Search results for: theoretical calculations
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4204

Search results for: theoretical calculations

3814 Contact Temperature of Sliding Surfaces in AISI 316 Austenitic Stainless Steel During PIN on Disk Dry Wear Testing

Authors: Dler Abdullah Ahmed, Zozan Ahmed Mohammed

Abstract:

This study looked into contact surface temperature during a pin-on-disk test. Friction and wear between sliding surfaces raised the temperature differential between the contact surface and ambient temperatures Tdiff. Tdiff was significantly influenced by wear test variables. Tdiff rose with the increase of sliding speed and applied load while dropped with the increase in ambient temperature. The highest Tdiff was 289°C during the tests at room temperature and 2.5 m/s sliding speed, while the minimum was only 24 °C during the tests at 400°C and 0.5 m/s. However, the maximum contact temperature Tmax was found during tests conducted at high ambient temperatures. The Tmax was estimated based on the theoretical equation. The comparison of experimental and theoretical Tmax data revealed good agreement.

Keywords: pin on disk test, contact temperature, wear, sliding surface, friction, ambient temperature

Procedia PDF Downloads 54
3813 Film Studies: Definition, Current Status, and Future Perspectives for Cuba

Authors: Carlos Guillermo Lloga Sanz, Maria del Carmen Tamayo Asef

Abstract:

As an object of study in Cuban universities, cinema is still in its infancy. This is relevant considering the significance of cinema within the local political culture and its impact on countries of the region. Discussions about the medium have been carried out mainly in the field of film criticism. The objective of this article is to reflect on the divergences between film studies and film criticism taking into account formal and theoretical features and to explore the transcendence of this debate for the intellectual ambiance of the Island. Methodologically, the study relies on theoretical elaborations based on literature review and non-structure interviews with Cuban film critics and scholars. The study finds that the gradation proposed by the Anglo-Saxon tradition, where film studies are considered a “higher stage," compared to criticism and cinephilia, does not apply to the Cuban space. Instead, to assess the state of reflection on cinema in Cuba, it is essential to consider it a starry node traversed by epistemic, institutional, and geopolitical matrices.

Keywords: film studies, film criticism, Cuban cinema, Cuban film studies

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3812 Democratic Citizenship Education in the Context of Bildung Perspectives

Authors: Sigrid Haukanes

Abstract:

Implementation of democratic citizenship as a crossdisciplinary concept in educational practice has been problematic because of a vague and divided understanding of what the concept entails. This is underlined by a divide between understanding democracy as external to the educational sphere or understanding education as an internal part of a democratic society. This theoretical contribution aims to explore the concept of democratic citizenship in relation to Bildung perspectives. The methodology of this paper is grounded in a hermeneutical approach to interpret three philosophical perspectives from Immanuel Kant, John Dewey and Gert Biesta. These perspectives are chosen to explore democratic citizenship as: (1) an individual oriented concept, (2) a socially oriented concept and (3) a critical-social oriented concept. This theoretical paper argues that different orientations toward Bildung change the content of democratic citizenship as a cross-disciplinary concept in education. It argues that a Dewian or a Biestian notion could enrich our understanding of democratic citizenship, drawing on a critical-social perspective of Bildung.

Keywords: bildung, citizenship, democracy, education

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3811 Entrepreneurial Ecosystems and Innovation Systems: An Appraisal of Literature

Authors: Jose Carlos Rodriguez, Mario Gomez

Abstract:

In the last years, the concept of entrepreneurial ecosystems has gained popularity. It reveals the importance of a supportive community and adequate economic environment for entrepreneurial activity, and thus the possibility of developing a different perspective on the innovation system. On the other hand, the (regional/technology) innovation system approach lacks in its analyses the presence of an entrepreneur as a key actor that develops innovations. In this regard, this paper examines the foundations of both theoretical approaches (the entrepreneurial ecosystems and the regional/technology systems of innovation) and their contributions to understand entrepreneurial activity at different levels of analyses, namely national, regional or local. The paper makes a literature review on both perspectives of innovation stressing the role played by entrepreneurs in these theoretical approaches. It concludes remarking that the regional/technology innovation systems approach and the entrepreneurial ecosystem approach have established themselves in their own right, but the regional/technology innovation system approach is a predecessor of the entrepreneurial ecosystem approach.

Keywords: entrepreneurial ecosystems, innovation systems, entrepreneurial activity, comparative analysis

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3810 A Multi-Cluster Enterprise Framework for Evolution of Knowledge System among Enterprises, Governments and Research Institutions

Authors: Sohail Ahmed, Ke Xing

Abstract:

This research theoretically explored the evolution mechanism of enterprise technological innovation capability system (ETICS) from the perspective of complex adaptive systems (CAS). Starting from CAS theory, this study proposed an analytical framework for ETICS, its concepts and theory by integrating CAS methodology into the management of technological innovation capability of enterprises and discusses how to use the principles of complexity to analyze the composition, evolution and realization of the technological innovation capabilities in complex dynamic environment. This paper introduces the concept and interaction of multi-agent, the theoretical background of CAS and summarizes the sources of technological innovation, the elements of each subject and the main clusters of adaptive interactions and innovation activities. The concept of multi-agents is applied through the linkages of enterprises, research institutions and government agencies with the leading enterprises in industrial settings. The study was exploratory based on CAS theory. Theoretical model is built by considering technological and innovation literature from foundational to state of the art projects of technological enterprises. On this basis, the theoretical model is developed to measure the evolution mechanism of enterprise technological innovation capability system. This paper concludes that the main characteristics for evolution in technological systems are based on enterprise’s research and development personal, investments in technological processes and innovation resources are responsible for the evolution of enterprise technological innovation performance. The research specifically enriched the application process of technological innovation in institutional networks related to enterprises.

Keywords: complex adaptive system, echo model, enterprise knowledge system, research institutions, multi-agents.

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3809 Development of Active Learning Calculus Course for Biomedical Program

Authors: Mikhail Bouniaev

Abstract:

The paper reviews design and implementation of a Calculus Course required for the Biomedical Competency Based Program developed as a joint project between The University of Texas Rio Grande Valley, and the University of Texas’ Institute for Transformational Learning, from the theoretical perspective as presented in scholarly work on active learning, formative assessment, and on-line teaching. Following a four stage curriculum development process (objective, content, delivery, and assessment), and theoretical recommendations that guarantee effectiveness and efficiency of assessment in active learning, we discuss the practical recommendations on how to incorporate a strong formative assessment component to address disciplines’ needs, and students’ major needs. In design and implementation of this project, we used Constructivism and Stage-by-Stage Development of Mental Actions Theory recommendations.

Keywords: active learning, assessment, calculus, cognitive demand, mathematics, stage-by-stage development of mental action theory

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3808 UEMSD Risk Identification: Case Study

Authors: K. Sekulová, M. Šimon

Abstract:

The article demonstrates on a case study how it is possible to identify MSD risk. It is based on a dissertation risk identification model of occupational diseases formation in relation to the work activity that determines what risk can endanger workers who are exposed to the specific risk factors. It is evaluated based on statistical calculations. These risk factors are main cause of upper-extremities musculoskeletal disorders.

Keywords: case study, upper-extremity musculoskeletal disorders, ergonomics, risk identification

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3807 Challenging Heteronormativity and Mononormativity in Academia: Incorporating Consensual Non-Monogamy into Psychological Romantic Relationship Research

Authors: Jessica Wood, Serge Desmarais

Abstract:

There has been recent resurgence in the popular and academic interest of consensual non-monogamous (CNM) relationships- an umbrella term that defines relationships in which each partner has openly agreed to engage in additional romantic and/or sexual relationships outside of their primary partnership. Despite an increase in the academic study of CNM, little psychological attention has been paid to the study of CNM, with the consideration of these relationships commonly occurring within related social science disciplines such as sociology or anthropology. As a discipline, psychology has a history of conducting research in the area of intimate relationships, and psychologists have amassed a wealth of theoretical knowledge in this field. However, historically individuals who engage in "alternative" sexual and romantic behaviours, such as non-heterosexual sex or sex with multiple partners have been pathologized within psychological research. Individuals in CNM relationships or individuals identifying as lesbian, gay, bisexual, trans or queer have often been excluded from research or “othered” in psychological interpretations of what healthy relationships entail. Thus, our current theoretical understandings of romantic relationships are limited to heterosexual, monogamous relationships. The goal of this presentation is to examine commonly cited components of relationship satisfaction (e.g., commitment, communication) and to critically assess how CNM experiences are presented in, or missing from, the psychological literature on romantic relationships. Additionally, the presentation will also consider how CNM relationships may add to our understanding or enhancement of traditional psychological theories and address issues related to heteronormativity and mononormativity within the discipline. Finally, we will close with a consideration of additional theoretical perspectives that may aid in our understanding of CNM relationships and suggest directions for future research.

Keywords: heteronormativity, mononormativity, psychological research, diverse relationships, gender, sexuality, feminism, queer theory

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3806 The Experience of the Prosthetics Program in Palestine Arab American University as Model

Authors: Ahmad Dawabsheh

Abstract:

The prosthetics program is an international program, found in honorable respectable universities. This program like other programs was found to serve several reasons, The most important reason is humanity, humanity free of conflict, religion, race, or war, but rather focuses on the humanitarian issue. This is what encouraged me to study this topic to help people, especially the poor in the world. The researcher will distribute a questionnaire to the faculty members and students of the department to measure the knowledge and importance of this program from the practical and theoretical sides of the local community. The researcher used the analytical method to study the subject. The research will attempt to answer the questions: What is the student's knowledge of this program? How important is this program to society?. The research aims to know the Palestinian society's need for this program. The research also aims to know the extent of students' knowledge of recent developments and new innovations in prosthetics around the world. What does the university offer to students in addition to theoretical courses?

Keywords: prosthetics, Arab American University, analytical method, questionnair

Procedia PDF Downloads 139
3805 Organisational Blogging: Reviewing Its Effectiveness as an Organisational Learning Tool

Authors: Gavin J. Baxter, Mark H. Stansfield

Abstract:

This paper reviews the internal use of blogs and their potential effectiveness as organisational learning tools. Prior to and since the emergence of the concept of ‘Enterprise 2.0’ there still remains a lack of empirical evidence associated with how organisations are applying social media tools and whether they are effective towards supporting organisational learning. Surprisingly, blogs, one of the more traditional social media tools, still remains under-researched in the context of ‘Enterprise 2.0’ and organisational learning. The aim of this paper is to identify the theoretical linkage between blogs and organisational learning in addition to reviewing prior research on organisational blogging with a view towards exploring why this area remains under-researched and identifying what needs to be done to try and move the area forward. Through a review of the literature, one of the principal findings of this paper is that organisational blogs, dependent on their use, do have a mutual compatibility with the interpretivist aspect of organisational learning. This paper further advocates that further empirical work in this subject area is required to substantiate this theoretical assumption.

Keywords: Enterprise 2.0, blogs, organisational learning, social media tools

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3804 Researching International PhD Algerian Students’ Communication Challenges in Speaking When Discussing and Interacting with Their British Peers: A Researcher’s Interpretive Perspective through the Use of Semi-Structured Interview

Authors: H. Maita

Abstract:

This paper addresses the issue of the speaking challenges that the Algerian PhD students experience during their studies abroad, particularly in UK territory; more specifically, this study describes how these students may deal with such challenges and whether the cultural differences is one core reason in such dilemma or not. To this end, an understanding and interpretation of what actually encompasses both linguistic interference and cultural differences are required. Throughout the paper there is an attempt to explain the theoretical basis of the interpretive research and to theoretically discuss the pivotal use of the interview, as a data collection tool, in interpretive research. Thus, the central issue of this study is to frame the theoretical perspective of the interpretive research through the discussion of PhD Algerian’s communication and interaction challenges in the EFL context. This study is a corner stone for other research studies to further investigate the issue related to communication challenges because no specific findings will be pointed out in this research.

Keywords: communication, EFL, interaction, linguistic interference

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3803 The Strategic Engine Model: Redefined Strategy Structure, as per Market-and Resource-Based Theory Application, Tested in the Automotive Industry

Authors: Krassimir Todorov

Abstract:

The purpose of the paper is to redefine the levels of structure of corporate, business and functional strategies that were established over the past several decades, to a conceptual model, consisting of corporate, business and operations strategies, that are reinforced by functional strategies. We will propose a conceptual framework of different perspectives in the role of strategic operations as a separate strategic place and reposition the remaining functional strategies as supporting tools, existing at all three levels. The proposed model is called ‘the strategic engine’, since the mutual relationships of its ingredients are identical with main elements and working principle of the internal combustion engine. Based on theoretical essence, related to every strategic level, we will prove that the strategic engine model is useful for managers seeking to safeguard the competitive advantage of their companies. Each strategy level is researched through its basic elements. At the corporate level we examine the scope of firm’s product, the vertical and geographical coverage. At the business level, the point of interest is limited to the SWOT analysis’ basic elements. While at operations level, the key research issue relates to the scope of the following performance indicators: cost, quality, speed, flexibility and dependability. In this relationship, the paper provides a different view for the role of operations strategy within the overall strategy concept. We will prove that the theoretical essence of operations goes far beyond the scope of traditionally accepted business functions. Exploring the applications of Resource-based theory and Market-based theory within the strategic levels framework, we will prove that there is a logical consequence of the theoretical impact in corporate, business and operations strategy – at every strategic level, the validity of one theory is substituted to the level of the other. Practical application of the conceptual model is tested in automotive industry. Actually, the proposed theoretical concept is inspired by a leading global automotive group – Inchcape PLC, listed on the London Stock Exchange, and constituent of the FTSE 250 Index.

Keywords: business strategy, corporate strategy, functional strategies, operations strategy

Procedia PDF Downloads 158
3802 Liquidity and Cash Management in Business-A Key to Business Survival and Growth: The Nigerian Case

Authors: Ugbor Raphael Oluchukwu

Abstract:

Focusing on liquidity comes more naturally to a Chief Executive Officer than an Accountant who is trained to practice accrual accounting. When business is just commencing, it is essentially run on a cheque book (cash accounting) and for as long as there is cash in the accounts, the business is solvent. When complexity sets in and the business adopts financial accounting, the effect of liquidity and cash management becomes more pronounced. The management of cash no doubts impacts positively on the survival and growth of firms. What is in doubt is the amount of cash to be held by a firm as enough cash to enable the firm stay “afloat”. The focus of this paper is to determine liquidity and cash management in business, the Nigerian case. The specific objectives of the study are to do a theoretical review of the amount of cash to be held by a firm as enough cash to enable it stay afloat and to do a theoretical analysis to show the effect of cash flow on the survival and growth of firms in Nigeria.

Keywords: cash, firm survival, growth, liquidity management

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3801 The Capacity of Bolted and Screw Connections in Cold-Formed Steel Truss Structure through Analytical and Experimental Method

Authors: Slamet Setioboro, Rahutami Kusumaningsih, Prabowo Setiyawan, Danna Darmayadi

Abstract:

Designing of cold-formed steel capacity connections often based on the formula used for hot rolled steel. It makes the result of the actual capacity connection doesn’t accurate anymore. When the hot rolled steel receives the axial load pull, it will have different characteristics. As the result, there will be failure result when designing Truss structure made of hot rolled steel. This research aims to determine the capacity of actual cold-formed steel connections section which is loaded by the axial tensile force. It will test the appeal of the connection using bolt grafting tool and screw grafting tool. The variations of the test will be on the type of connection (single and double slap), the number of the connection tools and connection configuration. Bold and screw connections failure mode observed in this research are different each other. Failure mode of bolted connections includes sliding pivot plate, tearing at the plate and cutting of the bolt head. While the failure mode of screw connections includes tilting, hole-bearing, pull over and cutting the screw body out. This research was conducted using a laboratory test of HW2-600S Universal Testing Machine model with ASTM E8. It has done in the materials testing laboratory of Mechanical Engineering Department, Faculty of Engineering UNNES. The results obtained through the laboratory diversification towards theoretical calculations using the standards specified in ISO 7971-2013 Cold-Rolled Steel Structures. Based on the research, it can be concluded that the effective connection in receiving force strength is bolted connections neither single nor double plate. The method used is by applying 4 bolts through 2 parallel lines configuration. Furthermore, this connection deals with the consequences of holding the highest Pmaks, lowest failure risk and getting a little kind of mode of failure.

Keywords: axial load, cold-formed steel, capacity connections, bolted connections, screw connections

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3800 Interlanguage Pragmatics Instruction: Evidence from EFL Teachers

Authors: Asma Ben Abdallah

Abstract:

Interlanguage Pragmatics (ILP) Instruction has brought a lot of enlightenment for Foreign Language Teaching and has secured itself a deserved position in SLA research. In the Tunisian context, ILP instruction remains less explored for academics and educational practitioners. In our experience as teachers, both at secondary school and at university levels, the instruction and assessment of pragmatics seem to be contentious. This paper firstly introduces the theoretical models of Interlanguage pragmatics Instruction and focuses on their implications for foreign language teaching. This study builds on the work of Ben Abdallah (2015) that investigated the effects of pragmatic Instruction on Tunisian EFL Learners where pragmatic Instruction has been approached from the perspective of students and their learning strategies. The data for the present study, however, come from Tunisian EFL teachers by investigating their pragmatics practices and their perceptions of pragmatic instruction. The findings indicated that EFL teachers have pragmatic awareness; yet, their reflections revealed that their awareness was mostly on theoretical pragmatic knowledge, and not explicitly brought into practical pragmatic applications. The paper concludes by promoting pragmatics instruction with the suggestion that EFL teachers should teach pragmatics in class.

Keywords: interlanguage pragmatics theory, pragmatics, pragmatic instruction, SLA

Procedia PDF Downloads 259
3799 A Study on ZnO Nanoparticles Properties: An Integration of Rietveld Method and First-Principles Calculation

Authors: Kausar Harun, Ahmad Azmin Mohamad

Abstract:

Zinc oxide (ZnO) has been extensively used in optoelectronic devices, with recent interest as photoanode material in dye-sensitize solar cell. Numerous methods employed to experimentally synthesized ZnO, while some are theoretically-modeled. Both approaches provide information on ZnO properties, but theoretical calculation proved to be more accurate and timely effective. Thus, integration between these two methods is essential to intimately resemble the properties of synthesized ZnO. In this study, experimentally-grown ZnO nanoparticles were prepared by sol-gel storage method with zinc acetate dihydrate and methanol as precursor and solvent. A 1 M sodium hydroxide (NaOH) solution was used as stabilizer. The optimum time to produce ZnO nanoparticles were recorded as 12 hours. Phase and structural analysis showed that single phase ZnO produced with wurtzite hexagonal structure. Further work on quantitative analysis was done via Rietveld-refinement method to obtain structural and crystallite parameter such as lattice dimensions, space group, and atomic coordination. The lattice dimensions were a=b=3.2498Å and c=5.2068Å which were later used as main input in first-principles calculations. By applying density-functional theory (DFT) embedded in CASTEP computer code, the structure of synthesized ZnO was built and optimized using several exchange-correlation functionals. The generalized-gradient approximation functional with Perdew-Burke-Ernzerhof and Hubbard U corrections (GGA-PBE+U) showed the structure with lowest energy and lattice deviations. In this study, emphasize also given to the modification of valence electron energy level to overcome the underestimation in DFT calculation. Both Zn and O valance energy were fixed at Ud=8.3 eV and Up=7.3 eV, respectively. Hence, the following electronic and optical properties of synthesized ZnO were calculated based on GGA-PBE+U functional within ultrasoft-pseudopotential method. In conclusion, the incorporation of Rietveld analysis into first-principles calculation was valid as the resulting properties were comparable with those reported in literature. The time taken to evaluate certain properties via physical testing was then eliminated as the simulation could be done through computational method.

Keywords: density functional theory, first-principles, Rietveld-refinement, ZnO nanoparticles

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3798 Police and Community Crime Prevention in Sweden

Authors: Peter Lindstrom, Caroline Gyberg, Scott Goodwin

Abstract:

The Swedish police organisation was fundamentally reorganized in 2015 when 21 regional police forces were combined into one national police authority divided in 7 larger police regions, 35 police areas, and some 100 local police districts. A central theme for the reform was that local crime prevention policing should be more unified in the country. In this paper, we review crime prevention strategies in Sweden from a criminological and policing perspective focusing, among other things, on differences between urban and rural areas. In the crime prevention field, words such as 'knowledge- and evidence-based', 'collaboration', and 'strategies' are common. Our objective is to investigate the relationship between theoretical and practical knowledge in local crime prevention work. Our research indicate that an elaborated and strategic connection between theoretical and practical perspectives is important for successful local crime prevention work. Universities may provide a platform such knowledge exchange.

Keywords: crime prevention, police reform, urban and rural areas, criminological and policing perspectives

Procedia PDF Downloads 162
3797 Adaptive Optimal Controller for Uncertain Inverted Pendulum System: A Dynamic Programming Approach for Continuous Time System

Authors: Dao Phuong Nam, Tran Van Tuyen, Do Trong Tan, Bui Minh Dinh, Nguyen Van Huong

Abstract:

In this paper, we investigate the adaptive optimal control law for continuous-time systems with input disturbances and unknown parameters. This paper extends previous works to obtain the robust control law of uncertain systems. Through theoretical analysis, an adaptive dynamic programming (ADP) based optimal control is proposed to stabilize the closed-loop system and ensure the convergence properties of proposed iterative algorithm. Moreover, the global asymptotic stability (GAS) for closed system is also analyzed. The theoretical analysis for continuous-time systems and simulation results demonstrate the performance of the proposed algorithm for an inverted pendulum system.

Keywords: approximate/adaptive dynamic programming, ADP, adaptive optimal control law, input state stability, ISS, inverted pendulum

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3796 Numerical Investigation of Fluid Outflow through a Retinal Hole after Scleral Buckling

Authors: T. Walczak, J. K. Grabski, P. Fritzkowski, M. Stopa

Abstract:

Objectives of the study are i) to perform numerical simulations that permit an analysis of the dynamics of subretinal fluid when an implant has induced scleral intussusception and ii) assess the impact of the physical parameters of the model on the flow rate. Computer simulations were created using finite element method (FEM) based on a model that takes into account the interaction of a viscous fluid (subretinal fluid) with a hyperelastic body (retina). The purpose of the calculation was to investigate the dependence of the flow rate of subretinal fluid through a hole in the retina on different factors such as viscosity of subretinal fluid, material parameters of the retina, and the offset of the implant from the retina’s hole. These simulations were performed for different speeds of eye movement that reflect the behavior of the eye when reading, REM, and saccadic movements. Similar to other works in the field of subretinal fluid flow, it was assumed stationary, single sided, forced fluid flow in the considered area simulating the subretinal space. Additionally, a hyperelastic material model of the retina and parameterized geometry of the considered model was adopted. The calculations also examined the influence the direction of the force of gravity due to the position of the patient’s head on the trend of outflow of fluid. The simulations revealed that fluid outflow from the retina becomes significant with eyeball movement speed of 100°/sec. This speed is greater than in the case of reading but is four times less than saccadic movement. The increase of viscosity of the fluid increased beneficial effect. Further, the simulation results suggest that moderate eye movement speed is optimal and that the conventional prescription of the avoidance of routine eye movement following retinal detachment surgery should be relaxed. Additionally, to verify numerical results, some calculations were repeated with use of meshless method (method of fundamental solutions), which is relatively fast and easy to implement. The paper has been supported by 02/21/DSPB/3477 grant.

Keywords: CFD simulations, FEM analysis, meshless method, retinal detachment

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3795 DNA-Polycation Condensation by Coarse-Grained Molecular Dynamics

Authors: Titus A. Beu

Abstract:

Many modern gene-delivery protocols rely on condensed complexes of DNA with polycations to introduce the genetic payload into cells by endocytosis. In particular, polyethyleneimine (PEI) stands out by a high buffering capacity (enabling the efficient condensation of DNA) and relatively simple fabrication. Realistic computational studies can offer essential insights into the formation process of DNA-PEI polyplexes, providing hints on efficient designs and engineering routes. We present comprehensive computational investigations of solvated PEI and DNA-PEI polyplexes involving calculations at three levels: ab initio, all-atom (AA), and coarse-grained (CG) molecular mechanics. In the first stage, we developed a rigorous AA CHARMM (Chemistry at Harvard Macromolecular Mechanics) force field (FF) for PEI on the basis of accurate ab initio calculations on protonated model pentamers. We validated this atomistic FF by matching the results of extensive molecular dynamics (MD) simulations of structural and dynamical properties of PEI with experimental data. In a second stage, we developed a CG MARTINI FF for PEI by Boltzmann inversion techniques from bead-based probability distributions obtained from AA simulations and ensuring an optimal match between the AA and CG structural and dynamical properties. In a third stage, we combined the developed CG FF for PEI with the standard MARTINI FF for DNA and performed comprehensive CG simulations of DNA-PEI complex formation and condensation. Various technical aspects which are crucial for the realistic modeling of DNA-PEI polyplexes, such as options of treating electrostatics and the relevance of polarizable water models, are discussed in detail. Massive CG simulations (with up to 500 000 beads) shed light on the mechanism and provide time scales for DNA polyplex formation independence of PEI chain size and protonation pattern. The DNA-PEI condensation mechanism is shown to primarily rely on the formation of DNA bundles, rather than by changes of the DNA-strand curvature. The gained insights are expected to be of significant help for designing effective gene-delivery applications.

Keywords: DNA condensation, gene-delivery, polyethylene-imine, molecular dynamics.

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3794 High Pressure Thermophysical Properties of Complex Mixtures Relevant to Liquefied Natural Gas (LNG) Processing

Authors: Saif Al Ghafri, Thomas Hughes, Armand Karimi, Kumarini Seneviratne, Jordan Oakley, Michael Johns, Eric F. May

Abstract:

Knowledge of the thermophysical properties of complex mixtures at extreme conditions of pressure and temperature have always been essential to the Liquefied Natural Gas (LNG) industry’s evolution because of the tremendous technical challenges present at all stages in the supply chain from production to liquefaction to transport. Each stage is designed using predictions of the mixture’s properties, such as density, viscosity, surface tension, heat capacity and phase behaviour as a function of temperature, pressure, and composition. Unfortunately, currently available models lead to equipment over-designs of 15% or more. To achieve better designs that work more effectively and/or over a wider range of conditions, new fundamental property data are essential, both to resolve discrepancies in our current predictive capabilities and to extend them to the higher-pressure conditions characteristic of many new gas fields. Furthermore, innovative experimental techniques are required to measure different thermophysical properties at high pressures and over a wide range of temperatures, including near the mixture’s critical points where gas and liquid become indistinguishable and most existing predictive fluid property models used breakdown. In this work, we present a wide range of experimental measurements made for different binary and ternary mixtures relevant to LNG processing, with a particular focus on viscosity, surface tension, heat capacity, bubble-points and density. For this purpose, customized and specialized apparatus were designed and validated over the temperature range (200 to 423) K at pressures to 35 MPa. The mixtures studied were (CH4 + C3H8), (CH4 + C3H8 + CO2) and (CH4 + C3H8 + C7H16); in the last of these the heptane contents was up to 10 mol %. Viscosity was measured using a vibrating wire apparatus, while mixture densities were obtained by means of a high-pressure magnetic-suspension densimeter and an isochoric cell apparatus; the latter was also used to determine bubble-points. Surface tensions were measured using the capillary rise method in a visual cell, which also enabled the location of the mixture critical point to be determined from observations of critical opalescence. Mixture heat capacities were measured using a customised high-pressure differential scanning calorimeter (DSC). The combined standard relative uncertainties were less than 0.3% for density, 2% for viscosity, 3% for heat capacity and 3 % for surface tension. The extensive experimental data gathered in this work were compared with a variety of different advanced engineering models frequently used for predicting thermophysical properties of mixtures relevant to LNG processing. In many cases the discrepancies between the predictions of different engineering models for these mixtures was large, and the high quality data allowed erroneous but often widely-used models to be identified. The data enable the development of new or improved models, to be implemented in process simulation software, so that the fluid properties needed for equipment and process design can be predicted reliably. This in turn will enable reduced capital and operational expenditure by the LNG industry. The current work also aided the community of scientists working to advance theoretical descriptions of fluid properties by allowing to identify deficiencies in theoretical descriptions and calculations.

Keywords: LNG, thermophysical, viscosity, density, surface tension, heat capacity, bubble points, models

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3793 Assets and Health: Examining the Asset-Building Theoretical Framework and Psychological Distress

Authors: Einav Srulovici, Michal Grinstein-Weiss, George Knafl, Linda Beeber, Shawn Kneipp, Barbara Mark

Abstract:

Background: The asset-building theoretical framework (ABTF) is acknowledged as the most complete framework thus far for depicting the relationships between asset accumulation (the stock of a household’s saved resources available for future investment) and health outcomes. Although the ABTF takes into consideration the reciprocal relationship between asset accumulation and health, no ABTF based study has yet examined this relationship. Therefore, the purpose of this study was to test the ABTF and psychological distress, focusing on the reciprocal relationship between assets accumulation and psychological distress. Methods: The study employed longitudinal data from 6,295 families from the 2001 and 2007 Panel Study of Income Dynamics data sets. Structural equation modeling (SEM) was used to test the reciprocal relationship between asset accumulation and psychological distress. Results: In general, the data displayed a good fit to the model. The longitudinal SEM found that asset accumulation significantly increased with a decreased in psychological distress over time, while psychological distress significantly increased with an increase in asset accumulation over time, confirming the existence of the hypothesized reciprocal relationship. Conclusions: Individuals who are less psychological distressed might have more energy to engage in activities, such as furthering their education or obtaining better jobs that are in turn associated with greater asset accumulation, while those who have greater assets may invest those assets in riskier investments, resulting in increased psychological distress. The confirmation of this reciprocal relationship highlights the importance of conducting longitudinal studies and testing the reciprocal relationship between asset accumulation and other health outcomes.

Keywords: asset-building theoretical framework, psychological distress, structural equation modeling, reciprocal relationship

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3792 Graphical Modeling of High Dimension Processes with an Environmental Application

Authors: Ali S. Gargoum

Abstract:

Graphical modeling plays an important role in providing efficient probability calculations in high dimensional problems (computational efficiency). In this paper, we address one of such problems where we discuss fragmenting puff models and some distributional assumptions concerning models for the instantaneous, emission readings and for the fragmenting process. A graphical representation in terms of a junction tree of the conditional probability breakdown of puffs and puff fragments is proposed.

Keywords: graphical models, influence diagrams, junction trees, Bayesian nets

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3791 Theoretical Investigation of the Structural, Electronic, Optical and Elastic Properties of the Perovskite ScRhO₃

Authors: L. Foudia, K. Haddadi, M. Reffas

Abstract:

First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.

Keywords: ab-initio, perovskite, DFT, band gap.

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3790 Study of Half-Metallic Ferromagnetism in CeFeO3

Authors: A. Abbad, W. Benstaali

Abstract:

Using first-principles calculations based on the density functional theory and generalize gradient approximation, we predict electronic and magnetic properties of CeFeO3 orthorhombic perovskite. The calculated densities of states presented in this study identify the metallic behavior CeFeO3 when we use the GGA scheme, whereas when we use the GGA+U, we see that its exhibits half-metallic character with an integer magnetic moment of 24μB per formula unit at its equilibrium volume which makes this compound promising candidate for applications in spintronics.

Keywords: CeFeO3, magnetic moment, half-metallic, electronic properties

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3789 Formation of Volatile Iodine from Cesium Iodide Aerosols: A DFT Study

Authors: Houssam Hijazi, Laurent Cantrel, Jean-François Paul

Abstract:

Periodic DFT calculations were performed to study the chemistry of CsI particles and the possible release of volatile iodine from CsI surfaces for nuclear safety interest. The results show that water adsorbs at low temperature associatively on the (011) surface of CsI, while water desorbs at higher temperatures. On the other hand, removing iodine species from the surface requires oxidizing the surface one time for each removed iodide atom. The activation energy of removing I2 from the surface in the presence of two OH is 1,2 eV.

Keywords: aerosols, CSI, reactivity, DFT, water adsorption

Procedia PDF Downloads 320
3788 Ab Initio Study of Structural, Elastic, Electronic and Thermal Properties of Full Heusler

Authors: M. Khalfa, H. Khachai, F. Chiker, K. Bougherara, R. Khenata, G. Murtaza, M. Harmel

Abstract:

A theoretical study of structural, elastic, electronic and thermodynamic properties of Fe2VX, (with X = Al and Ga), were studied by means of the full-relativistic version of the full-potential augmented plane wave plus local orbitals method. For exchange and correlation potential we used both generalized-gradient approximation (GGA) and local-density approximation (LDA). Our calculated ground state properties like as lattice constants, bulk modulus and elastic constants appear more accurate when we employed the GGA rather than the LDA approximation, and these results agree very well with the available experimental and theoretical data. Further, prediction of the thermal effects on some macroscopic properties of Fe2VAl and Fe2VGa are given in this paper using the quasi-harmonic Debye model in which the lattice vibrations are taken into account. We have obtained successfully the variations of the primitive cell volume, volume expansion coefficient, heat capacities and Debye temperature with pressure and temperature in the ranges of 0–40 GPa and 0–1500 K.

Keywords: full Heusler, FP-LAPW, electronic properties, thermal properties

Procedia PDF Downloads 475
3787 Theoretical Investigation on the Dynamic Characteristics of One Degree of Freedom Vibration System Equipped with Inerter of Variable Inertance

Authors: Barenten Suciu, Yoshiki Tsuji

Abstract:

In this paper, a theoretical investigation on the dynamic characteristics of one degree of freedom vibration system equipped with inerter of variable inertance, is presented. Differential equation of movement was solved under proper initial conditions in the case of free undamped/damped vibration, considered in the absence/presence of the inerter in the mechanical system. Influence of inertance on the amplitude of vibration, phase angle, natural frequency, damping ratio, and logarithmic decrement was clarified. It was mainly found that the inerter decreases the natural frequency of the undamped system and also of the damped system if the damping ratio is below 0.707. On the other hand, the inerter increases the natural frequency of the damped system if the damping ratio exceeds 0.707. Results obtained in this work are useful for the adequate design of inerters.

Keywords: damping, frequency control, inerter, one degree of freedom vibration system, parallel connection, variable inertance

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3786 Scientific Theoretical Fundamentals of Comparative Analysis

Authors: Khalliyeva Gulnoz Iskandarovna, Mannonova Feruzabonu Sherali Qizi

Abstract:

A scientific field called comparative literature or literary comparative studies compares two or more literary phenomena. One of the most important scientific fields nowadays, when global social, cultural, and literary relations are growing daily, is comparative literature. Any comparative investigation reveals shared and unique characteristics of literary phenomena, which provide the cornerstone for the creation of overarching theoretical principles that apply to all literature. Comparative analysis consists of objects, and they are their constituents. For researchers, it is enough to know this. Comparative analysis, in addition to the above-mentioned actions, also focuses on comparing the components of the objects of analysis with each other. The purpose of this article is to investigate comparative analysis in literature and to identify similarities and differences between comparable objects. Students, teachers, and researchers should be able to describe comparative research techniques and their fundamental ideas when studying this topic. They should also have a basic understanding of comparative literature and their summary.

Keywords: object, natural, social, spiritual, epistemological, logical, methodological, methodological, axiological tasks, stages of comparison, environment, internal features, and typical situations

Procedia PDF Downloads 45
3785 Molecular Docking Assessment of Pesticides Binding to Bacterial Chitinases

Authors: Diana Larisa Vladoiu, Vasile Ostafe, Adriana Isvoran

Abstract:

Molecular docking calculations reveal that pesticides provide favorable interactions with the bacterial chitinases. Pesticides interact with both hydrophilic and aromatic residues involved in the active site of the enzymes, their positions partially overlapping the substrate and the inhibitors locations. Molecular docking outcomes, in correlation with experimental literature data, suggest that the pesticides may be degraded or having an inhibitor effect on the activity of these enzymes, depending of the application dose and rate.

Keywords: chitinases, inhibition, molecular docking, pesticides

Procedia PDF Downloads 530