Search results for: contingency theory

Authors: Hyun Chang Kim, Yong Hun Jung, Kyung Woon Jeung

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Background: From the viewpoint of cardiac pump theory, the area of the left ventricle (LV) subjected to compression increases as the LV lies closer to the sternum, possibly resulting in higher blood flow in patients with LV closer to the sternum. However, no study has evaluated LV position during cardiac arrest or its relationship with hemodynamic parameters during cardiopulmonary resuscitation (CPR). The objectives of this study were to determine whether the position of the LV relative to the anterior-posterior axis representing the direction of chest compression shifts during cardiac arrest and to examine the relationship between LV position and hemodynamic parameters during CPR. Methods: Subcostal view echocardiograms were obtained from 15 pigs with the transducer parallel to the long axis of the sternum before inducing ventricular fibrillation (VF) and during cardiac arrest. Computed tomography was performed in three pigs to objectively observe LV position during cardiac arrest. LV position parameters including the shortest distance between the anterior-posterior axis and the mid-point of the LV chamber (DAP-MidLV), the shortest distance between the anterior-posterior axis and the LV apex (DAP-Apex), and the area fraction of the LV located on the right side of the anterior-posterior axis (LVARight/LVATotal) were measured. Results: DAP-MidLV, DAP-Apex, and LVARight/LVATotal decreased progressively during untreated VF and basic life support (BLS), and then increased during advanced cardiovascular life support (ACLS). A repeated measures analysis of variance revealed significant time effects for these parameters. During BLS, the end-tidal carbon dioxide and systolic right atrial pressure were significantly correlated with the LV position parameters. During ACLS, systolic arterial pressure and systolic right atrial pressure were significantly correlated with DAP-MidLV and DAP-Apex. Conclusions: LV position changed significantly during cardiac arrest compared to the pre-arrest baseline. LV position during CPR had significant correlations with hemodynamic parameters.

Keywords: heart arrest, cardiopulmonary resuscitation, heart ventricle, hemodynamics

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Authors: Ndagi Salihu

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Corporate governance mechanisms are the control measures for ensuring that all the interests groups are equally represented and management are working towards wealth creation in the interest of all. Therefore, there are many empirical studies during the last three decades on corporate governance and firm performance. However, little is known about the effects of family ownership on the relationship between corporate governance and firm performance, especially in the developing economy like Nigeria. This limit our understanding of the unique governance dynamics of family ownership with regards firm performance. This study examined the impact of family ownership on the relationship between governance mechanisms and financial performance of publicly listed companies in Nigeria. The study adopted quantitative research methodology using correlational ex-post factor design and secondary data from annual reports and accounts of a sample of 23 listed companies for a period of 5 years (2014-2018). The explanatory variables are the board size, board composition, board financial expertise, and board audit committee attributes. Financial performance is proxy by Return on Assets (ROA) and Return on Equity (ROE). Multiple panel regression technique of data analysis was employed in the analysis, and the study found that family ownership has a significant positive effect on the relationships between corporate governance mechanisms and financial performance of publicly listed firms in Nigeria. This finding is the same for both the ROA and ROE. However, the findings indicate that board size, board financial expertise, and board audit committee attributes have a significant positive impact on the ROA and ROE of the sample firms after the moderation. Moreover, board composition has significant positive effect on financial performance of the sample listed firms in terms of ROA and ROE. The study concludes that the use of family ownership in the control of firms in Nigeria could improve performance by reducing the opportunistic actions managers as well as agency problems. The study recommends that publicly listed companies in Nigeria should allow significant family ownership of equities and participation in management.

Keywords: profitability, board characteristics, agency theory, stakeholders

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Authors: Pradip Kumar Das

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Phenomenal growth of population and industry exploits the environment in varied ways. Consequently, the greenhouse effect and other allied problems are threatening mankind the world over. Protection and up gradation of environment have, therefore, become the prime necessity all of mankind for the sustainable development of environment. People in humbler walks of life including the corporate citizens have become aware of the impacts of environmental pollution. Governments of various nations have entered the picture with laws and regulations to correct and cure the effects of present and past violations of environmental practices and to obstruct future violations of good environmental disciplines. In this perspective, environmental audit directs verification and validation to ensure that the various environmental laws are complied with and adequate care has been taken towards environmental protection and preservation. The discipline of environmental audit has experienced expressive development throughout the world. It examines the positive and negative effects of the activities of an enterprise on environment and provides an in-depth study of the company processes any growth in realizing long-term strategic goals. Environmental audit helps corporations assess its achievement, correct deficiencies and reduce risk to the health and improving safety. Environmental audit being a strong management tool should be administered by industry for its own self-assessment. Developed countries all over the globe have gone ahead in environment quantification; but unfortunately, there is a lack of awareness about pollution and environmental hazards among the common people in India. In the light of this situation, the conceptual analysis of this study is concerned with the rationale of environmental audit on the industry and the society as a whole and highlights the emerging dimensions in the auditing theory and practices. A modest attempt has been made to throw light on the recent development in environmental audit in developing nations like India and the problems associated with the implementation of environmental audit. The conceptual study also reflects that despite different obstacles, environmental audit is becoming an increasing aspect within the corporate sectors in India and lastly, conclusions along with suggestions have been offered to improve the current scenario.

Keywords: environmental audit, environmental hazards, environmental laws, environmental protection, environmental preservation

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Authors: Chukwumeka Daniel Ezeliora

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The Nigerian manufacturing sector plays a pivotal role in the country's economic growth and development. However, it faces numerous challenges, including operational inefficiencies and inherent risks that hinder its sustainable growth. This research aims to address these challenges by exploring the integration of Lean and Six Sigma methodologies into the manufacturing processes, ultimately enhancing operational effectiveness and risk mitigation. The core of this research involves the development of a sustainable Lean Six Sigma framework tailored to the specific needs and challenges of Nigeria's manufacturing environment. This framework aims to streamline processes, reduce waste, improve product quality, and enhance overall operational efficiency. It incorporates principles of sustainability to ensure that the proposed methodologies align with environmental and social responsibility goals. To validate the effectiveness of the integrated Lean Six Sigma approach, case studies and real-world applications within select manufacturing companies in Nigeria will be conducted. Data were collected to measure the impact of the integration on key performance indicators, such as production efficiency, defect reduction, and risk mitigation. The findings from this research provide valuable insights and practical recommendations for selected manufacturing companies in South East Nigeria. By adopting sustainable Lean Six Sigma methodologies, these organizations can optimize their operations, reduce operational risks, improve product quality, and enhance their competitiveness in the global market. In conclusion, this research aims to bridge the gap between theory and practice by developing a comprehensive framework for the integration of Lean and Six Sigma methodologies in Nigeria's manufacturing sector. This integration is envisioned to contribute significantly to the sector's sustainable growth, improved operational efficiency, and effective risk mitigation strategies, ultimately benefiting the Nigerian economy as a whole.

Keywords: lean six sigma, manufacturing, risk mitigation, sustainability, operational efficiency

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Authors: Hakam Junus, Natassha Chrysanti

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The international relations theory currently is dominated by the western theoretical perspectives. Although the western theories are often used by many scholars as the universal perspective to explain the phenomena that occur in the world, sometimes the existing theories are failed to explain various issues that occur in the non-western world, for example, in the studies concerning on terrorism issues. Using inappropriate theories to explain the international issues such as terrorism will cause a failure in the decision-making process. The lack of understanding regarding Islamic perspective could be one of the factors that make international society unable to eradicate violent terrorism in the name of religion. Thus, this paper is argued that considering Islamic perspective as one of the major studies in international relations is significant to build a bridge between the Islamic world and the western world. It is believed that enhancing the study of Islamic perspective will create better understanding of the Islamic world and will enrich the study of international relations. This paper is conducted through a qualitative approach, in which data is obtained from the literature analysis. Considering Islamic perspective is important because Islam is listed as one of the major religions in the world. It is also due to the geopolitical spread of the Muslim in the world and the likelihood of the Islamic perspective to shape and influence Muslim’s behavior in the international level. The study of Islamic perspective in the international level is neither to contempt nor to oppose the existing western theories; rather it is needed in order to broaden the perspective in the international relations studies. The Islamic perspective is different compared to the non-western school of thought such as realism, and liberalism in some respects. The Islamic perspective cannot be explained through the lens of rationalist approaches. Compares to the post-positivism international relations perspectives, Islamic perspective is probably closer to the constructivist school of thought. However, the Islamic perspective offers some uniqueness that is not limited to the socially constructed ideas as in the constructivist arguments. This paper will be developed according to the discussion of three aspects that make Islamic perspective different with the existing international relations theories. The first aspect is the main actors in the international level. The second aspect is regarding on what appears to be the most important point for the actors in the international relations. The third aspect is regarding the pattern of relationship between the actors in the international level. In addition, this paper will briefly discuss the perspective of Islam in economics compare to the existing theories in the realm of international political economy.

Keywords: international relations, Islam, non-western theories, societies

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Authors: Carie Cunningham, Krsiten Lynch

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Despite a viewer’s thought that they may be paying attention, many times they are missing out on their surrounds-- a phenomenon referred to as inattentional blindness. Inattention blindness refers to the failure of an individual to orient their attention to a particular item in their visual field. This well-defined in the psychology literature. Similarly, this phenomenon has been evaluated in media types in advertising. In advertising, not comprehending/remembering items in one’s field of vision is known as banner blindness. On the other hand, banner blindness is a phenomenon that occurs when individuals habitually see a banner in a specific area on a webpage, and thus condition themselves to ignore those habitual areas. Another reason that individuals avoid these habitual areas (usually on the top or sides of a webpage) is due to the lack of personal relevance or pertinent information to the viewer. Banner blindness, while a web-based concept, may also relate this inattention blindness. This paper is proposing an analysis of the true similarities and differences between these concepts bridging the two dimensions of thinking together. Forty participants participated in an eye-tracking and post-survey experiment to test attention and memory measures in both a banner blindness and inattention blindness condition. The two conditions were conducted between subjects semi-randomized order. Half of participants were told to search through the content ignoring the advertising banners; the other half of participants were first told to search through the content ignoring the distractor icon. These groups were switched after 5 trials and then 5 more trials were completed. In review of the literature, sustainability communication was found to have many inconsistencies with message production and viewer awareness. For the purpose of this study, we used advertising materials as stimuli. Results suggest that there are gaps between the two concepts and that more research should be done testing these effects in a real world setting versus an online environment. This contributes to theory by exploring the overlapping concepts—inattention blindness and banner blindness and providing the advertising industry with support that viewers can still fall victim to ignoring items in their field of view even if not consciously, which will impact message development.

Keywords: attention, banner blindness, eye movement, inattention blindness

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Authors: Dewi Retno Sari Saputro, Purnami Widyaningsih, Hendrika Handayani

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Extreme data on an observation can occur due to unusual circumstances in the observation. The data can provide important information that can’t be provided by other data so that its existence needs to be further investigated. The method for obtaining extreme data is one of them using maxima block method. The distribution of extreme data sets taken with the maxima block method is called the distribution of extreme values. Distribution of extreme values is Gumbel distribution with two parameters. The parameter estimation of Gumbel distribution with maximum likelihood method (ML) is difficult to determine its exact value so that it is necessary to solve the approach. The purpose of this study was to determine the parameter estimation of Gumbel distribution with quasi-Newton BFGS method. The quasi-Newton BFGS method is a numerical method used for nonlinear function optimization without constraint so that the method can be used for parameter estimation from Gumbel distribution whose distribution function is in the form of exponential doubel function. The quasi-New BFGS method is a development of the Newton method. The Newton method uses the second derivative to calculate the parameter value changes on each iteration. Newton's method is then modified with the addition of a step length to provide a guarantee of convergence when the second derivative requires complex calculations. In the quasi-Newton BFGS method, Newton's method is modified by updating both derivatives on each iteration. The parameter estimation of the Gumbel distribution by a numerical approach using the quasi-Newton BFGS method is done by calculating the parameter values that make the distribution function maximum. In this method, we need gradient vector and hessian matrix. This research is a theory research and application by studying several journals and textbooks. The results of this study obtained the quasi-Newton BFGS algorithm and estimation of Gumbel distribution parameters. The estimation method is then applied to daily rainfall data in Purworejo District to estimate the distribution parameters. This indicates that the high rainfall that occurred in Purworejo District decreased its intensity and the range of rainfall that occurred decreased.

Keywords: parameter estimation, Gumbel distribution, maximum likelihood, broyden fletcher goldfarb shanno (BFGS)quasi newton

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Authors: Thanh N. Do

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This paper addresses the modeling of two critical behaviors of concrete material in reinforced concrete components: (1) the increase in strength and ductility due to confining stresses from surrounding transverse steel reinforcements, and (2) the progressive deterioration in strength and stiffness due to high strain and/or cyclic loading. To improve the state-of-the-art, the author presents a new 3D constitutive model of concrete material based on plasticity and continuum damage mechanics theory to simulate both the confinement effect and the strength deterioration in reinforced concrete components. The model defines a yield function of the stress invariants and a compressive damage threshold based on the level of confining stresses to automatically capture the increase in strength and ductility when subjected to high compressive stresses. The model introduces two damage variables to describe the strength and stiffness deterioration under tensile and compressive stress states. The damage formulation characterizes well the degrading behavior of concrete material, including the nonsymmetric strength softening in tension and compression, as well as the progressive strength and stiffness degradation under primary and follower load cycles. The proposed damage model is implemented in a general purpose finite element analysis program allowing an extensive set of numerical simulations to assess its ability to capture the confinement effect and the degradation of the load-carrying capacity and stiffness of structural elements. It is validated against a collection of experimental data of the hysteretic behavior of reinforced concrete columns and shear walls under different load histories. These correlation studies demonstrate the ability of the model to describe vastly different hysteretic behaviors with a relatively consistent set of parameters. The model shows excellent consistency in response determination with very good accuracy. Its numerical robustness and computational efficiency are also very good and will be further assessed with large-scale simulations of structural systems.

Keywords: concrete, damage-plasticity, shear wall, confinement

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Authors: Ririn Marinasari, S. Pi

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Hampal (Hampala macrolepidota) is one of Citarum river indigenous fishes that still find in Jatiluhur dam. IUCN at 2013 said that hampal listed on redlist species category, this species was rare in Jatiluhur dam. This species more and more decreasing because change of habitats characteristic such as water quality and fishing effort. This study aims to determine and identify the influence of fishing effort and the quality of water on the productivity of fish resources hampal (Hampala macrolepidota) in Jatiluhur. The study was conducted from October to November 2013. Zones of research include lacustrine zone, transition and Riverin. Hampal fish productivity value computed by Hampal’s CPUE values. The results showed that fish MSY hampal obtained from surplus production model of Schaefer is equal to 0.2045 tons / quarterly. In the years 2011-2012 have occurred over fishing in 2013 while still under fishing. Total catches have exceeded the MSY during the year 2011 and the third quarterly of 2012 tons of fish that exceed 0.2045 hampal. The rate of utilization of fish resources hampal is equal to 80% of MSY or equal to the allowable catch (Total Allowable Catch) for fish in Jatiluhur hampal based Schaefer surplus production theory. Fishing effort, water quality parameters such as DO, turbidity and negatively correlated sulfide as H2S, while the temperature and pH positively correlated to productivity or unit catches fish hampal efforts in quarterly time series in the period 2011-2013. Shows that the higher fishing effort, DO, turbidity and sulfide in H2S and diminishing the temperature and pH of the productivity decreases. Variables that affect the productivity of fishing hampal only H2S only factor beta coefficient -0.834 which indicates a negative effect. It can be caused by H2S levels are toxic and have already exceeded the quality standard, while for other water quality parameters are still below the maximum standards allowed in the waters. Result of the study can be a reference of fishing regulation for hampal conservation in Jatiluhur dam.

Keywords: effort, hampal, productivity, water quality

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Authors: Kgolagano Mpejane

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The study applies a New Institutional Economics (NIE) analytical framework to trade in developing economies by assessing the impacts of institutional quality and institutional quality distance on agricultural trade using a panel data of 15 Southern African Development Community (SADC) countries from the years 1991-2010. The issue of institutions on agricultural trade has not been accorded the necessary attention in the literature, particularly in developing economies. Therefore, the paper empirically tests the gravity model of international trade by measuring the impact of political, economic and legal institutions on intra SADC agricultural trade. The gravity model is noted for its exploratory power and strong theoretical foundation. However, the model has statistical shortcomings in dealing with zero trade values and heteroscedasticity residuals leading to biased results. Therefore, this study employs a two stage Heckman selection model with a Probit equation to estimate the influence of institutions on agricultural trade. The selection stages include the inverse Mills ratio to account for the variable bias of the gravity model. The Heckman model accounts for zero trade values and is robust in the presence of heteroscedasticity. The empirical results of the study support the NIE theory premise that institutions matter in trade. The results demonstrate that institutions determine bilateral agricultural trade on different margins with political institutions having positive and significant influence on bilateral agricultural trade flows within the SADC region. Legal and economic institutions have significant and negative effects on SADC trade. Furthermore, the results of this study confirm that institutional quality distance influences agricultural trade. Legal and political institutional distance have a positive and significant influence on bilateral agricultural trade while the influence of economic, institutional quality is negative and insignificant. The results imply that nontrade barriers, in the form of institutional quality and institutional quality distance, are significant factors limiting intra SADC agricultural trade. Therefore, gains from intra SADC agricultural trade can be attained through the improvement of institutions within the region.

Keywords: agricultural trade, institutions, gravity model, SADC

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Authors: Manu Manu, Pardha J. Saradhi, Ramana M. V. Murthy

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Wind Energy is accepted as one of the most developed, cost effective and proven renewable energy technologies to meet increasing electricity demands in a sustainable manner. Preliminary assessment studies along Indian Coastline by Ministry of New and Renewable Energy have indicated prospects for development of offshore wind power along Tamil Nadu Coast, India. The commercial viability of a wind project mainly depends on wind characteristics on site. Hence, it is internationally recommended to perform site-specific wind resource assessment based on two years’ wind profile as a part of the feasibility study. Conventionally, guy wire met mast are used onshore for the collection of wind profile. Installation of similar structure in offshore requires complex marine spread and are very expensive. In the present study, an attempt is made to develop 120 m long lattice tower supported on the jacket, piled to the seabed at Rameshwaram, Tamil Nadu, India. Offshore met-masts are subjected to combined wind and hydrodynamic loads, and these lateral loads should be safely transferred to soil. The wind loads are estimated based on gust factor method, and the hydrodynamic loads are estimated by Morison’s equation along with suitable wave theory. The soil is modeled as three nonlinear orthogonal springs based on API standards. The structure configuration and optimum member sizes are obtained for extreme cyclone events. The dynamic behavior of mast under coupled wind and wave loads is also studied. The static responses of a mast with jacket type offshore platform have been studied using a frame model in SESAM. It is found from the study that the maximum displacement at the top of the mast for the random wave is 0.003 m and that of the tower for wind is 0.08 m during the steady state. The dynamic analysis results indicate that the structure is safe against coupled wind and wave loading.

Keywords: offshore wind, mast, static, aerodynamic load, hydrodynamic load

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Authors: Dan Frederick Orcherton

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This research explores the fusion of "Critical Pedagogy of Place" and "Indigenous Education Philosophy" to create a holistic pedagogical framework within Instructional Theory, focusing on its application in Distance Education, specifically within two Pacific Island cultures. The study's objectives included investigating culturally relevant instructional techniques, strategies, and technologies for the Itaukei (Indigenous Fijian) and ni-Vanuatu cultures, enhancing appreciation for culturally sensitive pedagogical methods. Methodologically, a qualitative inquiry phenomenological approach was employed within a constructivist paradigm, utilizing a comprehensive qualitative scoping review and online literature search. Key findings include the prioritization of cultural inclusivity and indigenous knowledge integration in both indigenous education philosophies and various instructional approaches. Learner-centered methods like constructivist andragogy and the learning cycle are applicable and effective in distance education within these cultures, aligning with indigenous learners' values and preferences. Place-based education and critical pedagogy of place are particularly pertinent, fostering a deeper connection between education, local environments, and social justice. Integrating digital technologies in culturally responsive education bridges geographical gaps and preserves cultural knowledge. Lastly, blending Western and Indigenous Science, influenced by a Two-Eyed Seeing approach, informs pedagogy by combining Western and Indigenous Science. This research underscores the importance of acknowledging cultural diversity and respecting indigenous knowledge in distance education. It highlights the value of learner-centered approaches, place-based education, and technology integration. The study enriches the educational experience within the Itaukei and niVanuatu cultures and provides insights for educators and policymakers aiming to bridge cultural gaps in distance education.

Keywords: critical pedegory of place, Itaukei (indigenous Fijian) and ni-Vanuatu cultures, placed-based education, indigenous knowledge, distance education

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Authors: Ali Jibran

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China was considered as a revisionist state by the countries of East Asia during Maoist era; but China’s role changed from a revisionist state to a constructive member of East Asian Community in post-Maoist era. This research will mainly investigate the two phenomena: what were reasons of behavioral change of China in East Asia and what role has China played to promote regionalism in East Asia since Open Door Policy of Deng Xiaoping. To understand these two phenomena, this study applies the international relations theory of Uneven and Combined Development (U&CD). The central finding of this study is that ‘whip of external necessity’ posed by the Western dominance during the Chinese ‘century of ignominy’ resulted in a Maoist regime in China in 1948 which was hostile to its neighbors due to ideological tensions. Maoist regime in China could not solve the challenges posed by the ‘international’; therefore after Mao’s death, a new economic approach was introduced in China to deal with the challenges postured by the ‘international’. Due to Deng Xiaoping’s 'Open Door Policy' era, China used its ‘privilege of historic backwardness’ and witnessed unprecedented economic growth. As the societies are multiple and exist in real time, therefore interaction among societies is pertinent. Export oriented domestic policy pushed China to concentrate less on class struggle and improve its relations with its neighbors in East Asia. As China soon become a global hub of trade after market oriented reforms, therefore friendly relations with the states of East Asia was pertinent. This study will investigate Chinese role in regionalism in East Asia in three area: Chinese role in promoting regionalism in East Asia, China’s role in economic integration in East Asia and China’s role in combatting terrorism in East Asia. This study will be divided in two section. The first section will deal with the transformation in Chinese behavior in East Asia in post Maoist era, and the second section will analyze China’s role in East Asia by looking at Chinese role in institutional mechanism, economic integration and combatting terrorism in East Asia.

Keywords: East Asia, regionalism, institutionlism, economic integration

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Authors: Christen Kutz

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Objective: The aim of this study is to review a case series of 4 high-level Olympic and Division 1 wrestlers who experienced debilitating posterior circulation ischemic strokes during or after a competitive wrestling event and to identify risk factors, etiology and outcomes of stroke in young, healthy elite wrestlers. Background: Stroke occurs in one in 10,000 people under age 64. In young adults, the most common causes of stroke are cardiac embolism, hypercoagulable state, and vasculopathy. One-third of these strokes occur in young, fit individuals. There is little published literature about ischemic strokes that occur in wrestlers. Based on the nature of wrestling, the risk of injury or dissection to neurovascular structures may be a possible theory, but very few case reports exist. Methodology: 4 wrestlers under the age of 44 with a known history of ischemic stroke participated in individual interviews either in person or virtually. Each of the wrestlers provided their demographic information, wrestling background, clinical presentation at the time of stroke, imaging results, identification of potential risk factors, acute treatment and recovery. Results: 3 white male Division 1 wrestlers (2 Lehigh University, 1 Lock Haven University) and 1 black male 2008 Olympian experienced posterior circulation strokes. Case #1 felt a “pop” while wrestling (lateral medullary infarct, possible vertebral artery dissection); Case #2 awoke with severe vertigo, sweating, and vomiting after wrestling the previous day (left cerebellar infarct, (+) protein S deficiency); Case #3 severe vertigo, ataxia, and sensation of impending doom after wrestling earlier that week (left cerebellar infarct, hypoplastic left vertebral artery (+) anti-cardiolipin antibodies). Case #4 severe dizziness, confusion (left cerebellar stroke, vertebral artery dissection, small PFO). Conclusion: 3 wrestlers were started on anti-platelet therapy, risk factors were modified, and returned to their sport. 1 wrestler was placed on anti-coagulation and retired from competition.

Keywords: stroke, wrestling, Olympic, posterior circulation

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Authors: Paulomi (Polly) Burey, Zoe Lynch

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In STEM education, students often have difficulty linking static images and words from textbooks or online resources, to the underlying mechanisms of the topic of study. This can often dissuade some students from pursuing study in the physical and chemical sciences. A growing movement in current day students demonstrates that the YouTube generation feel they learn best from video or dynamic, interactive learning tools, and will seek these out as alternatives to their textbooks and the classroom learning environment. Chemistry, and in particular visualization of molecular structures in everyday materials, can prove difficult to comprehend without significant interaction with the teacher of the content and concepts, beyond the timeframe of a typical class. This can cause a learning hurdle for distance education students, and so it is necessary to provide strong electronic tools and resources to aid their learning. As one of the electronic resources, an animation design approach to link everyday materials to their underlying chemistry would be beneficial for student learning, with the focus here being on food. These animations were designed and storyboarded with a scaling approach and commence with a focus on the food material itself and its component parts. This is followed by animated transitions to its underlying microstructure and identifying features, and finally showing the molecules responsible for these microstructural features. The animation ends with a reverse transition back through the molecular structure, microstructure, all the way back to the original food material, and also animates some reactions that may occur during food processing to demonstrate the purpose of the underlying chemistry and how it affects the food we eat. Using this cyclical approach of linking students’ existing knowledge of food to help guide them to understanding more complex knowledge, and then reinforcing their learning by linking back to their prior knowledge again, enhances student understanding. Food is also an ideal material system for students to interact with, in a hands-on manner to further reinforce their learning. These animations were launched this year in a 2nd year University Food Chemistry course with improved learning outcomes for the cohort.

Keywords: chemistry, food science, future pedagogy, STEM Education

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Authors: Inyeol Paik, Ah-Ryang Kim

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In this research, a statistical analysis is carried out to examine the statistical properties of the formula given in the design code for concrete structures. The design formulas of the Korea highway bridge design code - the limit state design method (KHBDC) which is the current national bridge design code and the design code for concrete structures by Korea Concrete Institute (KCI) are applied for the analysis. The safety levels provided by the strength formulas of the design codes are defined based on the probabilistic and statistical theory.KHBDC is a reliability-based design code. The load and resistance factors of this code were calibrated to attain the target reliability index. It is essential to define the statistical properties for the design formulas in this calibration process. In general, the statistical characteristics of a member strength are due to the following three factors. The first is due to the difference between the material strength of the actual construction and that used in the design calculation. The second is the difference between the actual dimensions of the constructed sections and those used in design calculation. The third is the difference between the strength of the actual member and the formula simplified for the design calculation. In this paper, the statistical study is focused on the third difference. The formulas for calculating the shear strength of concrete members are presented in different ways in KHBDC and KCI. In this study, the statistical properties of design formulas were obtained through comparison with the database which comprises the experimental results from the reference publications. The test specimen was either reinforced with the shear stirrup or not. For an applied database, the bias factor was about 1.12 and the coefficient of variation was about 0.18. By applying the statistical properties of the design formula to the reliability analysis, it is shown that the resistance factors of the current design codes satisfy the target reliability indexes of both codes. Also, the minimum resistance factors of the KHBDC which is written in the material resistance factor format and KCE which is in the member resistance format are obtained and the results are presented. A further research is underway to calibrate the resistance factors of the high strength and high-performance concrete design guide.

Keywords: concrete design code, reliability analysis, resistance factor, shear strength, statistical property

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Authors: Maelle Noir

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International Human rights norms prescribe the obligation to protect refugee women against violence which requires, inter alia, state provision of justiciable, accessible, affordable and non-discriminatory access to justice. However, the interpretation and application of the law still lack gender sensitivity, intersectionality and a trauma-informed approach. Consequently, many refugee survivors face important structural obstacles preventing access to justice and often experience secondary traumatisation when navigating the legal system. This paper argues that the unique nature of the experiences of refugees with gender-based violence against women exacerbated throughout the migration journey calls for a tailored practice of the law to ensure adequate access to justice. The argument developed here is that the obligation to provide survivors with justiciable, accessible, affordable and non-discriminatory access to justice implies radically transforming the practice of the law altogether. This paper, therefore, proposes feminist lawyering as an alternative approach to the practice of the law when addressing gender-based violence against women refugees. First, this paper discusses the specific nature of gender-based violence against refugees with a particular focus on two aspects of the power-violence nexus: the analysis of the shift in gender roles and expectations following displacement as one of the causes of gender-based violence against women refugees and the argument that the asylum situation itself constitutes a form of state-sponsored and institutional violence. Second, the re-traumatising and re-victimising nature of the legal system is explored with the objective to demonstrate States’ failure to comply with their legal obligation to provide refugee women with effective access to justice. Third, this paper discusses some key practical strategies that have been proposed and implemented to transform the practice of the law when dealing with gender-based violence outside of the refugee context. Lastly, this analysis is applied to the specificities of the experiences of refugee survivors of gender-based violence.

Keywords: feminist lawyering, feminist legal theory, gender-based violence, human rights law, intersectionality, refugee protection

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Authors: Katharina Fellnhofer, Kaisu Puumalainen

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Despite the current worldwide increasing interest in entrepreneurship education (EE), little attention has been paid to innovative web-based ways such as the narrative approach by telling individual stories of entrepreneurs via multimedia for demonstrating the impact on individuals towards entrepreneurship. In addition, this research discipline is faced with no consensus regarding its effective content of teaching materials and tools. Therefore, a qualitative hypothesis-generating research contribution is required to aim at drawing new insights from published works in the EE field of research to serve for future research related to multimedia entrepreneurial narratives. Based on this background, our effort will focus on finding support regarding following introductory statement: Multimedia success and failure stories of real entrepreneurs show potential to change perceptions towards entrepreneurship in a positive way. The proposed qualitative conceptual paper will introduce the underlying background for this research framework. Therefore, as a qualitative hypothesis-generating research contribution it aims at drawing new insights from published works in the EE field of research related to entrepreneurial narratives to serve for future research. With the means of the triangulation of multiple theories, we will utilize the foundation for multimedia-based entrepreneurial narratives applying a learning-through-multimedia-real-entrepreneurial-narratives pedagogical tool to facilitate entrepreneurship. Our effort will help to demystify how value-oriented entrepreneurs telling their stories multimedia can simultaneously enhance EE. Therefore, the paper will build new-fangled bridges between well-cited theoretical constructs to build a robust research framework. Overall, the intended contribution seeks to emphasize future research of currently under-researched issues in the EE sphere, which are considered to be essential not only to academia, as well as to business and society having future jobs-providing growth-oriented entrepreneurs in mind. The Authors would like to thank the Austrian Science Fund FWF: [J3740 – G27].

Keywords: entrepreneurship education, entrepreneurial attitudes and perceptions, entrepreneurial intention, entrepreneurial narratives

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Authors: Shlomit Hon-Snir, Shosh Shahrabai, Sharon Teitler Regev, Anabel Friedlander-Lifszyc

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Today, online travel sites account for a large share of the orders for tourism services, leading to the expectation that many traditional travel agencies will become redundant in the future. Technological changes are offering customers a wider variety and better prices, and the improved competition in the industry has increased customer well-being significantly. Therefore, the question is whether all customers can enjoy this change, specifically whether different groups in the Israeli population enjoy the changes similarly. The purpose of this study is to identify the factors that affect the collection of data and the purchase of tourism products online and in particular to identify the barriers and limitations of technology usage among the population. The results of the current research are of great importance both economically and socially. The theory of Reasoned Action assumes that actual behavior is based on intention. Volitional behavior is predicted by individuals' attitudes to that behavior and by the way they think other people will look at them. Two cognitive variables regarding the use of technology are: perceived usefulness and perceived ease-of-use. Moreover, early adopters of innovations have different characteristics than people that adopt an innovation at a later stage. In the study, we analyze four groups of factors: Customer characteristics, internet usage, technology acceptance and product characteristics. Some of the parameters are gender, age, income level, frequency and type of internet use, proficiency in English, traveler type, number of trips abroad, perceived ease of use, perceived usefulness, perceived risk, perceived trust and product type. We investigate online purchasing and online information search separately. Data will be collected using an online questionnaire distributed among a representative sample of 600 citizens in Israel. Some of the research questions will be based on previous research studies (that underwent reliability and validity testing). Those questions will be translated into Hebrew and adjusted for the tested population.

Keywords: customer characteristics, online travel sites, technology acceptance, tourism

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Authors: Mateusz Jeżowski, Jadwiga Fila, Paweł Poszytek

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This abstract summarizes the combined findings of several analyses carried out by the authors on the barriers to accessing international education mobility programs by people with fewer opportunities, especially those with a low level of cultural and social capital. Two flagship educational mobility initiatives of the European Union – the Erasmus+ Program and the European Solidarity Corps are aimed at equipping young people and participants of all ages with the qualifications and skills needed for their meaningful participation in a democratic society intercultural understanding and successful transition in the labour market. The heart of these programs is to come closer to people with fewer opportunities, including people with disabilities, migrants, as well as those facing socio-economic difficulties and displaying a low level of social and cultural capital. Still, people who participate in such initiatives usually demonstrate higher than average cultural and social capital, as understood by Pierre Bourdieu. First of all, the educational attainment of their parents is higher than the average. Secondly, they mostly live in large agglomerations, with good access to education and culture, which affects their foreign language skills as well as social and cultural competencies. Finally, participation in Erasmus+ Program or European Solidarity Corps is not their first educational mobility experience. It is therefore justified to state that their social and cultural capital, already high before taking part in Erasmus+ and European Solidarity Corps, becomes even higher once their international mobility activities have been over, at the expense of those people with fewer opportunities, who, in theory, could participate in those initiatives, nonetheless did not, for the following reasons: lack of sufficient information on such programs, financial obstacles or unappreciation of the value of international mobility. In their work, the authors will discuss what are, in the light of Bourdieu’s perception of social and cultural capital, the main obstacles for young people to participate in international mobility programs of the European Union and will offer comprehensive solutions rooted in their vast experience in management and implementation of Erasmus+ Program and European Solidarity Corps.

Keywords: cultural capital, educational mobility, Erasmus+, European solidarity corps, inclusion, social capital

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Authors: Afia Shahid

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The writing of Samuel Beckett is associated with meaning in the meaninglessness and the production of what he calls ‘literature of unword’. The casual escape from the world of words in the form of silences and pauses, in his play Waiting for Godot, urges to ask question of their existence and ultimately leads to investigate the theory behind their use in the play. This paper proposes that these absences (silence and pause) in Beckett’s play force to think ‘beyond’ language. This paper asks how silence and pause in Beckett’s text speak for the emergence of poststructuralist text. It aims to identify the significant features of the philosophy of deconstruction in the play of Beckett to demystify the hostile complicity between literature and philosophy. With the interpretive paradigm of poststructuralism this research focuses on the text as a research data. It attempts to delineate the relationship between poststructuralist theoretical concerns and text of Beckett. Keeping in view the theoretical concerns of Poststructuralist theorist Jacques Derrida, the main concern of the discussion is directed towards the notion of ‘beyond’ language into the absences that are aimed at silencing the existing discourse with the ‘radical irony’ of this anti-formal art that contains its own denial and thus represents the idea of ceaseless questioning and radical contradiction in art and any text. This article asks how text of Beckett vibrates with loud silence and has disrupted language to demonstrate the emptiness of words and thus exploring the limitless void of absences. Beckett’s text resonates with silence and pause that is neither negation nor affirmation rather a poststructuralist’s suspension of reality that is ever changing with the undecidablity of all meanings. Within the theoretical notion of Derrida’s Différance this study interprets silence and pause in Beckett’s art. The silence and pause behave like Derrida’s Différance and have questioned their own existence in the text to deconstruct any definiteness and finality of reality to extend an undecidable threshold of poststructuralists that aims to evade the ‘labyrinth of language’.

Keywords: Différance, language, pause, poststructuralism, silence, text

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Authors: Yulin Zhang, Kaixi Dong, Guozhen Zhao

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Background: Different levels of life satisfaction are associated with some individual differences. Understanding the mechanism between them will help to enhance an individual’s well-being. On the one hand, traditional personality such as extraversion has been considered as the most stable and effective factor in predicting life satisfaction to the author’s best knowledge. On the other, individual emotional difference, such as alexithymia (difficulties identifying and describing one’s own feelings), is also closely related to life satisfaction. With the development of positive psychology, positive personalities such as virtues attract wide attention. And according to the broaden-and-build theory, social connectivity may mediate between emotion and life satisfaction. Therefore, the current study aims to explore the mediating role of social connectivity in the effect of positive personality and alexithymia on life satisfaction. Method: This study was conducted with 318 healthy Chinese college students whose age range from 18 to 30. Positive personality (including interpersonal, vitality, and cautiousness) was measured by the Chinese version of Values in Action Inventory of Strengths (VIA-IS). Alexithymia was measured by the Toronto Alexithymia Scale (TAS), and life satisfaction was measured by Satisfaction With Life Scale (SWLS). And social connectivity was measured by six items which have been used in previous studies. Each scale showed high reliability and validity. The mediating model was examined in Mplus 7.2 within a structural equation modeling (SEM) framework. Findings: The model fitted well and results revealed that both positive personality (95% confidence interval of indirect effect was [0.023, 0.097]) and alexithymia (95% confidence interval of indirect effect was [-0.270, -0.089]) predicted life satisfaction level significantly through social connectivity. Also, only positive personality significantly and directly predicted life satisfaction compared to alexithymia (95% confidence interval of direct effect was [0.109, 0.260]). Conclusion: Alexithymia predicts life satisfaction only through social connectivity, which emphasizes the importance of social bonding in enhancing the well-being of Chinese college students with alexithymia. And the positive personality can predict life satisfaction directly or through social connectivity, which provides implications for enhancing the well-being of Chinese college students by cultivating their virtue and positive psychological quality.

Keywords: alexithymia, life satisfaction, positive personality, social connectivity

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Authors: Francisco Fernandez de Castro

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The Conditional Cash Transfer (CCT) model gives monetary transfers to beneficiary families on the condition that they take specific education and health actions. According to the economic rationale of CCTs the poor need incentives to invest in their human capital because they are trapped by a lack of information and misleading beliefs. If left to their own decision, the poor will not be able to choose what is in their best interests. The basic assumption of the CCT model is that the poor need incentives to take care of their own education and health-nutrition. Due to the incentives (income cash transfers and conditionalities), beneficiary families are supposed to attend doctor visits and health talks. Children would stay in the school. These incentivized behaviors would produce outcomes such as better health and higher level of education, which in turn will reduce poverty. Based on a grounded theory approach to conduct a two-year period of qualitative data collection in northern Mexico, this study shows that this explanation is incomplete. In addition to the information failure and inadequate beliefs, there are structural barriers in everyday life of households that make health-nutrition and education investments difficult. In-depth interviews and observation work showed that the program takes for granted local conditions in which beneficiary families should fulfill their co-responsibilities. Data challenged the program’s assumptions and unveiled local obstacles not contemplated in the program’s design. These findings have policy and research implications for the CCT agenda. They bring elements for late programming due to the gap between the CCT strategy as envisioned by policy designers, and the program that beneficiary families experience on the ground. As for research consequences, these findings suggest new avenues for scholarly work regarding the causal mechanisms and social processes explaining CCT outcomes.

Keywords: conditional cash transfers, incentives, poverty, structural barriers

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Authors: Fan Wei, Tang Yipeng

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The outbreak of COVID-19 in early 2020 has been raging around the world, which has severely affected people's work and life. In today's post-pandemic era, although the pandemic has been effectively controlled, people still need to maintain social distancing at all times to prevent the further spread of the virus. Based on this, social distancing in the context of the pandemic has aroused widespread attention from scholars. At present, most studies exploring the influencing factors of social distancing are studying the negative impact of social distancing on the physical and mental state of special groups from the inter-individual level, and their more focus on the forced complete social distancing during the severe period of the pandemic. Few studies have focused on the impact of social distancing on working groups in the post-pandemic era from the within-individual level. In order to explore this problem, this paper constructs a cross-level moderating model based on resource conservation theory from the perspective of psychological resources. A total of 81 subjects were recruited to fill in the three-stage questionnaires each day for 10 working days, and 661valid questionnaires were finally obtained. Through the empirical tests, the following conclusions were finally obtained: (1) At the within-individual level, daily social distancing is positively correlated with the second day’s recovery, and the individual’s low sociability regulates the relationship between social distancing and recovery. The indirect effect of daily social distancing through recovery has positive relationship employees’ work engagement and work-goal progress only when the individual has low sociability. For individuals with high sociability, none of these paths are significant. (2) At the within-individual level, there is a significant relationship between individual's recovery and work engagement and work-goal progress, indicating that the recovery of resources can produce positive work outcomes. According to the results, this study believes that in the post-pandemic era, social distancing can not only effectively prevent and control the pandemic but also have positive impacts. Employees can use the time and energy originally saved for social activities through social distancing to invest in things that can provide resources and help them recover.

Keywords: social distancing, recovery, work engagement, work goal progress, sociability

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Authors: Çisem Gündüz Arabacı

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Deliberation has been seen one of the most important components of democratic ideals especially since liberal democratic attributions have been under fire. Deliberative democracy advocates that people should participate in collective decision-making processes by other mechanisms rather than conventional ones in order to reach legitimate decisions. Deliberative democratic theory makes emphasis on deliberative communication between people and encourages them not to merely express their political opinions (through surveys and referendum) but to form those opinions through public debates. This paper focuses on deliberative democratic visions of Gezi Park Public Forums by taking deliberative democracy as theoretical basis and examining Gezi Park Public Forums in the light of core elements of deliberative democracy. Gezi Movement started on 28 May 2013 in İstanbul as a reaction to local government's revision plans for Taksim Gezi Park, spread throughout the country and created new zones in public sphere which are called Public Park Forums. During the summer of 2013, especially in İstanbul but also in other cities, people gathered in public parks, discussed and took collective decisions concerning actions which they will take. It is worth to mention that since 3 and half years some Public Park Forums are still continuing their meetings regularly in city of İzmir. This paper analyzes four 'Public Park Forums' in İzmir which are called Bornova Public Forum; Karşıyaka Public Forum, Foça Public Forum and Güzelyalı Public Forum. These Forums are under investigation in terms of their understanding of democracy and the values that support that understanding. Participant observation and in-depth interview methods are being used as research methods. Core element of deliberative democracy are being collected under three main category: common interest versus private interest, membership, rational argument and these values are being questioning within one of each Forum in order to draw an overall picture and also make comparison between them. Discourse analysis is being used in order to examine empirical data and paper aims to reveal how participants of public forums perceive deliberative democratic values and whether they give weight to these values.

Keywords: deliberative democracy, Gezi Park movement, public forums, social movement

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Authors: Alessandra Rossodivita, Alexei Tikhomirov, Andrey Trufanov, Nikolay Kinash, Olga Berestneva, Svetlana Nikitina, Fabio Casati, Alessandro Visconti, Tommaso Saporito

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It is well known that world and national societies are exposed to diverse threats: anthropogenic, technological, and natural. Anthropogenic ones are of greater risks and, thus, attract special interest to researchers within wide spectrum of disciplines in efforts to lower the pertinent risks. Some researchers showed by means of multilayered, complex network models how media promotes the prevention of disease spread. To go further, not only are mass-media sources included in scope the paper suggests but also personificated social bots (socbots) linked according to reflexive theory. The novel scope considers information spread over conscious and unconscious agents while counteracting both natural and man-made threats, i.e., infections and terrorist hazards. Contrary to numerous publications on misinformation disseminated by ‘bad’ bots within social networks, this study focuses on ‘good’ bots, which should be mobilized to counter the former ones. These social bots deployed mixture with real social actors that are engaged in concerted actions at spreading, receiving and analyzing information. All the contemporary complex network platforms (multiplexes, interdependent networks, combined stem networks et al.) are comprised to describe and test socbots activities within competing information sharing tools, namely mass-media hubs, social networks, messengers, and e-mail at all phases of disasters. The scope and concomitant techniques present evidence that embedding such socbots into information sharing process crucially change the network topology of actor interactions. The change might improve or impair robustness of social network environment: it depends on who and how controls the socbots. It is demonstrated that the topological approach elucidates techno-social processes within the field and outline the roadmap to a safer world.

Keywords: complex network platform, counterterrorism, information sharing topology, social bots

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Authors: Alan Lai, Wilson Yik

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With rapid urbanization, there has been a dramatic increase in global urban population in Asia and over half of population in Asia will live in urban regions in the near future. Facing with increasing exposure to climate-related stresses and shocks, most of the Asian cities will very likely to experience more frequent heat waves and flooding with rising sea levels, particularly the coastal cities will grapple for intense typhoons and storm surges. These climate changes have severe impacts in urban areas at the costs of infrastructure and population, for example, human health, wellbeing and high risks of dengue fever, malaria and diarrheal disease. With the increasing prominence of adaptation to climate changes, there have been changes in corresponding policies. Smaller cities have greater potentials for integrating the concept of resilience into their infrastructure as well as keeping pace with their rapid growths in population. It is therefore important to explore the potentials of Asian cities adapting to climate change and the opportunities of building climate resilience in urban planning and building design. Furthermore, previous studies have mainly attempted at exploiting the potential of resilience on a macro-level within urban planning rather than that on micro-level within the context of individual building. The resilience of individual building as a research field has not yet been much explored. Nonetheless, recent studies define that the resilience of an individual building is the one which is able to respond to physical damage and recover from such damage in a quickly and cost-effectively manner, while maintain its primary functions. There is also a need to develop an assessment tool to evaluate the resilience on building scale which is still largely uninvestigated as it should be regarded as a basic function of a building. Due to the lack of literature reporting metric for assessing building resilience with sustainability, the research will be designed as a case study to provide insight into the issue. The aim of this research project is to encourage and assist in developing neighborhood climate resilience design strategies for Hong Kong so as to bridge the gap between difference scales and that between theory and practice.

Keywords: resilience cities, building resilience, resilient buildings and infrastructure, climate resilience, hot and humid southeast area, high-density cities

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Authors: Jinjun Jiang, Lianzhong Chen, Rui Xu

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The accurate of model attitude angel plays an important role on the aerodynamic test results in the wind tunnel test. The original method applies the spherical coordinate system transformation to obtain attitude angel calculation.The model attitude angel is obtained by coordinate transformation and spherical surface mapping applying the nominal attitude angel (the balance attitude angel in the wind tunnel coordinate system) indicated by the mechanism. First, the coordinate transformation of this method is not only complex but also difficult to establish the transformed relationship between the space coordinate systems especially after many steps of coordinate transformation, moreover it cannot realize the iterative calculation of the interference relationship between attitude angels; Second, during the calculate process to solve the problem the arc is approximately used to replace the straight line, the angel for the tangent value, and the inverse trigonometric function is applied. Therefore, in the calculation of attitude angel, the process is complex and inaccurate, which can be solved approximately when calculating small attack angel. However, with the advancing development of modern aerodynamic unsteady research, the aircraft tends to develop high or super large attack angel and unsteadyresearch field.According to engineering practice and vector theory, the concept of vector angel coordinate systemis proposed for the first time, and the vector angel coordinate system of attitude angel is established.With the iterative correction calculation and avoiding the problem of approximate and inverse trigonometric function solution, the model attitude calculation process is carried out in detail, which validates that the calculation accuracy and accuracy of model attitude angels are improved.Based on engineering and theoretical methods, a vector angel coordinate systemis established for the first time, which gives the transformation and angel definition relations between different flight attitude coordinate systems, that can accurately calculate the attitude angel of the corresponding coordinate systemand determine its direction, especially in the channel coupling calculation, the calculation of the attitude angel between the coordinate systems is only related to the angel, and has nothing to do with the change order s of the coordinate system, whichsimplifies the calculation process.

Keywords: attitude angel, angel vector coordinate system, iterative calculation, spherical coordinate system, wind tunnel test

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Authors: Helnaz Soltani, J. N. Reddy

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Presence of fluid medium interacting with a structure can lead to failure of the structure. Since developing efficient computational model for fluid-structure interaction (FSI) problems has broader impact to realistic problems encountered in aerospace industry, ship industry, oil and gas industry, and so on, one can find an increasing need to find a method in order to investigate the effect of fluid domain on structural response. A coupled finite element formulation of problems involving FSI issue is an accurate method to predict the response of structures in contact with a fluid medium. This study proposes a finite element approach in order to study the transient response of the structures interacting with a fluid medium. Since beam and plate are considered to be the fundamental elements of almost any structure, the developed method is applied to beams and plates benchmark problems in order to demonstrate its efficiency. The formulation is a combination of the various structure theories and the solid-fluid interface boundary condition, which is used to represent the interaction between the solid and fluid regimes. Here, three different beam theories as well as three different plate theories are considered to model the solid medium, and the Navier-Stokes equation is used as the theoretical equation governed the fluid domain. For each theory, a coupled set of equations is derived where the element matrices of both regimes are calculated by Gaussian quadrature integration. The main feature of the proposed methodology is to model the fluid domain as an added mass; the external distributed force due to the presence of the fluid. We validate the accuracy of such formulation by means of some numerical examples. Since the formulation presented in this study covers several theories in literature, the applicability of our proposed approach is independent of any structure geometry. The effect of varying parameters such as structure thickness ratio, fluid density and immersion depth, are studied using numerical simulations. The results indicate that maximum vertical deflection of the structure is affected considerably in the presence of a fluid medium.

Keywords: beam and plate, finite element analysis, fluid-structure interaction, transient response

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Authors: Moulay Driss Mellaoui, Khadija Zaki, Khalid Abbiche, Abdallah Imjjad, Rachid Boutiddar, Abdelouahid Sbai, Aaziz Jmiai, Souad El Issami, Al Mokhtar Lamsabhi, Hanane Zejli

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This study presents a comprehensive analysis of six isoxazolidine and isoxazoline derivatives, leveraging a multifaceted approach that combines Density Functional Theory (DFT), AdmetSAR analysis, and molecular docking simulations to explore their electronic, pharmacokinetic, and anticancer properties. Through DFT analysis, using the B3LYP-D3BJ functional and the 6-311++G(d,p) basis set, we optimized molecular geometries, analyzed vibrational frequencies, and mapped Molecular Electrostatic Potentials (MEP), identifying key sites for electrophilic attacks and hydrogen bonding. Frontier Molecular Orbital (FMO) analysis and Density of States (DOS) plots revealed varying stability levels among the compounds, with 1b, 2b, and 3b showing slightly higher stability. Chemical potential assessments indicated differences in binding affinities, suggesting stronger potential interactions for compounds 1b and 2b. AdmetSAR analysis predicted favorable human intestinal absorption (HIA) rates for all compounds, highlighting compound 3b superior oral effectiveness. Molecular docking and molecular dynamics simulations were conducted on isoxazolidine and 4-isoxazoline derivatives targeting the EGFR receptor (PDB: 1JU6). Molecular docking simulations confirmed the high affinity of these compounds towards the target protein 1JU6, particularly compound 3b, among the isoxazolidine derivatives, compound 3b exhibited the most favorable binding energy, with a g score of -8.50 kcal/mol. Molecular dynamics simulations over 100 nanoseconds demonstrated the stability and potential of compound 3b as a superior candidate for anticancer applications, further supported by structural analyses including RMSD, RMSF, Rg, and SASA values. This study underscores the promising role of compound 3b in anticancer treatments, providing a solid foundation for future drug development and optimization efforts.

Keywords: isoxazolines, DFT, molecular docking, molecular dynamic, ADMET, drugs.

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