Search results for: boundary layer theory
Commenced in January 2007
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Edition: International
Paper Count: 7963

Search results for: boundary layer theory

1603 Performative Acts Exhibited in Selected Ghanaian Newspaper Headlines

Authors: Charlotte Tetebea Asiamah

Abstract:

This paper sought to highlight the use of performative acts as exhibited in a Ghanaian newspaper headline; the Daily Graphic. The study categorically discusses and analyze thirty headlines on performative acts as captured in the month of June and July, 2024. The paper dwells on J.L Austin and J.R Searle’s theory of speech acts. Although a lot has been done in the area of performative acts, there is still a gap as far as newspaper headlines are concerned. Getting to know performative act’s stand in the domain of newspaper headlines will contribute to the discussion in literature thereby extending the scope of discourse as far as performative acts are concerned. Some of the questions for this study among others are; Do performative acts exhibited in newspaper headlines follow felicity conditions? Are the utterances explicitly stated or otherwise?A qualitative method approach was used in gathering and analyzing data. This approach was chosen in order to gain a depth insight of the study. The headlines were selected using the instrument of document analysis. Out of the numerous headlines, the researcher snapped over 60 headlines after which thirty (30) headlines were carefully selected for the study. The 30 newspaper headlines were purposively selected based on the element of performativity in them which were related to the study. Per the data, the findings depicted that, Performative Acts are exhibited in the Ghanaian Daily Graphic Newspaper headlines. The performative acts are expressed in all of the five categories of performative acts as J.R Searle discussed in his writing. These acts were seen in all the categories of the newspaper headlines; be it, governance or politics, social, international news and sports. It was also observed in the data that, directives were the most used performative act. The performative acts found in the newspaper headlines helped to grab readers attention, it also served as a way of influencing how readers perceive an utterance made by an individual in the headlines.

Keywords: explicit, headline, illocutionary, newspaper, performative

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1602 Determinants of the Users Intention of Social-Local-Mobile Applications

Authors: Chia-Chen Chen, Mu-Yen Chen

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In recent years, with the vigorous growth of hardware and software technologies of smart mobile devices coupling with the rapid increase of social network influence, mobile commerce also presents the commercial operation mode of the future mainstream. For the time being, SoLoMo has become one of the very popular commercial models, its full name and meaning mainly refer to that users can obtain three key service types through smart mobile devices (Mobile) and omnipresent network services, and then link to the social (Social) web site platform to obtain the information exchange, again collocating with position and situational awareness technology to get the service suitable for the location (Local), through anytime, anywhere and any personal use of different mobile devices to provide the service concept of seamless integration style, and more deriving infinite opportunities of the future. The study tries to explore the use intention of users with SoLoMo mobile application formula, proposing research model to integrate TAM, ISSM, IDT and network externality, and with questionnaires to collect data and analyze results to verify the hypothesis, results show that perceived ease-of-use (PEOU), perceived usefulness (PU), and network externality have significant impact on the use intention with SoLoMo mobile application formula, and the information quality, relative advantages and observability have impacts on the perceived usefulness, and further affecting the use intention.

Keywords: SoLoMo (social, local, and mobile), technology acceptance model, innovation diffusion theory, network externality

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1601 The Science of Dreaming and Sleep in Selected Charles Dickens' Novels and Letters

Authors: Olga Colbert

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The present work examines the representation of dreaming in Charles Dickens’ novels, particularly Oliver Twist. Dickens showed great interest in the science of dreaming and had ample knowledge of the latest dream theories in the Victorian era, as can be seen in his personal correspondence, most notably in his famous letter to Dr. Thomas Stone on 2/2/1851. This essay places Dickens’ personal writings side by side with his novels to elucidate whether the scientific paradigm about dreaming included in the novel is consistent with the current (in Dickens’ time) scientific knowledge, or whether it is anachronistic or visionary (ahead of his time). Oliver Twist is particularly useful because it contains entire passages pondering on the nature of dreaming, enumerating types of common dreams, and taking a stand on the interference of sensory perception during the dreaming state. The author is particularly intrigued by Dickens’ assumption of the commonality and universality of lucid dreaming as revealed in these passages. This essay places popular Victorian dream theories, such as those contained in Robert Macnish’s The Philosophy of Sleep, side by side with recent dream theory, particularly psychophysiologist Stephen LaBerge’s numerous articles and books on the topic of lucid dreaming to see if Dickens deviated in any way from the reigning paradigm of the Victorian era in his representation of dreaming in his novels. While Dickens puts to great narrative use many of the characteristics of dreaming described by leading Victorian theorists, the author of this study argues, however, that Dickens’ most visionary statements derive from his acute observations of his own dreaming experiences.

Keywords: consciousness, Dickens, dreaming, lucid dreaming, Victorian

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1600 Applying Serious Game Design Frameworks to Existing Games for Integration of Custom Learning Objectives

Authors: Jonathan D. Moore, Mark G. Reith, David S. Long

Abstract:

Serious games (SGs) have been shown to be an effective teaching tool in many contexts. Because of the success of SGs, several design frameworks have been created to expedite the process of making original serious games to teach specific learning objectives (LOs). Even with these frameworks, the time required to create a custom SG from conception to implementation can range from months to years. Furthermore, it is even more difficult to design a game framework that allows an instructor to create customized game variants supporting multiple LOs within the same field. This paper proposes a refactoring methodology to apply the theoretical principles from well-established design frameworks to a pre-existing serious game. The expected result is a generalized game that can be quickly customized to teach LOs not originally targeted by the game. This methodology begins by describing the general components in a game, then uses a combination of two SG design frameworks to extract the teaching elements present in the game. The identified teaching elements are then used as the theoretical basis to determine the range of LOs that can be taught by the game. This paper evaluates the proposed methodology by presenting a case study of refactoring the serious game Battlespace Next (BSN) to teach joint military capabilities. The range of LOs that can be taught by the generalized BSN are identified, and examples of creating custom LOs are given. Survey results from users of the generalized game are also provided. Lastly, the expected impact of this work is discussed and a road map for future work and evaluation is presented.

Keywords: serious games, learning objectives, game design, learning theory, game framework

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1599 Aural Skills Pedagogy for Students with Absolute Pitch

Authors: Rika Uchida

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In teaching sophomore level aural skills, I have dealt with students with absolute pitch do poorly in my courses, particularly in harmonic dictation. They can identify triads; however, identifying quality of seventh chords or chromatic chords poses serious challenges. Most often, they need to spell all the pitches before identifying the chord qualities and Roman Numerals. Growing up in a country where acquiring absolute pitch is considered essential, I started my early music training with fixed do system at age three and learned all my music with solfege. When I was assigned as a TA in aural skills courses at graduate school in US, I had to learn relative pitch quickly. My survival method was listening to music with absolute pitch first, then quickly "translate" to relative pitch. In teaching my courses, I have been using chord progressions (5-8 chords total), in which students are asked to sing chord arpeggiation with movable do solfege. I use same progressions for harmonic dictation; I hoped that students learn to incorporate singing and listening skills by overlapping same materials. This method has proven to be successful for most students; in particular, it has helped students with absolute pitch to hear chord quality and function. Although original progressions are written in C as a tonic, they can identify chords in harmonic dictation in other keys as well. In short, I believe singing chord progression with movable do arpeggiation helps students with absolute pitch to improve hearing function and quality of chords in harmonic dictation.

Keywords: aural skills pedagogy, music theory, absolute pitch, harmonic dictation

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1598 Nanostructured Multi-Responsive Coatings for Tuning Surface Properties

Authors: Suzanne Giasson, Alberto Guerron

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Stimuli-responsive polymer coatings can be used as functional elements in nanotechnologies, such as valves in microfluidic devices, as membranes in biomedical engineering, as substrates for the culture of biological tissues or in developing nanomaterials for targeted therapies in different diseases. However, such coatings usually suffer from major shortcomings, such as a lack of selectivity and poor environmental stability. The study will present multi-responsive hierarchical and hybrid polymer-based coatings aiming to overcome some of these limitations. Hierarchical polymer coatings, consisting of two-dimensional arrays of thermo-responsive cationic PNIPAM-based microgels and surface-functionalized with non-responsive or pH-responsive polymers, were covalently grafted to substrates to tune the surface chemistry and the elasticity of the surface independently using different stimuli. The characteristic dimensions (i.e., layer thickness) and surface properties (i.e., adhesion, friction) of the microgel coatings were assessed using the Surface Forces Apparatus. The ability to independently control the swelling and surface properties using temperature and pH as triggers were investigated for microgels in aqueous suspension and microgels immobilized on substrates. Polymer chain grafting did not impede the ability of cationic PNIPAM microgels to undergo a volume phase transition above the VPTT, either in suspension or immobilized on a substrate. Due to the presence of amino groups throughout the entirety of the microgel polymer network, the swelling behavior was also pH dependent. However, the thermo-responsive swelling was more significant than the pH-triggered one. The microgels functionalized with PEG exhibited the most promising behavior. Indeed, the thermo-triggered swelling of microgel-co-PEG did not give rise to changes in the microgel surface properties (i.e., surface potential and adhesion) within a wide range of pH values. It was possible for the immobilized microgel-co-PEG to undergo a volume transition (swelling/shrinking) with no change in adhesion, suggesting that the surface of the thermal-responsive microgels remains rather hydrophilic above the VPTT. This work confirms the possibility of tuning the swelling behavior of microgels without changing the adhesive properties. Responsive surfaces whose swelling properties can be reversibly and externally altered over space and time regardless of the surface chemistry are very innovative and will enable revolutionary advances in technologies, particularly in biomedical surface engineering and microfluidics, where advanced assembly of functional components is increasingly required.

Keywords: responsive materials, polymers, surfaces, cell culture

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1597 Bilateral Relations in Matter of Defense between Argentina-United States and Argentina-China along the Period 2005-2015: Advice to Develop a Rational Defense Foreign Policy for Peripheral Countries

Authors: Alvarez Magañini, María Victoria-Rubbi, Lautaro Nahuel

Abstract:

At present, we are facing an unstable international context, conditioned by a relative decline of the US power, primarily in the economic sphere and, to a lesser extent, in the military sphere. This scenario of multipolarity creates tension and uncertainty in the peripheral countries when the issue of their foreign policy arises. This paper presents an analysis of the bilateral relations that were maintained by the Argentine Republic, a peripheral country, along with the United States and China during the period of 2005-2015 in matters of defense in order to identify the empirical consequences resulted from the Argentine actions. Based on the conceptual framework of Peripheral Realism, we analyze indicators related to the weapon trade, defense loans, joint exercises, and personnel training, among others. There will also be a comparative analysis of the conventional military forces of the two powers in question, United States and China. As a conclusion, the cost of having closer relations with China instead of the United States in the defense agenda has been clearly higher than the benefits obtained. The conclusions drawn are empirically aligned with the theoretical paradigm of peripheral realism. Although there are certain conceptual and methodological digressions, these conclusions they could be useful to update and adapt the theory to the current complex international scenario.

Keywords: China, United States, Argentine, peripheral country, peripheral realism

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1596 The Effects of Self-Efficacy on Challenge and Threat States

Authors: Nadine Sammy, Mark Wilson, Samuel Vine

Abstract:

The Theory of Challenge and Threat States in Athletes (TCTSA) states that self-efficacy is an antecedent of challenge and threat. These states result from conscious and unconscious evaluations of situational demands and personal resources and are represented by both cognitive and physiological markers. Challenge is considered a more adaptive stress response as it is associated with a more efficient cardiovascular profile, as well as better performance and attention effects compared with threat. Self-efficacy is proposed to influence challenge/threat because an individual’s belief that they have the skills necessary to execute the courses of action required to succeed contributes to a perception that they can cope with the demands of the situation. This study experimentally examined the effects of self-efficacy on cardiovascular responses (challenge and threat), demand and resource evaluations, performance and attention under pressurised conditions. Forty-five university students were randomly assigned to either a control (n=15), low self-efficacy (n=15) or high self-efficacy (n=15) group and completed baseline and pressurised golf putting tasks. Self-efficacy was manipulated using false feedback adapted from previous studies. Measures of self-efficacy, cardiovascular reactivity, demand and resource evaluations, task performance and attention were recorded. The high self-efficacy group displayed more favourable cardiovascular reactivity, indicative of a challenge state, compared with the low self-efficacy group. The former group also reported high resource evaluations, but no task performance or attention effects were detected. These findings demonstrate that levels of self-efficacy influence cardiovascular reactivity and perceptions of resources under pressurised conditions.

Keywords: cardiovascular, challenge, performance, threat

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1595 Hybrid Intelligent Optimization Methods for Optimal Design of Horizontal-Axis Wind Turbine Blades

Authors: E. Tandis, E. Assareh

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Designing the optimal shape of MW wind turbine blades is provided in a number of cases through evolutionary algorithms associated with mathematical modeling (Blade Element Momentum Theory). Evolutionary algorithms, among the optimization methods, enjoy many advantages, particularly in stability. However, they usually need a large number of function evaluations. Since there are a large number of local extremes, the optimization method has to find the global extreme accurately. The present paper introduces a new population-based hybrid algorithm called Genetic-Based Bees Algorithm (GBBA). This algorithm is meant to design the optimal shape for MW wind turbine blades. The current method employs crossover and neighborhood searching operators taken from the respective Genetic Algorithm (GA) and Bees Algorithm (BA) to provide a method with good performance in accuracy and speed convergence. Different blade designs, twenty-one to be exact, were considered based on the chord length, twist angle and tip speed ratio using GA results. They were compared with BA and GBBA optimum design results targeting the power coefficient and solidity. The results suggest that the final shape, obtained by the proposed hybrid algorithm, performs better compared to either BA or GA. Furthermore, the accuracy and speed convergence increases when the GBBA is employed

Keywords: Blade Design, Optimization, Genetic Algorithm, Bees Algorithm, Genetic-Based Bees Algorithm, Large Wind Turbine

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1594 Detection of Curvilinear Structure via Recursive Anisotropic Diffusion

Authors: Sardorbek Numonov, Hyohun Kim, Dongwha Shin, Yeonseok Kim, Ji-Su Ahn, Dongeun Choi, Byung-Woo Hong

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The detection of curvilinear structures often plays an important role in the analysis of images. In particular, it is considered as a crucial step for the diagnosis of chronic respiratory diseases to localize the fissures in chest CT imagery where the lung is divided into five lobes by the fissures that are characterized by linear features in appearance. However, the characteristic linear features for the fissures are often shown to be subtle due to the high intensity variability, pathological deformation or image noise involved in the imaging procedure, which leads to the uncertainty in the quantification of anatomical or functional properties of the lung. Thus, it is desired to enhance the linear features present in the chest CT images so that the distinctiveness in the delineation of the lobe is improved. We propose a recursive diffusion process that prefers coherent features based on the analysis of structure tensor in an anisotropic manner. The local image features associated with certain scales and directions can be characterized by the eigenanalysis of the structure tensor that is often regularized via isotropic diffusion filters. However, the isotropic diffusion filters involved in the computation of the structure tensor generally blur geometrically significant structure of the features leading to the degradation of the characteristic power in the feature space. Thus, it is required to take into consideration of local structure of the feature in scale and direction when computing the structure tensor. We apply an anisotropic diffusion in consideration of scale and direction of the features in the computation of the structure tensor that subsequently provides the geometrical structure of the features by its eigenanalysis that determines the shape of the anisotropic diffusion kernel. The recursive application of the anisotropic diffusion with the kernel the shape of which is derived from the structure tensor leading to the anisotropic scale-space where the geometrical features are preserved via the eigenanalysis of the structure tensor computed from the diffused image. The recursive interaction between the anisotropic diffusion based on the geometry-driven kernels and the computation of the structure tensor that determines the shape of the diffusion kernels yields a scale-space where geometrical properties of the image structure are effectively characterized. We apply our recursive anisotropic diffusion algorithm to the detection of curvilinear structure in the chest CT imagery where the fissures present curvilinear features and define the boundary of lobes. It is shown that our algorithm yields precise detection of the fissures while overcoming the subtlety in defining the characteristic linear features. The quantitative evaluation demonstrates the robustness and effectiveness of the proposed algorithm for the detection of fissures in the chest CT in terms of the false positive and the true positive measures. The receiver operating characteristic curves indicate the potential of our algorithm as a segmentation tool in the clinical environment. This work was supported by the MISP(Ministry of Science and ICT), Korea, under the National Program for Excellence in SW (20170001000011001) supervised by the IITP(Institute for Information and Communications Technology Promotion).

Keywords: anisotropic diffusion, chest CT imagery, chronic respiratory disease, curvilinear structure, fissure detection, structure tensor

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1593 Land Suitability Analysis Based on Ecosystems Service Approach for Wind Farm Location in South-Central Chile: Net Primary Production as Proxy

Authors: Yenisleidy Martínez-Martínez, Yannay Casas-Ledón, Jo Dewulf

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Wind power constitutes a cleaner energy source with smaller unfavorable impacts on the environment than fossil fuels. Its development could be an alternative to fight climate change while meeting energy demands. However, wind energy development requires first determining the existing potential and areas with aptitude. Also, potential socio-economic and environmental impacts should be analyzed to prevent social rejection of this technology. In this context, this work performs a suitability assessment on a GIS environment to locate suitable areas for wind energy expansion in South-Central Chile. In addition, suitable areas were characterized in terms of potential goods and services to be produced as a proxy for analyzing potential impacts and trade-offs. First, layers of annual wind speed were generated as they represent the resource potential, and layer representing previously defined territorial constraints were created. Zones depicting territorial constraints were removed from resource measurement layers to identify suitable sites. Then, the appropriation of the primary production in suitable sites was determined to measure potential ecosystem services derived from human interventions in those areas. Results show that approximately 52% of the total surface of the study area has a good aptitude to install wind farms. In this area, provisioning services like food crops production, timber, and other forest resources like firewood play a key role in the regional economy and thus are the main cause of human interventions. This is reflected by human appropriation of the primary production values of 0.71 KgC/m².yr, 0.36 KgC/m².yr, and 0.14 KgC/m².yr, respectively. In this sense, wind energy development could be compatible with croplands, which is the predominant land use in suitable areas, and provide farmers with cheaper energy and extra income. Also, studies have reported changes in local temperature associated with wind turbines, which could be beneficial to crop growth. The results obtained in this study prove to be useful for identifying available areas for wind development, which could be very useful in decision-making processes related to energy planning.

Keywords: net primary productivity, provisioning services, suitability assessment, wind energy

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1592 Chemical Pollution of Water: Waste Water, Sewage Water, and Pollutant Water

Authors: Nabiyeva Jamala

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We divide water into drinking, mineral, industrial, technical and thermal-energetic types according to its use and purpose. Drinking water must comply with sanitary requirements and norms according to organoleptic devices and physical and chemical properties. Mineral water - must comply with the norms due to some components having therapeutic properties. Industrial water must fulfill its normative requirements by being used in the industrial field. Technical water should be suitable for use in the field of agriculture, household, and irrigation, and the normative requirements should be met. Heat-energy water is used in the national economy, and it consists of thermal and energy water. Water is a filter-accumulator of all types of pollutants entering the environment. This is explained by the fact that it has the property of dissolving compounds of mineral and gaseous water and regular water circulation. Environmentally clean, pure, non-toxic water is vital for the normal life activity of humans, animals and other living beings. Chemical pollutants enter water basins mainly with wastewater from non-ferrous and ferrous metallurgy, oil, gas, chemical, stone, coal, pulp and paper and forest materials processing industries and make them unusable. Wastewater from the chemical, electric power, woodworking and machine-building industries plays a huge role in the pollution of water sources. Chlorine compounds, phenols, and chloride-containing substances have a strong lethal-toxic effect on organisms when mixed with water. Heavy metals - lead, cadmium, mercury, nickel, copper, selenium, chromium, tin, etc. water mixed with ingredients cause poisoning in humans, animals and other living beings. Thus, the mixing of selenium with water causes liver diseases in people, the mixing of mercury with the nervous system, and the mixing of cadmium with kidney diseases. Pollution of the World's ocean waters and other water basins with oil and oil products is one of the most dangerous environmental problems facing humanity today. So, mixing even the smallest amount of oil and its products in drinking water gives it a bad, unpleasant smell. Mixing one ton of oil with water creates a special layer that covers the water surface in an area of 2.6 km2. As a result, the flood of light, photosynthesis and oxygen supply of water is getting weak and there is a great danger to the lives of living beings.

Keywords: chemical pollutants, wastewater, SSAM, polyacrylamide

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1591 Grammatical Forms and Functions in Selected Political Interviews of Nigerian Presidential Aspirants in 2015 General Election

Authors: Temitope Abiodun Balogun

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Political interviews are one of the ways by which political office-seekers in Nigeria sell themselves to the electorates. Extant studies have examined the discourse of political interviews from conversational, philosophical, rhetorical, stylistic and pragmatic perspectives with insufficient attention paid to grammatical forms and communicative intentions of the interviews granted by the two presidential aspirants in the 2015 Nigerian general election. This study fills this scholarly gap to unmask their grammatical forms and communicative styles, intention and credibility. The paper adopts Halliday’s Systemic Functional Grammar, specifically interpersonal function coupled with Searle’s Model of Speech Acts Theory as a theoretical framework. A total of six interviews granted by the two presidential aspirants in media serve as the source of data. It is discovered that, in most cases, politicians’ communicative intention is to “pull-down” their political opponents. While declarative and interrogatives are simple, direct and straightforward, the intention is to condemn, lambast and castigate their opponents. This communicative style does not allow the general populace to decipher the political manifestoes of the political aspirants and the party they represent. The paper recommends that before Nigeria can boast of any sustainable growth and development, there is the need for her political office-seekers to adopt effective communication strategies and styles to unveil their intention and manifestoes so that electorates can evaluate their performance after their tenure of office.

Keywords: general election, grammatical forms and function, political interviews, presidential aspirants

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1590 Establishing a Change Management Model for Precision Machinery Industry in Taiwan

Authors: Feng-Tsung Cheng, Shu-Li Wang, Mei-Fang Wu, , Hui-Yu Chuang

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Due to the rapid development of modern technology, the widespread usage of the Internet makes business environment changing quickly. In order to be a leader in the global competitive market and to pursuit survive, “changing” becomes an unspoken rules need to follow for the company survival. The purpose of this paper is to build change model by using SWOT, strategy map, and balance scorecard, KPI and change management theory. The research findings indicate that organizational change plan formulated by the case company should require the employee to resist change factors and performance management system issues into consideration and must be set organizational change related programs, such as performance appraisal reward system, consulting and counseling mechanisms programs to improve motivation and reduce staff negative emotions. Then according to the model revised strategy maps and performance indicators proposed in this paper, such as strategy maps add and modify corporate culture, improve internal processes management, increase the growth rate of net income and other strategies. The performance indicators are based on strategy maps new and modified by adding net income growth rate, to achieve target production rate, manpower training achievement rates and other indicators, through amendments to achieve the company’s goal, be a leading brand of precision machinery industry.

Keywords: organizational change, SWOT analysis, strategy maps, performance indicators

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1589 The Effect of Career Decision Self Efficacy on Coping with Career Indecision among Young Adults

Authors: Yuliya Lipshits-Braziler

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For many young adults, career decision making is a difficult and complex process that may lead to indecision. Indecision is frequently associated with great psychological distress and low levels of well-being. One important resource for dealing with indecision is career decision self-efficacy (CDSE), which refers to people’s beliefs about their ability to successfully accomplish certain tasks involved in career choice. Drawing from Social Cognitive Theory, it has been hypothesized that CDSE correlates with (a) people’s likelihood to engage in or avoid career decision making tasks, (b) the amount of effort put into the decision making process, (c) the people’s persistence in decision making efforts when faced with difficulties, and (d) the eventual success in arriving at career decisions. Based on these assumptions, the present study examines the associations between the CDSE and 14 strategies for coping with career indecision among young adults. Using the structural equation modeling (SEM), the results showed that CDSE is positively associated with the use of productive coping strategies, such as information-seeking, problem-solving, positive thinking, and self-regulation. In addition, CDSE was negatively associated with nonproductive coping strategies, such as avoidance, isolation, ruminative thinking, and blaming others. Contrary to our expectations, CDSE was not significantly correlated with instrumental help-seeking, while it was negatively correlated with emotional help-seeking. The results of this study can be used to facilitate the development of interventions aiming to reinforce young adults’ career decision making self-efficacy, which may provide them with a basis for overcoming career indecision more effectively.

Keywords: career decision self-efficacy, career indecision, coping strategies, career counseling

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1588 The Rational Design of Original Anticancer Agents Using Computational Approach

Authors: Majid Farsadrooh, Mehran Feizi-Dehnayebi

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Serum albumin is the most abundant protein that is present in the circulatory system of a wide variety of organisms. Although it is a significant macromolecule, it can contribute to osmotic blood pressure and also, plays a superior role in drug disposition and efficiency. Molecular docking simulation can improve in silico drug design and discovery procedures to propound a lead compound and develop it from the discovery step to the clinic. In this study, the molecular docking simulation was applied to select a lead molecule through an investigation of the interaction of the two anticancer drugs (Alitretinoin and Abemaciclib) with Human Serum Albumin (HSA). Then, a series of new compounds (a-e) were suggested using lead molecule modification. Density functional theory (DFT) including MEP map and HOMO-LUMO analysis were used for the newly proposed compounds to predict the reactivity zones on the molecules, stability, and chemical reactivity. DFT calculation illustrated that these new compounds were stable. The estimated binding free energy (ΔG) values for a-e compounds were obtained as -5.78, -5.81, -5.95, -5,98, and -6.11 kcal/mol, respectively. Finally, the pharmaceutical properties and toxicity of these new compounds were estimated through OSIRIS DataWarrior software. The results indicated no risk of tumorigenic, irritant, or reproductive effects and mutagenicity for compounds d and e. As a result, compounds d and e, could be selected for further study as potential therapeutic candidates. Moreover, employing molecular docking simulation with the prediction of pharmaceutical properties helps to discover new potential drug compounds.

Keywords: drug design, anticancer, computational studies, DFT analysis

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1587 On the Semantics and Pragmatics of 'Be Able To': Modality and Actualisation

Authors: Benoît Leclercq, Ilse Depraetere

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The goal of this presentation is to shed new light on the semantics and pragmatics of be able to. It presents the results of a corpus analysis based on data from the BNC (British National Corpus), and discusses these results in light of a specific stance on the semantics-pragmatics interface taking into account recent developments. Be able to is often discussed in relation to can and could, all of which can be used to express ability. Such an onomasiological approach often results in the identification of usage constraints for each expression. In the case of be able to, it is the formal properties of the modal expression (unlike can and could, be able to has non-finite forms) that are in the foreground, and the modal expression is described as the verb that conveys future ability. Be able to is also argued to expressed actualised ability in the past (I was able/could to open the door). This presentation aims to provide a more accurate pragmatic-semantic profile of be able to, based on extensive data analysis and one that is embedded in a very explicit view on the semantics-pragmatics interface. A random sample of 3000 examples (1000 for each modal verb) extracted from the BNC was analysed to account for the following issues. First, the challenge is to identify the exact semantic range of be able to. The results show that, contrary to general assumption, be able to does not only express ability but it shares most of the root meanings usually associated with the possibility modals can and could. The data reveal that what is called opportunity is, in fact, the most frequent meaning of be able to. Second, attention will be given to the notion of actualisation. It is commonly argued that be able to is the preferred form when the residue actualises: (1) The only reason he was able to do that was because of the restriction (BNC, spoken) (2) It is only through my imaginative shuffling of the aces that we are able to stay ahead of the pack. (BNC, written) Although this notion has been studied in detail within formal semantic approaches, empirical data is crucially lacking and it is unclear whether actualisation constitutes a conventional (and distinguishing) property of be able to. The empirical analysis provides solid evidence that actualisation is indeed a conventional feature of the modal. Furthermore, the dataset reveals that be able to expresses actualised 'opportunities' and not actualised 'abilities'. In the final part of this paper, attention will be given to the theoretical implications of the empirical findings, and in particular to the following paradox: how can the same expression encode both modal meaning (non-factual) and actualisation (factual)? It will be argued that this largely depends on one's conception of the semantics-pragmatics interface, and that this need not be an issue when actualisation (unlike modality) is analysed as a generalised conversational implicature and thus is considered part of the conventional pragmatic layer of be able to.

Keywords: Actualisation, Modality, Pragmatics, Semantics

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1586 Kinetic Studies on CO₂ Gasification of Low and High Ash Indian Coals in Context of Underground Coal Gasification

Authors: Geeta Kumari, Prabu Vairakannu

Abstract:

Underground coal gasification (UCG) technology is an efficient and an economic in-situ clean coal technology, which converts unmineable coals into calorific valuable gases. This technology avoids ash disposal, coal mining, and storage problems. CO₂ gas can be a potential gasifying medium for UCG. CO₂ is a greenhouse gas and, the liberation of this gas to the atmosphere from thermal power plant industries leads to global warming. Hence, the capture and reutilization of CO₂ gas are crucial for clean energy production. However, the reactivity of high ash Indian coals with CO₂ needs to be assessed. In the present study, two varieties of Indian coals (low ash and high ash) are used for thermogravimetric analyses (TGA). Two low ash north east Indian coals (LAC) and a typical high ash Indian coal (HAC) are procured from the coal mines of India. Low ash coal with 9% ash (LAC-1) and 4% ash (LAC-2) and high ash coal (HAC) with 42% ash are used for the study. TGA studies are carried out to evaluate the activation energy for pyrolysis and gasification of coal under N₂ and CO₂ atmosphere. Coats and Redfern method is used to estimate the activation energy of coal under different temperature regimes. Volumetric model is assumed for the estimation of the activation energy. The activation energy estimated under different temperature range. The inherent properties of coals play a major role in their reactivity. The results show that the activation energy decreases with the decrease in the inherent percentage of coal ash due to the ash layer hindrance. A reverse trend was observed with volatile matter. High volatile matter of coal leads to the estimation of low activation energy. It was observed that the activation energy under CO₂ atmosphere at 400-600°C is less as compared to N₂ inert atmosphere. At this temperature range, it is estimated that 15-23% reduction in the activation energy under CO₂ atmosphere. This shows the reactivity of CO₂ gas with higher hydrocarbons of the coal volatile matters. The reactivity of CO₂ with the volatile matter of coal might occur through dry reforming reaction in which CO₂ reacts with higher hydrocarbon, aromatics of the tar content. The observed trend of Ea in the temperature range of 150-200˚C and 400-600˚C is HAC > LAC-1 >LAC-2 in both N₂ and CO₂ atmosphere. At the temperature range of 850-1000˚C, higher activation energy is estimated when compared to those values in the temperature range of 400-600°C. Above 800°C, char gasification through Boudouard reaction progressed under CO₂ atmosphere. It was observed that 8-20 kJ/mol of activation energy is increased during char gasification above 800°C compared to volatile matter pyrolysis between the temperature ranges of 400-600°C. The overall activation energy of the coals in the temperature range of 30-1000˚C is higher in N₂ atmosphere than CO₂ atmosphere. It can be concluded that higher hydrocarbons such as tar effectively undergoes cracking and reforming reactions in presence of CO₂. Thus, CO₂ gas is beneficial for the production of high calorific value syngas using high ash Indian coals.

Keywords: clean coal technology, CO₂ gasification, activation energy, underground coal gasification

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1585 Trust: The Enabler of Knowledge-Sharing Culture in an Informal Setting

Authors: Emmanuel Ukpe, S. M. F. D. Syed Mustapha

Abstract:

Trust in an organization has been perceived as one of the key factors behind knowledge sharing, mainly in an unstructured work environment. In an informal working environment, to instill trust among individuals is a challenge and even more in the virtual environment. The study has contributed in developing the framework for building trust in an unstructured organization in performing knowledge sharing in a virtual environment. The artifact called KAPE (Knowledge Acquisition, Processing, and Exchange) was developed for knowledge sharing for the informal organization where the framework was incorporated. It applies to Cassava farmers to facilitate knowledge sharing using web-based platform. A survey was conducted; data were collected from 382 farmers from 21 farm communities. Multiple regression technique, Cronbach’s Alpha reliability test; Tukey’s Honestly significant difference (HSD) analysis; one way Analysis of Variance (ANOVA), and all trust acceptable measures (TAM) were used to test the hypothesis and to determine noteworthy relationships. The results show a significant difference when there is a trust in knowledge sharing between farmers, the ones who have high in trust acceptable factors found in the model (M = 3.66 SD = .93) and the ones who have low on trust acceptable factors (M = 2.08 SD = .28), (t (48) = 5.69, p = .00). Furthermore, when applying Cognitive Expectancy Theory, the farmers with cognitive-consonance show higher level of trust and satisfaction with knowledge and information from KAPE, as compared with a low level of cognitive-dissonance. These results imply that the adopted trust model KAPE positively improved knowledge sharing activities in an informal environment amongst rural farmers.

Keywords: trust, knowledge, sharing, knowledge acquisition, processing and exchange, KAPE

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1584 Solar Power Forecasting for the Bidding Zones of the Italian Electricity Market with an Analog Ensemble Approach

Authors: Elena Collino, Dario A. Ronzio, Goffredo Decimi, Maurizio Riva

Abstract:

The rapid increase of renewable energy in Italy is led by wind and solar installations. The 2017 Italian energy strategy foresees a further development of these sustainable technologies, especially solar. This fact has resulted in new opportunities, challenges, and different problems to deal with. The growth of renewables allows to meet the European requirements regarding energy and environmental policy, but these types of sources are difficult to manage because they are intermittent and non-programmable. Operationally, these characteristics can lead to instability on the voltage profile and increasing uncertainty on energy reserve scheduling. The increasing renewable production must be considered with more and more attention especially by the Transmission System Operator (TSO). The TSO, in fact, every day provides orders on energy dispatch, once the market outcome has been determined, on extended areas, defined mainly on the basis of power transmission limitations. In Italy, six market zone are defined: Northern-Italy, Central-Northern Italy, Central-Southern Italy, Southern Italy, Sardinia, and Sicily. An accurate hourly renewable power forecasting for the day-ahead on these extended areas brings an improvement both in terms of dispatching and reserve management. In this study, an operational forecasting tool of the hourly solar output for the six Italian market zones is presented, and the performance is analysed. The implementation is carried out by means of a numerical weather prediction model, coupled with a statistical post-processing in order to derive the power forecast on the basis of the meteorological projection. The weather forecast is obtained from the limited area model RAMS on the Italian territory, initialized with IFS-ECMWF boundary conditions. The post-processing calculates the solar power production with the Analog Ensemble technique (AN). This statistical approach forecasts the production using a probability distribution of the measured production registered in the past when the weather scenario looked very similar to the forecasted one. The similarity is evaluated for the components of the solar radiation: global (GHI), diffuse (DIF) and direct normal (DNI) irradiation, together with the corresponding azimuth and zenith solar angles. These are, in fact, the main factors that affect the solar production. Considering that the AN performance is strictly related to the length and quality of the historical data a training period of more than one year has been used. The training set is made by historical Numerical Weather Prediction (NWP) forecasts at 12 UTC for the GHI, DIF and DNI variables over the Italian territory together with corresponding hourly measured production for each of the six zones. The AN technique makes it possible to estimate the aggregate solar production in the area, without information about the technologic characteristics of the all solar parks present in each area. Besides, this information is often only partially available. Every day, the hourly solar power forecast for the six Italian market zones is made publicly available through a website.

Keywords: analog ensemble, electricity market, PV forecast, solar energy

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1583 Ab Initio Calculations of Structure and Elastic Properties of BexZn1−xO Alloys

Authors: S. Lakel, F. Elhamra, M. Ibrir, K. Almi

Abstract:

There is a growing interest in Zn1-xBexO (ZBO)/ZnO hetero structures and quantum wells since the band gap energy of Zn1-xBexO solid solutions can be turned over a very large range (3.37–10.6 eV) as a function of the Be composition. ZBO/ZnO has been utilized in ultraviolet light emission diodes and lasers, and may find applications as active elements of various other electronic and optoelectronic devices. Band gap engineering by Be substitution enables the facile preparation of barrier layers and quantum wells in device structures. In addition, ZnO and its ternary alloys, as piezoelectric semiconductors, have been used for high-frequency surface acoustic wave devices in wireless communication systems due to their high acoustic velocities and large electromechanical coupling. However, many important parameters such as elastic constants, bulk modulus, Young’s modulus and band-gap bowing. First-principles calculations of the structural, electrical and elastic properties of Zn1-xBexO as a function of the Be concentration x have been performed within density functional theory using norm-conserving pseudopotentials and local density approximation (LDA) for the exchange and correlation energy. The alloys’ lattice constants may deviate from the Vegard law. As Be concentration increases, the elastic constants, the bulk modulus and Young’s modulus of the alloys increase, the band gap increases with increasing Be concentration and Zn1-xBexO alloys have direct band. Our calculated results are in good agreement with experimental data and other theoretical calculations.

Keywords: DFT calculation, norm-conserving pseudopotentials, ZnBeO alloys, ZnO

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1582 Multimodal Sentiment Analysis With Web Based Application

Authors: Shreyansh Singh, Afroz Ahmed

Abstract:

Sentiment Analysis intends to naturally reveal the hidden mentality that we hold towards an entity. The total of this assumption over a populace addresses sentiment surveying and has various applications. Current text-based sentiment analysis depends on the development of word embeddings and Machine Learning models that take in conclusion from enormous text corpora. Sentiment Analysis from text is presently generally utilized for consumer loyalty appraisal and brand insight investigation. With the expansion of online media, multimodal assessment investigation is set to carry new freedoms with the appearance of integral information streams for improving and going past text-based feeling examination using the new transforms methods. Since supposition can be distinguished through compelling follows it leaves, like facial and vocal presentations, multimodal opinion investigation offers good roads for examining facial and vocal articulations notwithstanding the record or printed content. These methodologies use the Recurrent Neural Networks (RNNs) with the LSTM modes to increase their performance. In this study, we characterize feeling and the issue of multimodal assessment investigation and audit ongoing advancements in multimodal notion examination in various spaces, including spoken surveys, pictures, video websites, human-machine, and human-human connections. Difficulties and chances of this arising field are additionally examined, promoting our theory that multimodal feeling investigation holds critical undiscovered potential.

Keywords: sentiment analysis, RNN, LSTM, word embeddings

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1581 Animation: A Footpath for Enhanced Awareness Creation on Malaria Prevention in Rural Communities

Authors: Stephen Osei Akyiaw, Divine Kwabena Atta Kyere-Owusu

Abstract:

Malaria has been a worldwide menace of a health condition to human beings for several decades with majority of people on the African continent with most causalities where Ghana is no exception. Therefore, this study employed the use of animation to enhance awareness creation on the spread and prevention of Malaria in Effutu Communities in the Central Region of Ghana. Working with the interpretivist paradigm, this study adopted Art-Based Research, where the AIDA Model and Cognitive Theory of Multimedia Learning (CTML) served as the theories underpinning the study. Purposive and convenience sampling techniques were employed in selecting sample for the study. The data collection instruments included document review and interviews. Besides, the study developed an animation using the local language of the people as the voice over to foster proper understanding by the rural community folks. Also, indigenous characters were used for the animation for the purpose of familiarization with the local folks. The animation was publicized at Health Town Halls within the communities. The outcomes of the study demonstrated that the use of animation was effective in enhancing the awareness creation for preventing and controlling malaria disease in rural communities in Effutu Communities in the Central Region of Ghana. Health officers and community folks expressed interest and desire to practice the preventive measures outlined in the animation to help reduce the spread of Malaria in their communities. The study, therefore, recommended that animation could be used to curtail the spread and enhanced the prevention of Malaria.

Keywords: malaria, animation, prevention, communities

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1580 Techno-Apocalypse in Christian End-Time Literature

Authors: Sean O'Callaghan

Abstract:

Around 2011/2012, a whole new genre of Christian religious writing began to emerge, focused on the role of advanced technologies, particularly the GRIN technologies (Genetics, Robotics, Information Technology and Nanotechnology), in bringing about a techno-apocalypse, leading to catastrophic events which would usher in the end of the world. This genre, at first niche, has now begun to grow in significance in many quarters of the more fundamentalist and biblically literalist branches of evangelicalism. It approaches science and technology with more than extreme skepticism. It accuses transhumanists of being in league with satanic powers and a satanic agenda and contextualizes transhumanist scientific progress in terms of its service to what it believes to be a soon to come Antichrist figure. The genre has moved beyond literature and videos about its message can be found on YouTube and other forums, where many of the presentations there get well over a quarter of a million views. This paper will examine the genre and its genesis, referring to the key figures involved in spreading the anti-intellectualist and anti-scientific message. It will demonstrate how this genre of writing is similar in many respects to other forms of apocalyptic writing which have emerged in the twentieth and twenty-first centuries, all in response to both scientific and political events which are interpreted in the light of biblical prophecy. It will also set the genre in the context of a contemporary pre-occupation with conspiracy theory. The conclusions of the research conducted in this field by the author are that it does a grave disservice to both the scientific and Christian audiences which it targets, by misrepresenting scientific advances and by creating a hermeneutic of suspicion which makes it impossible for Christians to place their trust in scientific claims.

Keywords: antichrist, catastrophic, Christian, techno-apocalypse

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1579 Student Teachers' Experiences and Perceptions of a Curriculum Designed to Promote Social Justice

Authors: Emma Groenewald

Abstract:

In 1994, numerous policies of a democratic dispensation envisage social justice and the transformation of the South Africa society. The drive for transformation and social justice resulted in an increasing number of university students from diverse backgrounds, which in turn, lead to the establishment of Sol Plaatje University (SPU) in 2014. A re-curriculated B. Ed. programme at SPU aims to equip students with knowledge and skills to realise the aim of social justice and to enhance the transformation of the South African society. The aim of this study is to explore the experiences and perceptions of students at a diverse university campus on a curriculum that aims to promote social justice. Four education modules, with the assumption that it reflects social justice content, were selected. Four students, representative of different ethnic and language groupings found at the SPU, were chosen as participants. Data were generated by the participants through four reflective exercises on each of the modules, spread over a period of four years. The module aims, linked with the narratives of the participants' perceptions and experiences of each module, provided an overview of the enacted curriculum. A qualitative research design with an interpretivist approach informed by Vygotsky's theory of learning was used. The participants' experiences of the four modules were analysed, and their views were interpreted. The students' narratives shed light on the strengths and weaknesses of how the B.Ed. Curriculum works towards social justice and revealed student's perceptions of otherness. From the narratives it became apparent that module did promote a social justice orientation in prospective teachers trained at a university.

Keywords: student diversity, social justice, transformation, teacher education

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1578 Employee Job Performance and Supervisor Workplace Gossip Employee Job Engagement's Mediation Effect

Authors: Pphakamani Irvine Dlamini

Abstract:

The impact of supervisory gossip on subordinate work performance was investigated in this paper. The paper postulated that supervisory gossip, both bad and positive, has an impact on employee job engagement, which in turn has an impact on employee job performance. Data was collected from 238 employees and supervisors from the Mpumalanga Government Municipality in South Africa using a dyadic study approach. Employees responded to questions on supervisor gossip and job engagement, while supervisors responded to questions about employee work performance. Three waves of data gathering were carried out. Favourable superior gossip had a positive and substantial effect on employee job engagement, which increased employee job performance, according to the study, but negative superior gossip had a positive but insignificant effect on employee job engagement. The multicultural aspect of the municipality, as well as causation concerns and frequent method biases connected with research design, hampered the study. After successfully disentangling the supervisor-subordinate reciprocal communication web using Social Exchange Theory (SET), the study suggests that managers should instil effective ways for using both positive and negative gossip in the workplace to achieve favourable employee outcomes. Positive gossip creates workplace rivalry and competition, but negative gossip creates tension, stress, and mistrust among employees. This study attempted to assess the implication of supervisor gossip on employee job engagement and performance in the public service sector, whose employees are characterised by high job security as compared to their peers in the private sector.

Keywords: worlplace gossip, supervisor, employee engagement, LMX

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1577 Ownership, Management Responsibility and Corporate Performance of the Listed Firms in Kazakhstan

Authors: Gulnara Moldasheva

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The research explores the relationship between management responsibility and corporate governance of listed companies in Kazakhstan. This research employs firm level data of randomly selected listed non-financial firms and firm level data “operational” financial sector, consisted from banking sector, insurance companies and accumulated pension funds using multivariate regression analysis under fixed effect model approach. Ownership structure includes institutional ownership, managerial ownership and private investor’s ownership. Management responsibility of the firm is expressed by the decision of the firm on amount of leverage. Results of the cross sectional panel study for non-financial firms showed that only institutional shareholding is significantly negatively correlated with debt to equity ratio. Findings from “operational” financial sector show that leverage is significantly affected only by the CEO/Chair duality and the size of financial institutions, and insignificantly affected by ownership structure. Also, the findings show, that there is a significant negative relationship between profitability and the debt to equity ratio for non-financial firms, which is consistent with pecking order theory. Generally, the found results suggest that corporate governance and a management responsibility play important role in corporate performance of listed firms in Kazakhstan.

Keywords: ownership, corporate governance, debt to equity ratio, corporate performance

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1576 The Future of Hospitals: A Systematic Review in the Field of Architectural Design with a Disruptive Research and Development Approach

Authors: María Araya Léon, Ainoa Abella, Aura Murillo, Ricardo Guasch, Laura Clèries

Abstract:

Objectives: This article aims to examine scientific theory framed within the term hospitals of the future from a multidisciplinary and cross-sectional perspective. To understand the connection that the various cross-sectional areas we studied have with architectural spaces and to determine the future outlook of the works examined and how they can be classified into the categories of need/solution, evolution/revolution, collective/individual, and preventive/corrective. Background: The changes currently taking place within the context of healthcare demonstrate how important these projects are and the need for companies to face future changes. Method: A systematic review has been carried out focused on what will the hospitals of the future be like in relation to the elements that form part of their use, design, and architectural space experience, using the WOS database from 2016 to 2019. Results: The large number of works about sensoring & big data and the scarce amount related to the area of materials is worth highlighting. Furthermore, no growth concerning future issues is envisaged over time. Regarding classifications, the articles we reviewed address evolutionary and collective solutions more, and in terms of preventive and corrective solutions, they were found at a similar level. Conclusions: Although our research focused on the future of hospitals, there is little evidence representing this approach. We also detected that, given the relevance of the research on how the built environment influences human health and well-being, these studies should be promoted within the context of healthcare.

Keywords: hospitals, future, architectural space, disruptive approach

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1575 Prospects of Regenerative Medicine with Human Allogeneic Adipose Tissue-Derived Mesenchymal Stem Cell Sheets: Achievements and Future Outlook in Clinical Trials for Myopic Chorioretinal Atrophy

Authors: Norimichi Nagano, Yoshio Hirano, Tsutomu Yasukawa

Abstract:

Mesenchymal stem cells are thought to confer neuroprotection, facilitate tissue regeneration and exert their effects on retinal degenerative diseases, however, adverse events such as proliferative vitreoretinopathy and preretinal membrane disease associated with cell suspension transplantation have also been reported. We have recently developed human (allogeneic) adipose tissue-derived mesenchymal stem cell (adMSC) sheets through our proprietary sheet transformation technique, which could potentially mitigate these adverse events. To clarify the properties of our adMSC sheets named PAL-222, we performed in vitro studies such as viability testing, cytokine secretions by ELISA, immunohistochemical study, and migration assay. The viability of the cells exceeded 70%. Vascular Endothelial Growth Factor (VEGF) and Pigment Epithelium-Derived Factor (PEDF), which are quite important cytokines for the retinal area, were observed. PAL-222 expressed type I collagen, a strength marker, type IV collagen, a marker of the basement membrane, and elastin, an elasticity marker. Finally, the migration assay was performed and showed negative, which means that PAL-222 is stably kept in the topical area and does not come to pieces. Next, to evaluate the efficacy in vivo, we transplanted PAL-222 into the subretinal space of the eye of Royal College of Surgeons rats with congenital retinal degeneration and assessed it for three weeks after transplantation. We confirmed that PAL-222 suppressed the decrease in the thickness of the outer nuclear layer, which means that the photoreceptor protective effect treated with PAL-222 was significantly higher than that in the sham group. (p < 0.01). This finding demonstrates that PAL-222 showed their retinoprotective effect in a model of congenital retinal degeneration. As the study suggested the efficacy of PAL-222 in both in vitro and in vivo studies, we are presently engaged in clinical trials of PAL-222 for myopic chorioretinal atrophy, which is one of the retinal degenerative diseases, for the purpose of regenerative medicine.

Keywords: cell sheet, clinical trial, mesenchymal stem cell, myopic chorioretinal atrophy

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1574 Catalytic Thermodynamics of Nanocluster Adsorbates from Informational Statistical Mechanics

Authors: Forrest Kaatz, Adhemar Bultheel

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We use an informational statistical mechanics approach to study the catalytic thermodynamics of platinum and palladium cuboctahedral nanoclusters. Nanoclusters and their adatoms are viewed as chemical graphs with a nearest neighbor adjacency matrix. We use the Morse potential to determine bond energies between cluster atoms in a coordination type calculation. We use adsorbate energies calculated from density functional theory (DFT) to study the adatom effects on the thermodynamic quantities, which are derived from a Hamiltonian. Oxygen radical and molecular adsorbates are studied on platinum clusters and hydrogen on palladium clusters. We calculate the entropy, free energy, and total energy as the coverage of adsorbates increases from bridge and hollow sites on the surface. Thermodynamic behavior versus adatom coverage is related to the structural distribution of adatoms on the nanocluster surfaces. The thermodynamic functions are characterized using a simple adsorption model, with linear trends as the coverage of adatoms increases. The data exhibits size effects for the measured thermodynamic properties with cluster diameters between 2 and 5 nm. Entropy and enthalpy calculations of Pt-O2 compare well with previous theoretical data for Pt(111)-O2, and our Pd-H results show similar trends as experimental measurements for Pd-H2 nanoclusters. Our methods are general and may be applied to wide variety of nanocluster adsorbate systems.

Keywords: catalytic thermodynamics, palladium nanocluster absorbates, platinum nanocluster absorbates, statistical mechanics

Procedia PDF Downloads 165