enhanced affinity of CO2 of no defect versions is most likely due to the electrostatic interactions between the negatively charged O of CO2 and the positively charged H of (μ-OH) metal site. The uptake of the gas molecule does not enhance in presence of water as the latter binds to Zr clusters more strongly than gas species which attributed to the competition on adsorption sites.Keywords: density functional theory, gas adsorption, metal- organic frameworks, molecular simulation, porous materials, theoretical chemistry
Procedia PDF Downloads 187