Search results for: students with special education needs

Authors: Fathi Alwafie

Abstract:

This paper presents a ray tracing simulation technique for characterize the radiowave propagation inside building. The implementation of an algorithm capable of enumerating a large number of propagation paths in interactive time for the special case of 2.5D. The effective dielectric constants of the building structure in the simulations are indicated. The study describes an efficient 2.5D model of ray tracing algorithm were compared with 3D model. The result of the first investigations is that the environment of the indoor wave significantly changes as we change the electric parameters of material constructions. A detailed analysis of the dependence of the indoor wave on the wideband characteristics of the channel: root mean square (RMS) delay spread characteristics and Mean excess delay, is also investigated.

Keywords: Picrocellular, Propagation, Ray tracing

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Authors: Akram A. Mustafa

Abstract:

In this paper an approaches for increasing the effectiveness of error detection in computer network channels with Pulse-Amplitude Modulation (PAM) has been proposed. Proposed approaches are based on consideration of special feature of errors, which are appearances in line with PAM. The first approach consists of CRC modification specifically for line with PAM. The second approach is base of weighted checksums using. The way for checksum components coding has been developed. It has been shown that proposed checksum modification ensure superior digital data control transformation reliability for channels with PAM in compare to CRC.

Keywords: Pulse-Amplitude Modulation, checksum, transmission, discrete.

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Authors: Martin Rozanek, Karel Roubik

Abstract:

The study deals with the modelling of the gas flow during heliox therapy. A special model has been developed to study the effect of the helium upon the gas flow in the airways during the spontaneous breathing. Lower density of helium compared with air decreases the Reynolds number and it allows improving the flow during the spontaneous breathing. In the cases, where the flow becomes turbulent while the patient inspires air the flow is still laminar when the patient inspires heliox. The use of heliox decreases the work of breathing and improves ventilation. It allows in some cases to prevent the intubation of the patients.

Keywords: Gas flow, heliox, Reynolds number, turbulent flow.

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Authors: Jakub Hospodka

Abstract:

This paper dissertates about issues which may occur after next year will be major part of civil aviation in EU included into system of Emission trading. This system should help to fight against global warming and to fulfill Kyoto Protocol commitments of European countries. Main issues mentioned in this paper are connected with problem of radiative forcing from emissions and lack of their monitoring and charging in EU legislative. There are mentioned main differences between industrial emissions and emissions form aviation with notification about possible negative impacts of neglecting these differences. Special attention is dedicated to risk of possible reverse effect of inclusion aviation in EU ETS, which may theoretically occur.

Keywords: EU ETS, radiative forcing, aviation, emissiontrading.

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Authors: Sammani Danwawu Abdullahi

Abstract:

Vertex Enumeration Algorithms explore the methods and procedures of generating the vertices of general polyhedra formed by system of equations or inequalities. These problems of enumerating the extreme points (vertices) of general polyhedra are shown to be NP-Hard. This lead to exploring how to count the vertices of general polyhedra without listing them. This is also shown to be #P-Complete. Some fully polynomial randomized approximation schemes (fpras) of counting the vertices of some special classes of polyhedra associated with Down-Sets, Independent Sets, 2-Knapsack problems and 2 x n transportation problems are presented together with some discovered open problems.

Keywords: Approximation, counting with uncertainties, mathematical programming, optimization, vertex enumeration.

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Authors: Fuad Alzahrani, Yiannis Kyratsis

Abstract:

Although emergency nurses, being the frontline workers in mass-gatherings, are essential for providing an effective public health response, little is known about the skills that emergency nurses have, or require, in order to respond effectively to a disaster event. This paper is designed to address this gap in the literature by conducting an empirical study on emergency nurses’ preparedness at the mass-gathering event of Hajj in Mecca city. To achieve this aim, this study conducted a cross-sectional survey among 106 emergency department nurses in all the public hospitals in Mecca in 2014. The results revealed that although emergency nurses’ role understanding is high; they have limited knowledge and awareness of how to respond appropriately to mass-gathering disaster events. To address this knowledge gap, the top three most beneficial types of education and training courses suggested are: hospital education sessions, the Emergency Management Saudi Course and workshop; and short courses in disaster management. Finally, recommendations and constructive strategies are developed to provide the best practice in enhancing disaster preparedness. This paper adds to the body of knowledge regarding emergency nurses and mass gathering disasters. This paper measures the level of disaster knowledge, previous disaster response experience and disaster education and training amongst emergency nurses in Mecca, Saudi Arabia. It is anticipated that this study will provide a foundation for future studies aimed at better preparing emergency nurses for disaster response. This paper employs new strategies to improve the emergency nurses’ response during mass gatherings for the Hajj. Increasing the emergency nurses’ knowledge will develop their effective responses in mass-gathering disasters.

Keywords: Emergency nurses, mass-gatherings, disaster preparedness, perceived role.

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Authors: Ahmad T. Al-Taani, Noor Aldeen K. Al-Awad

Abstract:

In this study, a fuzzy similarity approach for Arabic web pages classification is presented. The approach uses a fuzzy term-category relation by manipulating membership degree for the training data and the degree value for a test web page. Six measures are used and compared in this study. These measures include: Einstein, Algebraic, Hamacher, MinMax, Special case fuzzy and Bounded Difference approaches. These measures are applied and compared using 50 different Arabic web pages. Einstein measure was gave best performance among the other measures. An analysis of these measures and concluding remarks are drawn in this study.

Keywords: Text classification, HTML documents, Web pages, Machine learning, Fuzzy logic, Arabic Web pages.

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Authors: Gholam Hossein Naseri, Manucher Tamizi

Abstract:

Light is one of the most important qualitative and symbolic factors and has a special position in architecture and urban development in regard to practical function. The main function of light, either natural or artificial, is lighting up the environment and the constructional forms which is called lighting. However, light is used to redefine the urban spaces by architectural genius with regard to three aesthetic, conceptual and symbolic factors. In architecture and urban development, light has a function beyond lighting up the environment, and the designers consider it as one of the basic components. The present research aims at studying the function of light and color in architectural view and their effects in buildings.

Keywords: Architectural View , Color , Light

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Authors: A. Bencsik, V. Lőre, I. Marosi

Abstract:

Knowledge and these notions have become more and more important and we speak about a knowledge based society today. A lot of small and big companies have reacted upon these new challenges. But there is a deep abyss about knowledge conception and practice between the professional researchers and company - life. The question of this research was: How can small and mediumsized companies be equal to the demands of new economy? Questionnaires were used in this research and a special segment of the native knowledge based on economy was focused on. Researchers would have liked to know what the sources of success are and how they can be in connection with questions of knowledge acquisition, knowledge transfer, knowledge utilization in small and medium-sized companies. These companies know that they have to change their behaviour and thinking, but they are not on the suitable level that they can compete with bigger or multinational companies.

Keywords: Knowledge, management, small and medium-sized companies, study.

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Authors: Zhazgul Kelgenbaeva, Emil Omurzak, Saadat Sulaimankulova, Tsutomu Mashimo

Abstract:

Spherical shaped magnetite (Fe3O4) and Au@Fe3O4 nanoparticles were successfully synthesized from Fe electrodes immersed in water with CTAB surfactant and HAuCl4 solution using simple method-pulsed plasma in liquid, without the use of dopants or special conditions for stabilization. Vibrating sample magnetometer indicated ferromagnetic behavior of particles at room temperature with coercivity and saturation magnetization of (Hc=105 Oe, Ms=6.83 emu/g) for Fe3O4 and (Hc=175, Ms=3.56emu/g) for Au@Fe3O4 nanoparticles. Structure and morphology of nanoparticles were characterized by X-ray Diffraction analysis and HR-TEM measurements. The cytotoxicity of nanoparticles was indicated using a XTT assay to be very low (cell viability: 98-89% with Fe3O4 and 99-91% for Au@Fe3O4 NPs).

Keywords: Magnetite, Gold coated magnetite, Nanoparticles, Pulsed Plasma in Liquid, Cytotoxicity.

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Authors: Harriet Koshie Lamptey, Richard Boateng

Abstract:

Mobile learning (m-learning) is a novel approach to knowledge acquisition and dissemination and is gaining global attention. Steady progress in wireless technologies and the portability of communication devices continue to broaden the scope and use of mobiles. With the convergence of Web functionality onto mobile platforms and the affordability and availability of mobile technology, m-learning has the potential of being the next prevalent channel of education in both formal and informal settings. There is substantive literature on developed countries but the state in developing countries (DCs) however appears vague. This paper is a synthesis of extant literature on mobile learning in DCs. The research interest is based on the fact that in DCs, mobile communication and internet connectivity are popular. However, its use in education is under explored. There are some reviews on the state, conceptualizations, trends and teacher education, but to the authors’ knowledge, no study has focused on mobile learning adoption and integration issues. This study examines issues and gaps associated with its adoption and integration in DCs higher education institutions. A qualitative build-up of literature was conducted using articles pooled from electronic databases (Google Scholar and ERIC). To enable criteria for inclusion and incorporate diverse study perspectives, search terms used were m-learning, DCs, higher education institutions, challenges, benefits, impact, gaps and issues. The synthesis revealed that though mobile technology has diffused globally, its pedagogical pursuit in DCs remains quite low. The absence of a mobile Web and the difficulty of resource conversion into mobile format due to lack of funding and technical competence is a stumbling block. Again, the lack of established design and implementation rules to guide the development of m-learning platforms in DCs is a hindrance. The absence of access restrictions on devices poses security threats to institutional systems. Negative perceptions that devices are taking over faculty roles lead to resistance in some situations. Resistance to change can be a hindrance to the acceptance and success of new systems. Lack of interest for m-learning is also attributed to lower technological literacy levels of the underprivileged masses. Scholarly works on m-learning in DCs is yet to mature. Most technological innovations are handed down from developed countries, and this constantly creates a lag for DCs. Lack of theoretical grounding was also identified which reduces the objectivity of study reports. The socio-cultural terrain of DCs results in societies with different views and needs that have been identified as a hindrance to research. Institutional commitment decisions, adequate funding for the necessary infrastructural development as well as multiple stakeholder participation is important for project success. Evidence suggests that while adoption decisions are readily made, successful integration of the concept for its full benefits to be realized is often neglected. Recommendations to findings were made to provide possible remedies to identified issues.

Keywords: Developing countries, higher education institutions, mobile learning, literature review.

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Authors: Rui Antunes, Fernando V. Coito

Abstract:

This article presents the development of a neural network cognitive model for the classification and detection of different frequency signals. The basic structure of the implemented neural network was inspired on the perception process that humans generally make in order to visually distinguish between high and low frequency signals. It is based on the dynamic neural network concept, with delays. A special two-layer feedforward neural net structure was successfully implemented, trained and validated, to achieve minimum target error. Training confirmed that this neural net structure descents and converges to a human perception classification solution, even when far away from the target.

Keywords: Neural Networks, Signal Classification, Adaptative Filters, Cognitive Neuroscience

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Authors: Siyanee Hirunsalee, Paola Rizziand Hidehiko Kanegae

Abstract:

The fundamental objective of the university is to genuinely provide a higher education to mankind and society. Higher education institutions earn billions of dollars in research funds, granted by national government or related institutions, which literally came from taxpayers. Everyday universities consume those grants; in return, provide society with a human resource and research developments. However, not all taxpayers have their major concerns on those researches, other than that they are more curiously to see the project being build tangibly and evidently to certify what they pay for. This paper introduces the concept of University – Community Business Continuity Management for Disaster – Resilient City, which modified the concept of Business Continuity Management (BCM) toward university community to create advancing collaboration leading to the disaster – resilient community and city. This paper focuses on describing in details the backgrounds and principles of the concept and discussing the advantages and limitations of the concept.

Keywords: Business Continuity Management, Disaster ResilientCity, Disaster Management, University – Community Collaboration.

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Authors: Shuimiao Wan, Chao Yuan, Baoguang Tian

Abstract:

In this paper, a linear mixed model which has two random effects is broken up into two models. This thesis gets the parameter estimation of the original model and an estimation’s statistical qualities based on these two models. Then many important properties are given by comparing this estimation with other general estimations. At the same time, this paper proves the analysis of variance estimate (ANOVAE) about σ2 of the original model is equal to the least-squares estimation (LSE) about σ2 of these two models. Finally, it also proves that this estimation is better than ANOVAE under Stein function and special condition in some degree.

Keywords: Linear mixed model, Random effects, Parameter estimation, Stein function.

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Authors: Pardeep Singh, Sanjay Sharma, Parvinder S. Sandhu

Abstract:

This work aims to reduce the read power consumption as well as to enhance the stability of the SRAM cell during the read operation. A new 10-transisor cell is proposed with a new read scheme to minimize the power consumption within the memory core. It has separate read and write ports, thus cell read stability is significantly improved. A 16Kb SRAM macro operating at 1V supply voltage is demonstrated in 65 nm CMOS process. Its read power consumption is reduced to 24% of the conventional design. The new cell also has lower leakage current due to its special bit-line pre-charge scheme. As a result, it is suitable for low-power mobile applications where power supply is restricted by the battery.

Keywords: A 16Kb 10T-SRAM, 4x Read-Power Reduction

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Authors: Fahad Shahbaz Khan, Fahad Maqbool, Saad Razzaq, Kashif Irfan, Tehseen Zia

Abstract:

Expert systems are used extensively in many domains. This paper discusses the use of medical expert systems in Pakistan. Countries all over the world pay special attention on health facilities. A country like Pakistan faces a lot of trouble in health sector. Several attempts have been made in Pakistan to improve the health conditions of the people but the situation is still not encouraging. There is a shortage of doctors and other trained personnel in Pakistan. Expert systems can play a vital role in such cases where the medical expert is not readily available. The purpose of this paper is to analyze the role that such systems can play in improving the health conditions of the people in Pakistan.

Keywords: Medical Diagnostics, Expert Systems, Pakistan.

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Authors: Haibo Hu, Hong Xiang

Abstract:

Due to its special data structure and manipulative principle, Object-Oriented Database (OODB) has a particular security protection and authorization methods. This paper first introduces the features of security mechanism about OODB, and then talked about authorization checking process of OODB. Implicit authorization mechanism is based on the subject hierarchies, object hierarchies and access hierarchies of the security authorization modes, and simplifies the authorization mode. In addition, to combine with other authorization mechanisms, implicit authorization can make protection on the authorization of OODB expediently and effectively.

Keywords: Object-oriented database(OODB), security protection, authorization mechanism, implicit authorization, authorization check.

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Authors: Mikhail V. Khachaturyan, Inga A. Koryagina, Maria Nikishova

Abstract:

The study investigates the impact of the ongoing financial crisis, started in the 2^nd half of 2014, on marketing budgets spent by Fast-moving consumer goods companies. In these conditions, special importance is given to efficient possessory risk management systems. The main objective for establishing and developing possessory risk management systems for FMCG companies in a crisis is to analyze the data relating to the external environment and consumer behavior in a crisis. Another important objective for possessory risk management systems of FMCG companies is to develop measures and mechanisms to maintain and stimulate sales. In this regard, analysis of risks and threats which consumers define as the main reasons affecting their level of consumption become important. It is obvious that in crisis conditions the effective risk management systems responsible for development and implementation of strategies for consumer demand stimulation, as well as the identification, analysis, assessment and management of other types of risks of economic security will be the key to sustainability of a company. In terms of financial and economic crisis, the problem of forming and developing possessory risk management systems becomes critical not only in the context of management models of FMCG companies, but for all the companies operating in other sectors of the Russian economy. This study attempts to analyze the specifics of formation and development of company possessory risk management systems. In the modern economy, special importance among all the types of owner’s risks has the risk of reduction in consumer activity. This type of risk is common not only for the consumer goods trade. Study of consumer activity decline is especially important for Russia due to domestic market of consumer goods being still in the development stage, despite its significant growth. In this regard, it is especially important to form and develop possessory risk management systems for FMCG companies. The authors offer their own interpretation of the process of forming and developing possessory risk management systems within owner’s management models of FMCG companies as well as in Russian economy in general. Proposed methods and mechanisms of problem analysis of formation and development of possessory risk management systems in FMCG companies and the results received can be helpful for researchers interested in problems of consumer goods market development in Russia and overseas.

Keywords: FMCG companies, marketing budget, risk management, owner, Russian economy, organization, formation, development, system.

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Authors: Anatoli Torokhti, Stanley Miklavcic

Abstract:

Suppose KY and KX are large sets of observed and reference signals, respectively, each containing N signals. Is it possible to construct a filter F : KY → KX that requires a priori information only on few signals, p  N, from KX but performs better than the known filters based on a priori information on every reference signal from KX? It is shown that the positive answer is achievable under quite unrestrictive assumptions. The device behind the proposed method is based on a special extension of the piecewise linear interpolation technique to the case of random signal sets. The proposed technique provides a single filter to process any signal from the arbitrarily large signal set. The filter is determined in terms of pseudo-inverse matrices so that it always exists.

Keywords: Wiener filter, filtering of stochastic signals.

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Authors: Ifedapo Francis Awolowo

Abstract:

The unrelenting series of embarrassing audit failures should stimulate a paradigm shift in accounting. And in this age of information revolution, there is need for a constant improvement on the products or services one offers to the market in order to be relevant. This study explores the perceptions of external auditors, forensic accountants and accounting academics on whether a paradigm shift to forensic accounting can reduce financial statement frauds. Through Neo-empiricism/inductive analytical approach, findings reveal that a paradigm shift to forensic accounting might be the right step in the right direction in order to increase the chances of fraud prevention and detection in the financial statement. This research has implication on accounting education on the need to incorporate forensic accounting into present day accounting curriculum. Accounting professional bodies, accounting standard setters and accounting firms all have roles to play in incorporating forensic accounting education into accounting curriculum. Particularly, there is need to alter the ISA 240 to make the prevention and detection of frauds the responsibilities of bot those charged with the management and governance of companies and statutory auditors.

Keywords: Financial statement fraud, forensic accounting, fraud prevention and detection, auditing, audit expectation gap, corporate governance.

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Authors: Alcínia Z. Sampaio, Pedro G. Henriques

Abstract:

Three-dimensional geometric models have been used to present architectural and engineering works, showing their final configuration. When the clarification of a detail or the constitution of a construction step in needed, these models are not appropriate. They do not allow the observation of the construction progress of a building. Models that could present dynamically changes of the building geometry are a good support to the elaboration of projects. Techniques of geometric modeling and virtual reality were used to obtain models that could visually simulate the construction activity. The applications explain the construction work of a cavity wall and a bridge. These models allow the visualization of the physical progression of the work following a planned construction sequence, the observation of details of the form of every component of the works and support the study of the type and method of operation of the equipment applied in the construction. These models presented distinct advantage as educational aids in first-degree courses in Civil Engineering. The use of Virtual Reality techniques in the development of educational applications brings new perspectives to the teaching of subjects related to the field of civil construction.

Keywords: Education, Engineering, virtual reality, visualsimulation.

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Authors: Manouchehr Amiri

Abstract:

This article presents a general notion of physical bit information that is compatible with the basics of quantum mechanics and incorporates the Shannon entropy as a special case. This notion of physical information leads to the Binary Data Matrix model (BDM), which predicts the basic results of quantum mechanics, general relativity, and black hole thermodynamics. The compatibility of the model with holographic, information conservation, and Landauer’s principle is investigated. After deriving the “Bit Information principle” as a consequence of BDM, the fundamental equations of Planck, De Broglie, Bekenstein, and mass-energy equivalence are derived.

Keywords: Physical theory of information, binary data matrix model, Shannon information theory, bit information principle.

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Authors: Ashraf Pirasteh, Alireza Hidarnia, Ali Asghari, Soghrate Faghihzadeh, Fazlollah Ghofranipour

Abstract:

Background: Regular physical activity contributes positively to physical and psychological health. In the present study, the stages of change of physical activity and the total physical Aims: The aim of this study was to investigate the proportion of adolescent girls in each stages of change and the causative factors associated with physical activity such as the related social support and self efficacy in a sample of the high school students. Methods: In this study, Social Cognitive Theory (SCT) and the Transtheorical Model (TTM) guided instrument development. The data regarding the demographics, psychosocial determinants of physical activity, stage of change and physical activity was gathered by questionnaires. Several measures of psychosocial determinants of physical activity were translated from English into Persian using the back-translation technique. These translated measures were administered to 512 ninth and tenth-grade Iranian high school students for factor analysis. Results: The distribution of the stage of change for physical activity was as follow: 18/5% in precontemplation, 23.4% in contemplation, 38.2% in preparation, 4.6% in action and 15.3% in maintenance. They were in 80.1% pre-adoption stages (precontemplation stage, contemplation stage and preparation stage) and 19.9% post-adoption stages (action stage and maintenance stage) of physical activity. There was a significant relate between age and physical activity in adolescent girls (age-related decline of physical activity) p<0001. Conclusion: The findings of the present study can contribute to improve health behaviors and for administration of health promotion programs in the adolescent populations.

Keywords: Adolescent, Iranian girls, Physical activity, Stages of change

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Authors: Tosaphol Ratniyomchai, Uthai Jaithong, Thanatchai Kulworawanichpong

Abstract:

This paper presents an application of power line carrier (PLC) for electrical power telemetering. This system has a special capability of transmitting the measured values to a centralized computer via power lines. The PLC modem as a passive high-pass filter is designed for transmitting and receiving information. Its function is to send the information carrier together with transmitted data by superimposing it on the 50 Hz power frequency signal. A microcontroller is employed to function as the main processing of the modem. It is programmed for PLC control and interfacing with other devices. Each power meter, connected via a PLC modem, is assigned with a unique identification number (address) for distinguishing each device from one another.

Keywords: Power telemetering, Power line carrier, High-passfilter, Digital data transmission

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Authors: Aisha Tarek Noour, Nick Hubbard

Abstract:

Learner motivation is considered to be an important component for the Blended e-Learning (BL) Method. BL is an effective learning method in multiple domains, which opens several opportunities for its participants to engage in the learning environment. This research explores the learners’ perspective of BL according to the Self-Determination Theory (SDT). It identifies the opportunities and challenges for using the BL in Logistics Education (LE) in Egyptian Higher Education (HE). SDT is approached from different perspectives within the relationship between Intrinsic Motivation (IM), Extrinsic Motivation (EM) and Amotivation (AM). A self-administered face-to-face questionnaire was used to collect data from learners who were geographically widely spread around three colleges of International Transport and Logistics (CILTs) at the Arab Academy for Science, Technology and Maritime Transport (AAST&MT) in Egypt. Six hundred and sixteen undergraduates responded to a questionnaire survey. Respondents were drawn from three branches in Greater Cairo, Alexandria, and Port Said. The data analysis used was SPSS 22 and AMOS 18.

Keywords: Intrinsic Motivation, Extrinsic Motivation, Amotivation, Blended e-Learning, Self Determination Theory.

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Authors: Toshihiko Takemura, Makoto Osajima, Masatoshi Kawano

Abstract:

This paper includes a positive analysis to quantitatively grasp the relationship among vulnerability, information security incidents, and the countermeasures by using data based on a 2007 questionnaire survey for Japanese ISPs (Internet Service Providers). To grasp the relationships, logistic regression analysis is used. The results clarify that there are relationships between information security incidents and the countermeasures. Concretely, there is a positive relationship between information security incidents and the number of information security systems introduced as well as a negative relationship between information security incidents and information security education. It is also pointed out that (especially, local) ISPs do not execute efficient information security countermeasures/ investment concerned with systems, and it is suggested that they should positively execute information security education. In addition, to further heighten the information security level of Japanese telecommunication infrastructure, the necessity and importance of the government to implement policy to support the countermeasures of ISPs is insisted.

Keywords: Information security countermeasures, information security incidents, internet service providers, positive analysis

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Authors: Sevil Yildiz

Abstract:

Audio visual communication is a type of collective expression. Due to inform the masses, give direction to opinions, and establish public opinion, audio visual communication must be subjected to special restrictions. This has been stipulated in both the Constitution and the European Human Rights Agreement. This paper aims to review freedom of expression and its restriction in audio visual media. For this purpose, the authorization of the Radio and Television Supreme Council to impose sanctions as an independent administrative authority empowered to regulate the field of audio visual communication has been reviewed with regard to freedom of expression and its limits.

Keywords: Audio visual media, freedom of expression, its limits, Radio and Television Supreme Council.

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Authors: Ahmad T. Al-Taani, Noor Aldeen K. Al-Awad

Abstract:

In this study, a fuzzy similarity approach for Arabic web pages classification is presented. The approach uses a fuzzy term-category relation by manipulating membership degree for the training data and the degree value for a test web page. Six measures are used and compared in this study. These measures include: Einstein, Algebraic, Hamacher, MinMax, Special case fuzzy and Bounded Difference approaches. These measures are applied and compared using 50 different Arabic web-pages. Einstein measure was gave best performance among the other measures. An analysis of these measures and concluding remarks are drawn in this study.

Keywords: Text classification, HTML, web pages, machine learning, fuzzy logic, Arabic web pages.

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Authors: S. Heydarian

Abstract:

Proton transfer and hydrogen bonding are two aspects of the chemistry of hydrogen that respectively govern the behaviour and structure of many molecules, both simple and complex. All the theoretical enol and keto conformations of 1,3-diphenyl-1,3- propandion known as dibenzoylmethane (DBM), have been investigated by means of atoms in molecules (AIM) theory. It was found that the most stable conformers are those stabilized by hydrogen bridges.The aim of the present paper is a thorough conformational analysis of DBM (with special attention on chelated cis-enol conformers) in order to obtain detailed information on the geometrical parameters, relative stabilities and rotational motion of the phenyl groups. It is also important to estimate the barrier height for ptoton transfer and hydrogen bond strength, which are the main factors governing conformational stability.

Keywords: Acetylacetone, Atoms in molecules, Dibenzoylmethane, Intramolecular hydrogen bond, Resonanceconjugation

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Authors: Thomas Kampke

Abstract:

Equations with differentials relating to the inverse of an unknown function rather than to the unknown function itself are solved exactly for some special cases and numerically for the general case. Invertibility combined with differentiability over connected domains forces solutions always to be monotone. Numerical function inversion is key to all solution algorithms which either are of a forward type or a fixed point type considering whole approximate solution functions in each iteration. The given considerations are restricted to ordinary differential equations with inverted functions (ODEIs) of first order. Forward type computations, if applicable, admit consistency of order one and, under an additional accuracy condition, convergence of order one.

Keywords: Euler method, fixed points, golden section, multi-step procedures, Runge Kutta methods.

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