Search results for: constructive quantum field theory
9809 The Effect of Female Access to Healthcare and Educational Attainment on Nigerian Agricultural Productivity Level
Authors: Esther M. Folarin, Evans Osabuohien, Ademola Onabote
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Agriculture constitutes an important part of development and poverty mitigation in lower-middle-income countries, like Nigeria. The level of agricultural productivity in the Nigerian economy in line with the level of demand necessary to meet the desired expectation of the Nigerian populace is threatening to meeting the standard of the United Nations (UN) Sustainable Development Goals (SDGs); This includes the SDG-2 (achieve food security through agricultural productivity). The overall objective of the study is to reveal the performance of the interaction variable in the model among other factors that help in the achievement of greater Nigerian agricultural productivity. The study makes use of Wave 4 (2018/2019) of the Living Standard Measurement Studies, Integrated Survey on Agriculture (LSMS-ISA). Qualitative analysis of the information was also used to provide complimentary answers to the quantitative analysis done in the study. The study employed human capital theory and Grossman’s theory of health Demand in explaining the relationships that exist between the variables within the model of the study. The study engages the Instrumental Variable Regression technique in achieving the broad objectives among other techniques for the other specific objectives. The estimation results show that there exists a positive relationship between female healthcare and the level of female agricultural productivity in Nigeria. In conclusion, the study emphasises the need for more provision and empowerment for greater female access to healthcare and educational attainment levels that aids higher female agricultural productivity and consequently an improvement in the total agricultural productivity of the Nigerian economy.Keywords: agricultural productivity, education, female, healthcare, investment
Procedia PDF Downloads 879808 Photophysics and Torsional Dynamics of Thioflavin T in Deep Eutectic Solvents
Authors: Rajesh Kumar Gautam, Debabrata Seth
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Thioflavin-T (ThT) play a key role of an important biologically active fluorescent sensor for amyloid fibrils. ThT molecule has been developed a method to detect the analysis of different type of diseases such as neurodegenerative disorders, Alzheimer’s, Parkinson’s, and type II diabetes. ThT was used as a fluorescent marker to detect the formation of amyloid fibril. In the presence of amyloid fibril, ThT becomes highly fluorescent. ThT undergoes twisting motion around C-C bonds of the two adjacent benzothiazole and dimethylaniline aromatic rings, which is predominantly affected by the micro-viscosity of the local environment. The present study articulates photophysics and torsional dynamics of biologically active molecule ThT in the presence of deep-eutectic solvents (DESs). DESs are environment-friendly, low cost and biodegradable alternatives to the ionic liquids. DES resembles ionic liquids, but the constituents of a DES include a hydrogen bond donor and acceptor species, in addition to ions. Due to the presence of the H-bonding network within a DES, it exhibits structural heterogeneity. Herein, we have prepared two different DESs by mixing urea with choline chloride and N, N-diethyl ethanol ammonium chloride at ~ 340 K. It was reported that deep eutectic mixture of choline chloride with urea gave a liquid with a freezing point of 12°C. We have experimented by taking two different concentrations of ThT. It was observed that at higher concentration of ThT (50 µM) it forms aggregates in DES. The photophysics of ThT as a function of temperature have been explored by using steady-state, and picoseconds time-resolved fluorescence emission spectroscopic techniques. From the spectroscopic analysis, we have observed that with rising temperature the fluorescence quantum yields and lifetime values of ThT molecule gradually decreases; this is the cumulative effect of thermal quenching and increase in the rate of the torsional rate constant. The fluorescence quantum yield and fluorescence lifetime decay values were always higher for DES-II (urea & N, N-diethyl ethanol ammonium chloride) than those for DES-I (urea & choline chloride). This was mainly due to the presence of structural heterogeneity of the medium. This was further confirmed by comparison with the activation energy of viscous flow with the activation energy of non-radiative decay. ThT molecule in less viscous media undergoes a very fast twisting process and leads to deactivation from the photoexcited state. In this system, the torsional motion increases with increasing temperature. We have concluded that beside bulk viscosity of the media, structural heterogeneity of the medium play crucial role to guide the photophysics of ThT in DESs. The analysis of the experimental data was carried out in the temperature range 288 ≤ T = 333K. The present articulate is to obtain an insight into the DESs as media for studying various photophysical processes of amyloid fibrils sensing molecule of ThT.Keywords: deep eutectic solvent, photophysics, Thioflavin T, the torsional rate constant
Procedia PDF Downloads 1669807 India’s Emigration Act: Its Emergence and Changes
Authors: Sudhaveni Naresh
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Emigration is not a new phenomenon in India but globalization has reinforced it. India has been a source of emigrants for many countries for a long period. Over 25 million Indian diaspora is spread across the world. Historically, during the British rule indenture labour from India was sent to other colonies. To regulate indentured emigration and to provide a mechanism for emigration, the British India government enacted Emigration Act, 1922. After independence, a majority of unskilled and semi-skilled labour emigrated to Gulf and South-East Asia, whereas white-collar workers preferred North America, Europe and Australia. They are contributing to both the economies in origin and destination. Due to increasing quantum of emigration, the Ministry of Labour enacted Emigration Act, 1983, which deals with the emigration of Indian workers for overseas employment on contractual basis, seeks to safeguard emigrants’ interest and ensures their welfare. The paper explains the reason behind enacting Emigration Act, 1983, and the changes in the form of an Emigration (Amendment) Rules, 2009. This paper examines the current status, effectiveness of the Act and rules.Keywords: economic growth, emigrants, Emigration Act 1983, remittance
Procedia PDF Downloads 3419806 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 1229805 A New Approach to Achieve the Regime Equations in Sand-Bed Rivers
Authors: Farhad Imanshoar
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The regime or equilibrium geometry of alluvial rivers remains a topic of fundamental scientific and engineering interest. There are several approaches to analyze the problem, namely: empirical formulas, semi-theoretical methods and rational (extreme) procedures. However, none of them is widely accepted at present, due to lack of knowledge of some physical processes associated with channel formation and the simplification hypotheses imposed in order to reduce the high quantity of involved variables. The study presented in this paper shows a new approach to estimate stable width and depth of sand-bed rivers by using developed stream power equation (DSPE). At first, a new procedure based on theoretical analysis and by considering DSPE and ultimate sediment concentration were developed. Then, experimental data for regime condition in sand-bed rivers (flow depth, flow width, sediment feed rate for several cases) were gathered. Finally, the results of this research (regime equations) are compared with the field data and other regime equations. A good agreement was observed between the field data and the values resulted from developed regime equation.Keywords: regime equations, developed stream power equation, sand-bed rivers, semi-theoretical methods
Procedia PDF Downloads 2719804 An Efficient and Low Cost Protocol for Rapid and Mass in vitro Propagation of Hyssopus officinalis L.
Authors: Ira V. Stancheva, Ely G. Zayova, Maria P. Geneva, Marieta G. Hristozkova, Lyudmila I. Dimitrova, Maria I. Petrova
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The study describes a highly efficient and low-cost protocol for rapid and mass in vitro propagation of medicinal and aromatic plant species (Hyssopus officinalis L., Lamiaceae). Hyssop is an important aromatic herb used for its medicinal values because of its antioxidant, anti-inflammatory and antimicrobial properties. The protocol for large-scale multiplication of this aromatic plant was developed using young stem tips explants. The explants were sterilized with 0.04% mercuric chloride (HgCl₂) solution for 20 minutes and washing three times with sterile distilled water in 15 minutes. The cultural media was full and half strength Murashige and Skoog medium containing indole-3-butyric acid. Full and ½ Murashige and Skoog media without auxin were used as controls. For each variant 20 glass tubes with two plants were used. In each tube two tip and nodal explants were inoculated. Maximum shoot and root number were obtained on ½ Murashige and Skoog medium supplemented with 0.1 mg L-1 indole-3-butyric acid at the same time after four weeks of culture. The number of shoots per explant and shoot height were considered. The data on rooting percentage, the number of roots per plant and root length were collected after the same cultural period. The highest percentage of survival 85% for this medicinal plant was recorded in mixture of soil, sand and perlite (2:1:1 v/v/v). This mixture was most suitable for acclimatization of all propagated plants. Ex vitro acclimatization was carried out at 24±1 °C and 70% relative humidity under 16 h illuminations (50 μmol m⁻²s⁻¹). After adaptation period, the all plants were transferred to the field. The plants flowered within three months after transplantation. Phenotypic variations in the acclimatized plants were not observed. An average of 90% of the acclimatized plants survived after transferring into the field. All the in vitro propagated plants displayed normal development under the field conditions. Developed in vitro techniques could provide a promising alternative tool for large-scale propagation that increases the number of homologous plants for field cultivation. Acknowledgments: This study was conducted with financial support from National Science Fund at the Bulgarian Ministry of Education and Science, Project DN06/7 17.12.16.Keywords: Hyssopus officinalis L., in vitro culture, micro propagation, acclimatization
Procedia PDF Downloads 3139803 Advanced Study on Hydrogen Evolution Reaction based on Nickel sulfide Catalyst
Authors: Kishor Kumar Sadasivuni, Mizaj Shabil Sha, Assim Alajali, Godlaveeti Sreenivasa Kumar, Aboubakr M. Abdullah, Bijandra Kumar, Mithra Geetha
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A potential pathway for efficient hydrogen production from water splitting electrolysis involves catalysis or electrocatalysis, which plays a crucial role in energy conversion and storage. Hydrogen generated by electrocatalytic water splitting requires active, stable, and low-cost catalysts or electrocatalysts to be developed for practical applications. In this study, we evaluated combination of 2D materials of NiS nanoparticle catalysts for hydrogen evolution reactions. The photocatalytic H₂ production rate of this nanoparticle is high and exceeds that obtained on components alone. Nanoparticles serve as electron collectors and transporters, which explains this improvement. Moreover, a current density was recorded at reduced working potential by 0.393 mA. Calculations based on density functional theory indicate that the nanoparticle's hydrogen evolution reaction catalytic activity is caused by strong interaction between its components at the interface. The samples were analyzed by XPS and morphologically by FESEM for the best outcome, depending on their structural shapes. Use XPS and morphologically by FESEM for the best results. This nanocomposite demonstrated higher electro-catalytic activity, and a low tafel slope of 60 mV/dec. Additionally, despite 1000 cycles into a durability test, the electrocatalyst still displays excellent stability with minimal current loss. The produced catalyst has shown considerable potential for use in the evolution of hydrogen due to its robust synthesis. According to these findings, the combination of 2D materials of nickel sulfide sample functions as good electocatalyst for H₂ evolution. Additionally, the research being done in this fascinating field will surely push nickel sulfide-based technology closer to becoming an industrial reality and revolutionize existing energy issues in a sustainable and clean manner.Keywords: electrochemical hydrogenation, nickel sulfide, electrocatalysts, energy conversion, catalyst
Procedia PDF Downloads 1319802 The Impact of the Constitution of Myanmar on the Political Power of Aung San Suu Kyi and the Rohingya Conflict
Authors: Nur R. Daut
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The objective of this paper is to offer an insight on how political power inequality has contributed and exacerbated the political violence towards the Rohingya ethnic group in Myanmar. In particular, this paper attempts to illustrate how power inequality in the country has prevented Myanmar’s leader Aung San Suu Kyi from taking effective measures on the issue. The research centers on the question of why Aung San Suu Kyi has been seen as not doing enough to stop the persecution of the Rohingya ethnic group ever since she was appointed the State Counsellor to the Myanmar government. As a Nobel Peace Prize laureate, Suu Kyi’s lack of action on the matter has come under severe criticism by the international community. Many have seen this as Suu Kyi’s failure to establish democracy and allowing mass killing to spread in the country. The real question that many perhaps should be asking, however, is how much power Suu Kyi actually holds within the government which is still heavily controlled by the military or Tatmadaw. This paper argues that Suu Kyi’s role within the government is limited which hinders constructive and effective measures to be taken on the Rohingya issue. Political power in this research is being measured by 3 factors: control over events such as burning of Rohingya villages, control over resources such as land ownership and media and control over actors such the Tatmadaw, police force and civil society who are greatly needed to ease and resolve the conflict. In order to illustrate which individuals or institution have control over all the 3 above factors, this paper will first study the constitution of Myanmar. The constitution will also be able to show the asymmetrical power relations as it will provide evidence as to how much political power Suu Kyi holds within the government in comparison to other political actors and institutions. Suu Kyi’s role as a state counsellor akin to a prime minister is a newly created position as the current constitution of Myanmar bars anyone with a foreign spouse from holding the post of a president in the country. This is already an indication of the inequality of political power between Suu Kyi and the military. Apart from studying the constitution of Myanmar, Suu Kyi’s speeches and various interviews are also studied in order to answer the research question. Unfortunately, Suu Kyi’s limited political power also involves the Buddhist monks in Myanmar who have held significant influence throughout the history of the country. This factor further prevents Suu Kyi from preserving the sanctity of human rights in Myanmar.Keywords: Aung San Suu Kyi, constitution of Myanmar, inequality, political power, political violence, Rohingya, Tatmadaw
Procedia PDF Downloads 1199801 Analysis of Metamaterial Permeability on the Performance of Loosely Coupled Coils
Authors: Icaro V. Soares, Guilherme L. F. Brandao, Ursula D. C. Resende, Glaucio L. Siqueira
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Electrical energy can be wirelessly transmitted through resonant coupled coils that operate in the near-field region. Once in this region, the field has evanescent character, the efficiency of Resonant Wireless Power Transfer (RWPT) systems decreases proportionally with the inverse cube of distance between the transmitter and receiver coils. The commercially available RWPT systems are restricted to short and mid-range applications in which the distance between coils is lesser or equal to the coil size. An alternative to overcome this limitation is applying metamaterial structures to enhance the coupling between coils, thus reducing the field decay along the distance between them. Metamaterials can be conceived as composite materials with periodic or non-periodic structure whose unconventional electromagnetic behaviour is due to its unit cell disposition and chemical composition. This new kind of material has been used in frequency selective surfaces, invisibility cloaks, leaky-wave antennas, among other applications. However, for RWPT it is mainly applied as superlenses which are lenses that can overcome the optical limitation and are made of left-handed media, that is, a medium with negative magnetic permeability and electric permittivity. As RWPT systems usually operate at wavelengths of hundreds of meters, the metamaterial unit cell size is much smaller than the wavelength. In this case, electric and magnetic field are decoupled, therefore the double negative condition for superlenses are not required and the negative magnetic permeability is enough to produce an artificial magnetic medium. In this work, the influence of the magnetic permeability of a metamaterial slab inserted between two loosely coupled coils is studied in order to find the condition that leads to the maximum transmission efficiency. The metamaterial used is formed by a subwavelength unit cell that consist of a capacitor-loaded split ring with an inner spiral that is designed and optimized using the software Computer Simulation Technology. The unit cell permeability is experimentally characterized by the ratio of the transmission parameters between coils measured with and without the presence of the metamaterial slab. Early measurements results show that the transmission coefficient at the resonant frequency after the inclusion of the metamaterial is about three times higher than with just the two coils, which confirms the enhancement that this structure brings to RWPT systems.Keywords: electromagnetic lens, loosely coupled coils, magnetic permeability, metamaterials, resonant wireless power transfer, subwavelength unit cells
Procedia PDF Downloads 1489800 Conceptual Model for Knowledge Sharing Model in Creating Idea for Mobile Application
Authors: Hanafizan Hussain
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This study shows that several projects will be conducted at the workshop in which using the conceptual model for knowledge sharing approach to create an idea for mobile application. The sharing idea has been done through the collaborative activity in which a group of different field sought to define the mobile application which will lead to new media approach of using social media platform. The collaborative activity will be provided and implemented in the form of one day workshop to determine the approach towards the theme given. The activity later will be continued for four weeks for the participant to prepare for the pitch day workshop. This paper shows the pitch of idea including the interface and prototype for the said products. The collaboration between the members with different field of study shows that social media influenced the knowledge sharing model and its creation or innovations. One of the projects supported a collaborative activity in which a group of young designers sought to define the knowledge sharing model of their ability in creating idea for mobile applications.Keywords: mobile application, collaborative activity, conceptual knowledge sharing model, social media platform
Procedia PDF Downloads 1449799 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 3039798 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 1069797 Arabic Lexicon Learning to Analyze Sentiment in Microblogs
Authors: Mahmoud B. Rokaya
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The study of opinion mining and sentiment analysis includes analysis of opinions, sentiments, evaluations, attitudes, and emotions. The rapid growth of social media, social networks, reviews, forum discussions, microblogs, and Twitter, leads to a parallel growth in the field of sentiment analysis. The field of sentiment analysis tries to develop effective tools to make it possible to capture the trends of people. There are two approaches in the field, lexicon-based and corpus-based methods. A lexicon-based method uses a sentiment lexicon which includes sentiment words and phrases with assigned numeric scores. These scores reveal if sentiment phrases are positive or negative, their intensity, and/or their emotional orientations. Creation of manual lexicons is hard. This brings the need for adaptive automated methods for generating a lexicon. The proposed method generates dynamic lexicons based on the corpus and then classifies text using these lexicons. In the proposed method, different approaches are combined to generate lexicons from text. The proposed method classifies the tweets into 5 classes instead of +ve or –ve classes. The sentiment classification problem is written as an optimization problem, finding optimum sentiment lexicons are the goal of the optimization process. The solution was produced based on mathematical programming approaches to find the best lexicon to classify texts. A genetic algorithm was written to find the optimal lexicon. Then, extraction of a meta-level feature was done based on the optimal lexicon. The experiments were conducted on several datasets. Results, in terms of accuracy, recall and F measure, outperformed the state-of-the-art methods proposed in the literature in some of the datasets. A better understanding of the Arabic language and culture of Arab Twitter users and sentiment orientation of words in different contexts can be achieved based on the sentiment lexicons proposed by the algorithm.Keywords: social media, Twitter sentiment, sentiment analysis, lexicon, genetic algorithm, evolutionary computation
Procedia PDF Downloads 1919796 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 209795 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 1529794 Cross-Sectional Analysis of Sustainability Activities in the Pharmaceutical Companies
Authors: Kanika Saxena, Sunita Balani
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Purpose - The aim of the study is to compare the reported sustainability activities in areas of emission, water management and gender equality, currently undertaken by the seven major pharmaceutical companies. Methodology: The published corporate sustainability activity reports for the year 2017 for seven pharmaceutical companies have been studied. The two main criteria for the inclusion of pharmaceutical companies in this study are that they are globally recognized and active in the field of sustainability reporting. Company’s actions and initiatives have been grouped under three categories: (i) Emissions (ii) Water management (iii) Gender Equality in terms of employee workforce. Findings: Based on the sustainability reports, quantification and grading of the companies showed interesting results. Johnson & Johnson and Bayer are leading their activities under emissions and water management categories. The number of activities under emission and water management in case of Eli Lily, Roche, Sanofi, Pfizer and GlaxoSmithKline were 19, 16, 16, 11 and 6 respectively. Johnson & Johnson and Eli Lily are leading in taking the initiatives to curb the problem of emissions as compared with other 5 companies. Under the category of gender equality in terms of employee workforce, Eli Lily is leading the group of sampled companies with 47% of women employee workforce globally followed by Sanofi with 46.2% (42.2% of managers) female employees. It has also been observed that in some of the reports, gender diversification in the workforce has not been mentioned though the total number of employees were mentioned. Conclusion: This study could serve as the informative material for future in-depth industry-specific studies in order to find out the participation of the pharmaceutical companies in the reporting of the sustainability activities especially in reference to emission, water management and gender equality in the workforce. In addition to it, this can be helpful as a reference point for other companies in the pharmaceutical sector who are yet to explore the field of sustainability initiatives and reporting. Due to the limited scope of this study, only seven major players of the pharmaceutical sector who are active in the field of sustainability have been considered.Keywords: emission, gender equality workforce, pharmaceutical, sustainability, water management
Procedia PDF Downloads 1699793 A Corpus-Assisted Discourse Analysis of Adjectival Collocation of the Word 'Education' in the American Context
Authors: Ngan Nguyen
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The study analyses adjectives collocating with the word ‘education’ in the American language of the Corpus of Global Web-based English using a combination of corpus linguistic and discourse analytical methods to examine not only language patterns but also social political ideologies around the topic. Significant conclusions are deduced: (1) there are a large number of adjectival collocates of the word education which have been identified and classified into four categories representing four different aspects of education: level, quality, forms and types of education; (2) education, as in combination with three first categories, carries the meaning as the act and process of teaching and learning while with the last category having the meaning of a particular kind of teaching or training; (3) higher education is the topic that gains most concerns from the American public; (4) five most significant ideologies are discovered from the corpus: higher education associates with financial affairs, higher education is an industry, monetary policy of the government on higher education, people require greater accessibility to higher education and people value higher education. The study contributes to the field of developing meanings of words through corpus analysis and the field of discourse analysis.Keywords: adjectival collocation, American context, corpus linguistics, discourse analysis, education
Procedia PDF Downloads 3519792 In vivo Spectroscopic Study on the Effects of Ionising and Non-Ionising Radiation on Some Biophysical Properties of Rat Blood
Authors: S. H. Allehyani, H. S. Ibrahim, F. M. Ali, E. Sayd, T. Abou Aiad
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The present study aimed to analyse the radiation risk associated with the exposure of haemoglobin (Hb) of rat red blood cells (rbcs) exposed to a 50-Hz 6-kV/m electric field, a fast neutron dose of 1 mSv, and mixed radiation from fast neutrons and an electric field distributed over a period of three weeks at a rate of 5 days/week and 8 hours/day. The dielectric measurements and the absorption spectra for the haemoglobin molecule in the frequency range of 1 kHz to 5 MHz were measured for all of the samples. The dielectric relaxation results demonstrated an increase in the dielectric increment (∆ε) for the rbcs from all of the irradiated animals, which indicates an increase in the electric dipole. Moreover, the results revealed a decrease in the relaxation time (τ) and the molecular radius (r) of the irradiated molecules, which indicates that the increase in ∆ε is mainly due to a pronounced increase in the centre of mass of the charge on the electric dipole of the Hb molecule. The results from the absorption spectra indicate that the ratio of met-haemoglobin to oxy-haemoglobin is altered by irradiation. Moreover, the results from the delayed effect studies show that the structure and function of the newly generated Hb molecules are altered and dissimilar to that of healthy Hb.Keywords: rat red blood cell haemoglobin, dielectric properties, absorption spectra, biochemical analysis
Procedia PDF Downloads 3729791 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 1429790 Prevalence of Common Mental Disorders and Its Correlation with Mental Toughness among Professional South African Rugby Players
Authors: H. B. Grobler, K. Du Plooy, P. Kruger, S. Ellis
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Objectives: The primary objective of the study was to determine the common mental disorders (CMD) identified by professional South African rugby players and its correlation with their mental toughness, as a first step towards developing such a programme within a larger research project. Design: Survey research, within the theoretical perspective of field theory, was conducted, utilising an adaptation of an already existing mental health questionnaire. The aim was to obtain feedback from as many possible professional South African rugby players in order to make certain generalizations and come to conclusions with regard to the current mental health experiences of these rugby players. Methods: Non-randomized sampling was done, linking it with internet research in the form of the online completion of a questionnaire. A sample of 215 rugby players participated and completed the online questionnaire. Permission was obtained to make use of an existing questionnaire, previously used by the specific authors with retired professional rugby players. A section on mental toughness was added. Data were descriptively analysed by means of the SPSS software platform. Results: Results indicated that the most significant problem that the players are experiencing, is a problem with alcohol (47.9%). Other problems that featured are distress (16.3%), sleep disturbances (7%), as well as anxiety and depression (4.2%). 4.7% of the players indicated that they smoke. 3.3% of the players experience themselves as not being mentally tough. A positive correlation between mental toughness and sound sleep (0.262) was found while a negative correlation was found between mental toughness and the following: anxiety/depression (-0.401), anxiety/depression positive (-0.423), distress (-0.259) and common mental disorder problems in general (-0.220). Conclusions: Although the presence of CMD at first glance do not seem significantly high amongst all the players, it must be considered that if one player in a team experiences the presence of CMD, it will have an impact on his mental toughness and most likely on his performance, as well as on the performance of the whole team. It is therefore important to ensure mental health in the whole team, by addressing individual CMD problems. A mental health support programme is therefore needed to be implemented to the benefit of these players within the South African context.Keywords: common mental disorders, mental toughness, professional athletes, rugby players
Procedia PDF Downloads 2239789 Rehabilitation of Dilapidated Buildings in Morocco: Turning Urban Challenges into Opportunities
Authors: Derradji A., Ben El Mamoun M., Zakaria E., Charadi I. Anrur
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The issue of dilapidated buildings represents a significant opportunity for constructive and beneficial interventions in Morocco. Faced with challenges associated with aging constructions and rapid urbanization, the country is committed to developing innovative strategies aimed at revitalizing urban areas and enhancing the sustainability of infrastructure, thereby ensuring citizens' safety. Through targeted investments in the renovation and modernization of existing buildings, Morocco aims to stimulate job creation, boost the local economy, and improve the quality of life for residents. Additionally, the integration of sustainable construction standards and the strengthening of regulations will promote resilient and environmentally friendly urban development. In this proactive perspective, LABOTEST has been commissioned by the National Agency for Urban Renewal (ANRUR) to conduct an in-depth study. This study focuses on the technical expertise of 1800 buildings identified as dilapidated in the prefectures of Rabat and Skhirat-Témara following an initial clearance operation. The primary objective of this initiative is to conduct a comprehensive diagnosis of these buildings and define the necessary interventions to eliminate potential risks while ensuring appropriate treatment. The article presents the adopted intervention methodology, taking into account the social dimensions involved, as well as the results of the technical expertise. These results include the classification of buildings according to their degree of urgency and recommendations for appropriate conservatory measures. Additionally, different pathologies are identified and accompanied by specific treatment proposals for each type of building. Since this study, the adopted approach has been generalized to the entire territory of Morocco. LABOTEST has been solicited by other cities such as Casablanca, Chefchaouen, Ouazzane, Azilal, Bejaad, and Demnate. This extension of the initiative demonstrates Morocco's commitment to addressing urban challenges in a proactive and inclusive manner. These efforts also illustrate the endeavors undertaken to transform urban challenges into opportunities for sustainable development and socio-economic progress for the entire population.Keywords: building, dilapidated, rehabilitation, Morocco
Procedia PDF Downloads 699788 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 749787 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 3019786 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 769785 The Publication Impact of London’s Air Ambulance on the Field of Pre-Hospital Medicine and Its Application to Air Ambulances Internationally: A Bibliometric Analysis
Authors: Maria Ahmad, Alexandra Valetopoulou, Michael D. Christian
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Background: London’s Air Ambulance (LAA) provides advanced pre-hospital trauma care across London, bringing specialist resources and expert trauma teams to patients. Since its inception 32 years ago, LAA has treated over 40,000 pre-hospital patients and significantly contributed to pre-hospital patient care in London. To the authors’ best knowledge, this is the first analysis to quantify the magnitude of the publication impact of LAA on the international field of pre-hospital medicine. Method: We searched the Scopus, Web of Science, Google Scholar and PubMed databases to identify LAA focused articles. These were defined as articles on the topic of pre-hospital medicine which either utilised data from LAA, or focused on LAA patients, or were authored by LAA clinicians. A bibliometric analysis was conducted and the impact of each eligible article was classified as either: high (article directly influenced the change or creation of clinical guidelines); medium (the article was referenced in clinical guidelines or had >20 Google Scholar citations or >10 PubMed citations); or low impact (article had <20 Google Scholar citations or <10 PubMed citations). Results: The literature search yielded 1,120 articles in total. 198 articles met our inclusion criteria, and their full text was analysed to determine the level of impact. 19 articles were classified as high-impact, 76 as medium-impact, and 103 as low-impact. 20 of the 76 medium-impact articles were referenced in clinical guidelines but had not prompted changes to the guidelines. Conclusion: To our knowledge, this review is the first to quantify the significant publication impact of LAA within the field of pre-hospital medicine over the last 32 years. LAA publications have focused on and driven clinical innovations in trauma care, particularly in pre-hospital anaesthesia, haemorrhage control, and major incidents, with many impacting national and international guidelines. We recommend a greater emphasis on multidisciplinary pre-hospital collaboration in publications in future research and quality improvement projects across all pre-hospital services.Keywords: air ambulance, pre-hospital medicine, London’s Air Ambulance, London HEMS
Procedia PDF Downloads 799784 3D Reconstruction of Human Body Based on Gender Classification
Authors: Jiahe Liu, Hongyang Yu, Feng Qian, Miao Luo
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SMPL-X was a powerful parametric human body model that included male, neutral, and female models, with significant gender differences between these three models. During the process of 3D human body reconstruction, the correct selection of standard templates was crucial for obtaining accurate results. To address this issue, we developed an efficient gender classification algorithm to automatically select the appropriate template for 3D human body reconstruction. The key to this gender classification algorithm was the precise analysis of human body features. By using the SMPL-X model, the algorithm could detect and identify gender features of the human body, thereby determining which standard template should be used. The accuracy of this algorithm made the 3D reconstruction process more accurate and reliable, as it could adjust model parameters based on individual gender differences. SMPL-X and the related gender classification algorithm have brought important advancements to the field of 3D human body reconstruction. By accurately selecting standard templates, they have improved the accuracy of reconstruction and have broad potential in various application fields. These technologies continue to drive the development of the 3D reconstruction field, providing us with more realistic and accurate human body models.Keywords: gender classification, joint detection, SMPL-X, 3D reconstruction
Procedia PDF Downloads 729783 Localized Dynamic Lensing with Extended Depth of Field via Enhanced Light Sound Interaction
Authors: Hamid R. Chabok, Demetrios N. Christodoulides, Mercedeh Khajavikhan
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In recent years, acousto-optic (AO) lenses with tunable foci have emerged as a powerful tool for optical beam shaping, imaging, and particle manipulation. In most current AO lenses, the incident light that propagates orthogonally to a standing ultrasonic wave converts to a Bessel-like beam pattern due to the Raman-Nath effect, thus forming annular fringes that result in compromised focus response. Here, we report a new class of AO dynamic lensing based on generating a 3D-variable refractive index profile via a z-axis-scan ultrasound transducer. By utilizing the co- /counter propagation of light and acoustic waves that interact over a longer distance, the laser beam can be strongly focused in a fully controllable manner. Using this approach, we demonstrate AO lenses with instantaneous extended depth of field (DoF) and laterally localized dynamic focusing. This new light-sound interaction scheme may pave the way towards applications that require remote focusing, 3D micromanipulation, and deep tissue therapy/imaging.Keywords: acousto-optic, optical beam shaping, dynamic lensing, ultrasound
Procedia PDF Downloads 1069782 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 1419781 Cognitivism in Classical Japanese Art and Literature: The Cognitive Value of Haiku and Zen Painting
Authors: Benito Garcia-Valero
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This paper analyses the cognitivist value of traditional Japanese theories about aesthetics, art, and literature. These reflections were developed several centuries before actual Cognitive Studies, which started in the seventies of the last century. A comparative methodology is employed to shed light on the similarities between traditional Japanese conceptions about art and current cognitivist principles. The Japanese texts to be compared are Zeami’s treatise on noh art, Okura Toraaki’s Waranbe-gusa on kabuki theatre, and several Buddhist canonical texts about wisdom and knowledge, like the Prajnaparamitahrdaya or Heart Sutra. Japanese contemporary critical sources on these works are also referred, like Nishida Kitaro’s reflections on Zen painting or Ichikawa Hiroshi’s analysis of body/mind dualism in Japanese physical practices. Their ideas are compared with cognitivist authors like George Lakoff, Mark Johnson, Mark Turner and Margaret Freeman. This comparative review reveals the anticipatory ideas of Japanese thinking on body/mind interrelationship, which agrees with cognitivist criticism against dualism, since both elucidate the physical grounds acting upon the formation of concepts and schemes during the production of knowledge. It also highlights the necessity of recovering ancient Japanese treatises on cognition to continue enlightening current research on art and literature. The artistic examples used to illustrate the theory are Sesshu’s Zen paintings and Basho’s classical haiku poetry. Zen painting is an excellent field to demonstrate how monk artists conceived human perception and guessed the active role of beholders during the contemplation of art. On the other hand, some haikus by Matsuo Basho aim at factoring subjectivity out from artistic praxis, which constitutes an ideal of illumination that cannot be achieved using art, due to the embodied nature of perception; a constraint consciously explored by the poet himself. These ideas consolidate the conclusions drawn today by cognitivism about the interrelation between subject and object and the concept of intersubjectivity.Keywords: cognitivism, dualism, haiku, Zen painting
Procedia PDF Downloads 1489780 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
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