Search results for: Triangle and Trapezoid methods.

Authors: E. Dahlen

Abstract:

Inflation can be calculated from either the prices of consumer products or from salaries. This paper presents a logical exercise that shows it is easier to calculate inflation from salaries than from consumer products. While the prices of consumer products may change due to technological advancement, such as automation, which must be corrected for, salaries do not. If technological advancements are not accounted for within calculations based on consumer product prices, inflation can be confused with real wage changes, since both inflation and real wage changes affect the prices of consumer products. The method employed in this paper is a logical exercise. Logical arguments are presented that suggest the existence of many different feasible ways by which inflation can be determined. Then a short mathematical exercise will be presented which shows that one of these methods –using salaries – contains the fewest number of unknown parameters, and hence, is the preferred method, since the risk of mistakes is lower. From the results, it can be concluded that salaries, rather than consumer products, should be used to calculate inflation.

Keywords: Inflation, logic, math, real wages.

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Authors: Shaikha AlSanad , Andrew Gale, Rodger Edwards

Abstract:

Buildings and associated construction methods have a significant impact on the environment. As construction activity increases in Kuwait, there is a need to create design and construction strategies which will minimize the environmental impact of new buildings. Green construction is a design philosophy intended to improve the sustainability of construction by the minimization of resource depletion and CO2 emissions throughout the life cycle of buildings. This paper presents and discusses the results of a survey that was conducted in Kuwait, with the objective of investigating the awareness of developers and other stakeholders regarding their understanding and use of green construction strategies. The results of the survey demonstrate that whilst there seems to be a reasonable level of awareness amongst the stakeholders, this awareness is not currently well reflected in the design and construction practices actually being applied. It is therefore concluded is there is a pressing need for intervention from Government in order that the use of sustainable green design and construction strategies becomes the norm in Kuwait.

Keywords: Sustainability, Sustainable construction, Green Building, Environmental assessment

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Authors: Y. Q. Lv, C.K.M. Lee

Abstract:

This paper develops a quality estimation method with the application of fuzzy hierarchical clustering. Quality estimation is essential to quality control and quality improvement as a precise estimation can promote a right decision-making in order to help better quality control. Normally the quality of finished products in manufacturing system can be differentiated by quality standards. In the real life situation, the collected data may be vague which is not easy to be classified and they are usually represented in term of fuzzy number. To estimate the quality of product presented by fuzzy number is not easy. In this research, the trapezoidal fuzzy numbers are collected in manufacturing process and classify the collected data into different clusters so as to get the estimation. Since normal hierarchical clustering methods can only be applied for real numbers, fuzzy hierarchical clustering is selected to handle this problem based on quality standards.

Keywords: Quality Estimation, Fuzzy Quality Mean, Fuzzy Hierarchical Clustering, Fuzzy Number, Manufacturing system

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Authors: J. Grira, Y. Bédard, S. Roche

Abstract:

The aim of this research is to design a collaborative framework that integrates risk analysis activities into the geospatial database design (GDD) process. Risk analysis is rarely undertaken iteratively as part of the present GDD methods in conformance to requirement engineering (RE) guidelines and risk standards. Accordingly, when risk analysis is performed during the GDD, some foreseeable risks may be overlooked and not reach the output specifications especially when user intentions are not systematically collected. This may lead to ill-defined requirements and ultimately in higher risks of geospatial data misuse. The adopted approach consists of 1) reviewing risk analysis process within the scope of RE and GDD, 2) analyzing the challenges of risk analysis within the context of GDD, and 3) presenting the components of a risk-based collaborative framework that improves the collection of the intended/forbidden usages of the data and helps geo-IT experts to discover implicit requirements and risks.

Keywords: Collaborative risk analysis, intention of use, Geospatial database design, Geospatial data misuse.

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Authors: Ariyanti Mustapha

Abstract:

The development of Islamic jurisprudence since the first century of the hijra has fascinated many orientalists to explore the historiography of Islamic legislation. The practice of usul fiqh began during the lifetime of the Prophet Muhammad and was continued by the companions as the legal reasoning due to the absence of the legal injunction in the Qur’an and Sunnah. The orientalists propagated that the Roman and Jewish legislation were transplanted into Islamic jurisprudence and it was the primary reason for its progression. We used qualitative and comparative methods to analyze the orientalists’ views. Results showed that many erroneous facts were propagated by Goldziher and Schacht by claiming the parallels between the principles, methodologies, and fundamental concepts in Islamic jurisprudence and Roman Provincial law. The orientalists claimed that Islamic jurisprudence was derived from the corpus of Jewish Mishnah and Ha-kol. These judgments are used by the orientalists to prove the inferiority of Islamic jurisprudence. Nevertheless, many evidences have proven that Islamic legislation is capable of developing independently without any foreign transplant.

Keywords: Foreign transplant, ijtihad, orientalist, usul fiqh.

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Authors: Elena Lyakso, Olga Frolova, Yuri Matveev

Abstract:

The aim of the study is to determine the acoustic features of voice and speech of children with autism spectrum disorders (ASD) as a possible additional diagnostic criterion. The participants in the study were 95 children with ASD aged 5-16 years, 150 typically development (TD) children, and 103 adults – listening to children’s speech samples. Three types of experimental methods for speech analysis were performed: spectrographic, perceptual by listeners, and automatic recognition. In the speech of children with ASD, the pitch values, pitch range, values of frequency and intensity of the third formant (emotional) leading to the “atypical” spectrogram of vowels are higher than corresponding parameters in the speech of TD children. High values of vowel articulation index (VAI) are specific for ASD children’s speech signals. These acoustic features can be considered as diagnostic marker of autism. The ability of humans and automatic recognition of the psychoneurological state of children via their speech is determined.

Keywords: Autism spectrum disorders, biomarker of autism, child speech, voice features.

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Authors: Malgorzata Kurleto

Abstract:

This study is trying to analyse the organization of the anti-doping system globally (particularly in Poland). The analysis is going to show the concept of doping, indicating the types of doping, and list of banned substances and methods. The paper discusses ethical aspects of the global anti-doping system. The analysis is focusing on organization of global Anti-Doping Agency. The paper will try to describe the basic assumptions of regulations adopted by WADA, called "standards” as well organization and functioning of the Polish Anti-Doping Agency (including the legal basis: POLADA). The base for this discuss will be the Polish 2018 annual report, which shows the most important assumptions, implementation and the number of anti-doping proceedings conducted in Poland. The aim of this paper is to show ethical arguments on anti-doping management strategies.

Keywords: Anti-doping, ethical dilemmas, sports doping, WADA, POLADA.

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Authors: Miljan B. Petrović, Dušan B. Petrović, Goran S. Nikolić

Abstract:

This paper describes a method for AWGN (Additive White Gaussian Noise) variance estimation in noisy stochastic signals, referred to as Multiplicative-Noising Variance Estimation (MNVE). The aim was to develop an estimation algorithm with minimal number of assumptions on the original signal structure. The provided MATLAB simulation and results analysis of the method applied on speech signals showed more accuracy than standardized AR (autoregressive) modeling noise estimation technique. In addition, great performance was observed on very low signal-to-noise ratios, which in general represents the worst case scenario for signal denoising methods. High execution time appears to be the only disadvantage of MNVE. After close examination of all the observed features of the proposed algorithm, it was concluded it is worth of exploring and that with some further adjustments and improvements can be enviably powerful.

Keywords: Noise, signal-to-noise ratio, stochastic signals, variance estimation.

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Authors: Naresh Yadav, I.A. Khan, Sandeep Grover

Abstract:

This paper presents a methodology for operational and economic characteristics based evaluation and selection of a power plant using Graph theoretic approach. A universal evaluation index on the basis of Operational and economics characteristics of a plant is proposed which evaluates and ranks the various types of power plants. The index thus obtained from the pool of operational characteristics of the power plant attributes Digraph. The Digraph is developed considering Operational and economics attributes of the power plants and their relative importance for their smooth operation, installation and commissioning and prioritizing their selection. The sensitivity analysis of the attributes towards the objective has also been carried out in order to study the impact of attributes over the desired outcome i.e. the universal operational-economics index of the power plant.

Keywords: Power plant evaluation, Digraph methods, Matrixmethod, operational characteristics of Power plant, Gas turbines

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Authors: Quoc Khanh Dang, Thomas Bourdeaud’huy, Khaled Mesghouni, Armand Toguy´eni

Abstract:

This paper studies a train routing and scheduling problem for busy railway stations. Our objective is to allow trains to be routed in dense areas that are reaching saturation. Unlike traditional methods that allocate all resources to setup a route for a train and until the route is freed, our work focuses on the use of resources as trains progress through the railway node. This technique allows a larger number of trains to be routed simultaneously in a railway node and thus reduces their current saturation. To deal with this problem, this study proposes an abstract model and a mixed-integer linear programming formulation to solve it. The applicability of our method is illustrated on a didactic example.

Keywords: Busy railway stations, mixed-integer linear programming, offline railway station management, train platforming, train routing, train scheduling.

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Authors: Chien-Sheng Chen, Szu-Lin Su, Chuan-Der Lu

Abstract:

Wireless location is to determine the mobile station (MS) location in a wireless cellular communications system. When fewer base stations (BSs) may be available for location purposes or the measurements with large errors in non-line-of-sight (NLOS) environments, it is necessary to integrate all available heterogeneous measurements to achieve high location accuracy. This paper illustrates a hybrid proposed schemes that combine time of arrival (TOA) at three BSs and angle of arrival (AOA) information at the serving BS to give a location estimate of the MS. The proposed schemes mitigate the NLOS effect simply by the weighted sum of the intersections between three TOA circles and the AOA line without requiring a priori information about the NLOS error. Simulation results show that the proposed methods can achieve better accuracy when compare with Taylor series algorithm (TSA) and the hybrid lines of position algorithm (HLOP).

Keywords: Time of arrival (TOA), angle of arrival (AOA), non-line-of-sight (NLOS).

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Authors: V. Vassiliou, M. Menicou, M. Charalambides, J. DeCew, I. Tsukrov

Abstract:

Cyprus- offshore aquaculture industry has promising prospects taking into account that Cyprus is an island. Its production trend is increasing overtaking bigger countries such Greece and Italy. However, current mooring systems seem to be under-performing acting as obstacles for its future development. Furthermore, shallow coastal waters scarcity due to competing industries dictates future development to come by moving further from shore exposing fish farms and subsequently mooring systems to harsher environmental loadings. It is, therefore, of paramount importance to design mooring systems based on engineering and scientific principles and leave behind the present “trial and error" methods. This paper presents the current state of Cyprus- offshore aquaculture industry and focuses of its mooring designs by proposing a new methodology for designing more reliable systems, hence ensuring its future.

Keywords: Environmental loadings, mooring systems design, numerical modeling, offshore aquaculture

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Authors: Ehsan Ghanaei, Feridun Esmaeilzadeh, Jamshid Fathi Kaljahi

Abstract:

In the previous multi-solid models,¤ò approach is used for the calculation of fugacity in the liquid phase. For the first time, in the proposed multi-solid thermodynamic model,γ approach has been used for calculation of fugacity in the liquid mixture. Therefore, some activity coefficient models have been studied that the results show that the predictive Wilson model is more appropriate than others. The results demonstrate γ approach using the predictive Wilson model is in more agreement with experimental data than the previous multi-solid models. Also, by this method, generates a new approach for presenting stability analysis in phase equilibrium calculations. Meanwhile, the run time in γ approach is less than the previous methods used ¤ò approach. The results of the new model present 0.75 AAD % (Average Absolute Deviation) from the experimental data which is less than the results error of the previous multi-solid models obviously.

Keywords: Multi-solid thermodynamic model, PredictiveWilson model, Wax formation.

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Authors: Fangfang Chen, Chunlu Wang, Zhihong Tian, Shuyuan Jin, Tianle Zhang

Abstract:

Attack graph is an integral part of modeling the overview of network security. System administrators use attack graphs to determine how vulnerable their systems are and to determine what security measures to deploy to defend their systems. Previous methods on AGG(attack graphs generation) are aiming at the whole network, which makes the process of AGG complex and non-scalable. In this paper, we propose a new approach which is simple and scalable to AGG by decomposing the whole network into atomic domains. Each atomic domain represents a host with a specific privilege. Then the process for AGG is achieved by communications among all the atomic domains. Our approach simplifies the process of design for the whole network, and can gives the attack graphs including each attack path for each host, and when the network changes we just carry on the operations of corresponding atomic domains which makes the process of AGG scalable.

Keywords: atomic domain, vulnerability, attack graphs, generation, computer security

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Authors: A. Nachour, L. Ouzizi, Y. Aoura

Abstract:

Recent developments on multi-agent system have brought a new research field on image processing. Several algorithms are used simultaneously and improved in deferent applications while new methods are investigated. This paper presents a new automatic method for edge detection using several agents and many different actions. The proposed multi-agent system is based on parallel agents that locally perceive their environment, that is to say, pixels and additional environmental information. This environment is built using Vector Field Convolution that attract free agent to the edges. Problems of partial, hidden or edges linking are solved with the cooperation between agents. The presented method was implemented and evaluated using several examples on different synthetic and medical images. The obtained experimental results suggest that this approach confirm the efficiency and accuracy of detected edge.

Keywords: Edge detection, medical MR images, multi-agent systems, vector field convolution.

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Authors: S. A. Ahmadi, S. Sharif, R. Jamshidi

Abstract:

In this article, the flow behavior around a NACA 0012 airfoil which is oscillating with different Reynolds numbers and in various amplitudes has been investigated numerically. Numerical simulations have been performed with ANSYS software. First, the 2- D geometry has been studied in different Reynolds numbers and angles of attack with various numerical methods in its static condition. This analysis was to choose the best turbulent model and comparing the grids to have the optimum one for dynamic simulations. Because the analysis was to study the blades of wind turbines, the Reynolds numbers were not arbitrary. They were in the range of 9.71e5 to 22.65e5. The angle of attack was in the range of -41.81° to 41.81°. By choosing the forward wind speed as the independent parameter, the others like Reynolds and the amplitude of the oscillation would be known automatically. The results show that the SST turbulent model is the best choice that leads the least numerical error with respect the experimental ones. Also, a dynamic stall phenomenon is more probable at lower wind speeds in which the lift force is less.

Keywords: Dynamic stall, Numerical simulation, Wind turbine, Turbulent Model

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Authors: A. Alsaadi, B. Gholami

Abstract:

An effective approach for unbalanced three-phase distribution power flow solutions is proposed in this paper. The special topological characteristics of distribution networks have been fully utilized to make the direct solution possible. Two matrices–the bus-injection to branch-current matrix and the branch-current to busvoltage matrix– and a simple matrix multiplication are used to obtain power flow solutions. Due to the distinctive solution techniques of the proposed method, the time-consuming LU decomposition and forward/backward substitution of the Jacobian matrix or admittance matrix required in the traditional power flow methods are no longer necessary. Therefore, the proposed method is robust and time-efficient. Test results demonstrate the validity of the proposed method. The proposed method shows great potential to be used in distribution automation applications.

Keywords: Distribution power flow, distribution automation system, radial network, unbalanced networks.

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Authors: Keivan Karimlou, Nemat Hassani, Abdollah Rashidi Mehrabadi

Abstract:

Climate change, industrial bloom, population growth and mismanagement are the most important factors that lead to water shortages around the world. Water shortages often lead to forced immigration, war, and thirst and hunger, especially in developing countries. One of the simplest solutions to solve the water shortage issues around the world is transferring water from one watershed to another; however it may not be a suitable solution. Water managers around the world use supply and demand management methods to decrease the incidence of water shortage in a sustainable manner. But as a matter of economic constraints, they must define a method to select the best possible action to reduce and limit water shortages. The following paper recognizes different kinds of criteria to select the best possible policy for reducing water shortage in mega cities by examining a comprehensive literature review.

Keywords: Criteria, management, shortage, sustainable, water.

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Authors: Y. Benjelloun Touimi, N. Faddouli, S. Bennani, M. Khalidi Idrissi

Abstract:

The pedagogy project has been proven as an active learning method, which is used to develop learner-s skills and knowledge.The use of technology in the learning world, has filed several gaps in the implementation of teaching methods, and online evaluation of learners. However, the project methodology presents challenges in the assessment of learners online. Indeed, interoperability between E-learning platforms (LMS) is one of the major challenges of project-based learning assessment. Firstly, we have reviewed the characteristics of online assessment in the context of project-based teaching. We addressed the constraints encountered during the peer evaluation process. Our approach is to propose a meta-model, which will describe a language dedicated to the conception of peer assessment scenario in project-based learning. Then we illustrate our proposal by an instantiation of the meta-model through a business process in a scenario of collaborative assessment on line.

Keywords: Online project based learning, meta-model, peer assessment process.

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Authors: Adriana Ávila Zúñiga Nordfjeld

Abstract:

This paper provides a literature review to document the state of the art with respect to handling “human bias” in decision making within the established quality management systems (QMS) and LEAN theory, in the context of shipbuilding. Previous research shows that in shipbuilding there is a huge deviation from the planned man-hours under the project management to the actual man-hours used because of errors in planning and reworks caused by human bias in the information flows, among others. This reduces the efficiency, and increases operational costs. Thus, the research question is how QMS and LEAN handle biases. The findings show the gap in studying the integration of methods to handle human bias in decision making into QMS and lean, not only within shipbuilding, but in general. Theoretical and practical implications are discussed for researchers and practitioners in the areas of decision making, QMS and LEAN, and future research is suggested.

Keywords: Human bias, decision making, LEAN Shipbuilding, quality management systems.

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Authors: P. Suriyachai, N. Thavarungkul, P. Sae-oui

Abstract:

In this research sodium bicarbonate (NaHCO3) was introduced to generate carbon dioxide gas (CO2) to the existing nitrogen gas (N2) of elastomeric foam, to lower thermal conductivity (K). Various loadings of NaHCO3 (0 to 60 phr) were added into the azodicarbonamide (AZC)-containing compound and its properties were then determined. Two vulcanization methods, i.e., hot air and infrared (IR), were employed and compared in this study. Results revealed that compound viscosity tended to increase slightly with increasing NaHCO3 content but cure time was delayed. The effect of NaHCO3 content on thermal conductivity depended on the vulcanization method. For hot air method, the thermal conductivity was insignificantly changed with increasing NaHCO3 up to 40 phr whereas it tended to decrease gradually for IR method. At higher NaHCO3 content (60 phr), unexpected increase of thermal conductivity was observed. The water absorption was also determined and foam structures were then used to explain the results.

Keywords: sodium bicarbonate, thermal conductivity, hot airmethod, infrared method

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Authors: Haytham Yassine

Abstract:

This research seeks to identify how money laundering activities are executed through the real estate sector. This article provides academics with literature on the topic and provides scholars, and practitioners with a better understanding of the risks and challenges involved. Data are gathered through survey in the Middle East and North Africa region and review of the available research. The results of the analysis will help identifying the factors attracting criminals to the real estate sector and develop an understanding of the methods used to launder illicit funds through this sector and the indicators of suspicion for reporting entities. Further analysis reveals the risks posed by money laundering and terrorist financing on the real estate sector and challenges facing states in this regard.

Keywords: Money laundering, terrorism financing, real estate sector, Middle East and North Africa.

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Authors: M. Jaditager, J. Lovisa, N. Sivakugan

Abstract:

The Port of Townsville conducts regular annual maintenance dredging to maintain depths of its harbor basin and approach channels for the navigational safety of the vessels against the natural accumulation of marine sediments. In addition to the regular maintenance dredging, the port undertakes emergency dredging in cases where large quantities of sediments are mobilized and deposited in port waters by cyclone or major flood events. The maintenance dredging material derived from the port may be disposed at sea or on land in accordance with relevant state and commonwealth regulations. For the land disposal, the dredged mud slurry is hydraulically placed into containment ponds and left to undergo sedimentation and self-weight consolidation to form fill material for land reclamation. This paper provides an overview of the maintenance dredging at the Port of Townsville and emphasis on maintenance dredging requirements, sediment quality, bathymetry, dredging methods used, and dredged material disposal options.

Keywords: Consolidation, dredged material, maintenance dredging, marine sediments, sedimentation.

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Authors: Redha Elhuni, M. Munir Ahmad

Abstract:

The main purpose of this research is to construct a generic model for successful implementation of Total Quality Management (TQM) in Oil sector, and to find out the effects of this model on the organizational sustainability development (OSD) performance of Libyan oil and gas companies using the structured equation modeling (SEM) approach. The research approach covers both quantitative and qualitative methods. A questionnaire was developed in order to identify the quality factors that are seen by Libyan oil and gas companies to be critical to the success of TQM implementation. Hypotheses were developed to evaluate the impact of TQM implementation on O SD. Data analysis reveals that there is a significant positive effect of the TQM implementation on OSD. 24 quality factors are found to be critical and absolutely essential for successful TQM implementation. The results generated a structure of the TQMSD implementation framework based on the four major road map constructs (Top management commitment, employee involvement and participation, customer-driven processes, and continuous improvement culture).

Keywords: TQM, CQFs, Oil & Gas, OSD, Libya.

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Authors: Mohamed A. Sullabi

Abstract:

The importance of the formal specification in the software life cycle is barely concealing to anyone. Formal specifications use mathematical notation to describe the properties of information system precisely, without unduly constraining the way in how these properties are achieved. Having a correct and quality software specification is not easy task. This study concerns with how a group of rectifiers can communicate with each other and work to prepare and produce a correct formal software specification. WBCS has been implemented based mainly in the proposed supported cooperative work model and a survey conducted on the existing Webbased collaborative writing tools. This paper aims to assess the feasibility of executing the web-based collaboration process using WBCS. The purpose of conducting this test is to test the system as a whole for functionality and fitness for use based on the evaluation test plan.

Keywords: Formal methods, Formal specifications, collaborative writing, Usability testing.

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Authors: M. Jahangiri Lahkani, Gh. Ghassemi, N. Sohrabi, N. Rasooli

Abstract:

Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.

Keywords: Frequency Calculation, Hartree-Fock (HF), Nucleous Independent Chemical Shift (NICS), Salen(bis(Salicylidene)1, 2-ethylenediamine).

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Authors: Mario Gómez, José Carlos Rodríguez

Abstract:

This paper analyzes innovation trends in South Korea by means of the number of patent applications filed by residents and nonresidents during the period 1965 to 2012. Making use of patent data released by the World Intellectual Property Organization (WIPO), we search for the presence of multiple structural changes in patent application series in this country. These changes may suggest that firms’ innovative activity has been modified as a result of implementing some science, technology and innovation (STI) policies. Accordingly, the new regulations implemented in this country in the last decades have influenced its innovative activity. The question conducting this research is thus how STI policies in South Korea have influenced its innovation activity. The results confirm the existence of multiple structural changes in the series of patent applications resulting from alternative STI policies implemented during these years.

Keywords: Econometric methods, innovation activity, South Korea, patent applications, science, technology and innovation (STI) policy.

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Authors: Taimur Qureshi, Djamel A Zighed

Abstract:

Many supervised induction algorithms require discrete data, even while real data often comes in a discrete and continuous formats. Quality discretization of continuous attributes is an important problem that has effects on speed, accuracy and understandability of the induction models. Usually, discretization and other types of statistical processes are applied to subsets of the population as the entire population is practically inaccessible. For this reason we argue that the discretization performed on a sample of the population is only an estimate of the entire population. Most of the existing discretization methods, partition the attribute range into two or several intervals using a single or a set of cut points. In this paper, we introduce a technique by using resampling (such as bootstrap) to generate a set of candidate discretization points and thus, improving the discretization quality by providing a better estimation towards the entire population. Thus, the goal of this paper is to observe whether the resampling technique can lead to better discretization points, which opens up a new paradigm to construction of soft decision trees.

Keywords: Bootstrap, discretization, resampling, soft decision trees.

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: A. S. Kipcak, P. Gurses, E. Moroydor Derun, S. Piskin

Abstract:

Borate minerals have attracted considerable attention in the past years due to their structural chemistry and mechanical properties in several industries. Recently, increasing attention has been paid to the use of; synthetically produced magnesium borates as catalysts reinforcing material for plastics, the conversion of hydrocarbons, electro-conductive treating agent, anti-wear and anti-corrosion materials. Magnesium borates can be synthesized by several methods such as; hydrothermal and solid-state (thermal) processes. In this study the hydrothermal production method was applied at the modest temperature of 80C along with convenient crystal growth. Using MgCl2.6H2O, H3BO3, and NaOH as starting materials, 30, 60, 120, 240 minutes of reaction times were studied. After all, the crystal structure and the morphology of the products were examined by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). As a result the forms of Admontite and Mcallisterite minerals were synthesized.

Keywords: FT-IR, hydrothermal method, magnesium borates, XRD.

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