Atoms in Molecules, An Other Method For Analyzing Dibenzoylmethane

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.

Stepwise Refinement in Executable-UML for Embedded System Design: A Preliminary Study

The fast growth in complexity coupled with requests for shorter development periods for embedded systems are bringing demands towards a more effective, i.e. higher-abstract, design process for hardaware/software integrated design. In Software Engineering area, Model Driven Architecture (MDA) and Executable UML (xUML) has been accepted to bring further improvement in software design. This paper constructs MDA and xUML stepwise transformations from an abstract specification model to a more concrete implementation model using the refactoring technique for hardaware/software integrated design. This approach provides clear and structured models which enables quick exploration and synthesis, and early stage verification.

An Implementation of Stipple Operations

Stipples are desired for pattern fillings and transparency effects. In contrast, some graphics standards, including OpenGL ES 1.1 and 2.0, omitted this feature. We represent details of providing line stipples and polygon stipples, through combining texture mapping and alpha blending functions. We start from the OpenGL-specified stipple-related API functions. The details of mathematical transformations are explained to get the correct texture coordinates. Then, the overall algorithm is represented, and its implementation results are followed. We accomplished both of line and polygon stipples, and verified its result with conformance test routines.

Comparative Study of Transformed and Concealed Data in Experimental Designs and Analyses

This paper presents the comparative study of coded data methods for finding the benefit of concealing the natural data which is the mercantile secret. Influential parameters of the number of replicates (rep), treatment effects (τ) and standard deviation (σ) against the efficiency of each transformation method are investigated. The experimental data are generated via computer simulations under the specified condition of the process with the completely randomized design (CRD). Three ways of data transformation consist of Box-Cox, arcsine and logit methods. The difference values of F statistic between coded data and natural data (Fc-Fn) and hypothesis testing results were determined. The experimental results indicate that the Box-Cox results are significantly different from natural data in cases of smaller levels of replicates and seem to be improper when the parameter of minus lambda has been assigned. On the other hand, arcsine and logit transformations are more robust and obviously, provide more precise numerical results. In addition, the alternate ways to select the lambda in the power transformation are also offered to achieve much more appropriate outcomes.

Analysis of Key Factors for Formation of Strategic Alliances in Liner Shipping Company: Service Quality Perspective on Asia/Europe Route after Global Economic Crisis

Strategic alliances generally mean the cooperation or collaboration between firms which pursue for a synergy that each member hopes the benefits from the alliances would be much more than those from individual efforts. Past researches provide us sufficient theories and considerations for alliance forming in liner shipping market. This research reviews important academic journals for the past decade regarding to the most important reasons to form the alliances. We would explain the motive of alliances and details of shipping cooperation in literature review. The paper also empirically investigates the key service quality requirements improved through alliances by using quality function deployment (QFD). Moreover, the research investigates famous shipping reports, shipping consultant websites and most recent shipping publications to find out the executive-s viewpoint of several leading carriers among top 20 to assess current shipping strategic alliance on Asia/Europe route. These comments provide meaningful managerial reasons to consider alliance formations and search if there is any gap between the theories and industrial practice. Analysis of the empirical investigation and top management-s perspective on current market situation will contribute us some meaningful managerial suggestions to evaluate these theories applied to current strategic alliances.

In Silico Analysis of Quinoxaline Ligand Conformations on 1ZIP: Adenylate Kinase

Adenylate kinase (AK) catalyse the phosphotransferase reaction plays an important role in cellular energy homeostasis. The inhibitors of bacterial AK are useful in the treatment of several bacterial infections. To the novel inhibitors of AK, docking studies performed by using the 3D structure of Bacillus stearothermophilus adenylate kinase from protein data bank (IZIP). 46 Quinoxaline analogues were docked in 1ZIP and selected the highly interacting compounds based on their binding energies, for further studies

Development of Admire Longitudinal Quasi-Linear Model by using State Transformation Approach

This paper presents a longitudinal quasi-linear model for the ADMIRE model. The ADMIRE model is a nonlinear model of aircraft flying in the condition of high angle of attack. So it can-t be considered to be a linear system approximately. In this paper, for getting the longitudinal quasi-linear model of the ADMIRE, a state transformation based on differentiable functions of the nonscheduling states and control inputs is performed, with the goal of removing any nonlinear terms not dependent on the scheduling parameter. Since it needn-t linear approximation and can obtain the exact transformations of the nonlinear states, the above-mentioned approach is thought to be appropriate to establish the mathematical model of ADMIRE. To verify this conclusion, simulation experiments are done. And the result shows that this quasi-linear model is accurate enough.

Counter-Policies by Industrial Countries to Tackle Global Warming, from Perspective of the Kyoto Protocol

In accordance with environmental impacts contended in Kyoto Protocol, the study aims to explore the different administrative and non-administrative measurements that industrial countries, such as America, German, Japan, Korea, Holland and British take to face with the increasing Global Warming phenomena. By large, these measurements consist of versatile dimensions, including of education and advocating, economical instruments, research developments and instances, restricted instruments, voluntary contacts, exchangeable permit for carbon-release and public investments. The results of discussion for the study are as follows: both economical impacts as well as reformations for nations that are affected via Kyoto Protocol, and human testifying for variables of global surroundings in the age of Kyoto Protocol.

Examining the Pearlite Growth Interface in a Fe-C-Mn Alloy

A method of collecting composition data and examining structural features of pearlite lamellae and the parent austenite at the growth interface in a 13wt. % manganese steel has been demonstrated with the use of Scanning Transmission Electron Microscopy (STEM). The combination of composition data and the structural features observed at the growth interface show that available theories of pearlite growth cannot explain all the observations.

Simulation Tools for Fixed Point DSP Algorithms and Architectures

This paper presents software tools that convert the C/Cµ floating point source code for a DSP algorithm into a fixedpoint simulation model that can be used to evaluate the numericalperformance of the algorithm on several different fixed pointplatforms including microprocessors, DSPs and FPGAs. The tools use a novel system for maintaining binary point informationso that the conversion from floating point to fixed point isautomated and the resulting fixed point algorithm achieves maximum possible precision. A configurable architecture is used during the simulation phase so that the algorithm can produce a bit-exact output for several different target devices.

Domin-Specific Language for Enabling End- Users Model-Driven Information System Engineering

This Paper presents an on-going research in the area of Model-Driven Engineering (MDE). The premise is that UML is too unwieldy to serve as the basis for model-driven engineering. We need a smaller, simpler notation with a cleaner semantics. We propose some ideas for a simpler notation with a clean semantics. The result is known as μML, or the Micro-Modelling Language.

Gas-Liquid Flow on Smooth and Textured Inclined Planes

Carbon Capture & Storage (CCS) is one of the various methods that can be used to reduce the carbon footprint of the energy sector. This paper focuses on the absorption of CO2 from flue gas using packed columns, whose efficiency is highly dependent on the structure of the liquid films within the column. To study the characteristics of liquid films a CFD solver, OpenFOAM is utilised to solve two-phase, isothermal film flow using the volume-of-fluid (VOF) method. The model was validated using existing experimental data and the Nusselt theory. It was found that smaller plate inclination angles, with respect to the horizontal plane, resulted in larger wetted areas on smooth plates. However, only a slight improvement in the wetted area was observed. Simulations were also performed using a ridged plate and it was observed that these surface textures significantly increase the wetted area of the plate. This was mainly attributed to the channelling effect of the ridges, which helped to oppose the surface tension forces trying to minimise the surface area. Rivulet formations on the ridged plate were also flattened out and spread across a larger proportion of the plate width.

Pyrite from Zones of Mz-Kz Reactivation of Large Faults on the Eastern Slope of the Ural Mountains, Russia

Pyritisation halos are identified in weathering crusts and unconsolidated formations at five locations within large fault structure of the Urals’ eastern slope. Electron microscopy reveals the presence of inclusions and growths on pyrite faces – normally on cubic pyrite with striations, or combinations of cubes and other forms. Following neogenesis types are established: native elements and intermetallic compounds (including gold and silver), halogenides, sulphides, sulfosalts, tellurides, sulphotellurides, selenides, tungstates, sulphates, phosphates, carbon-based substances. Direct relationship is noted between amount and diversity of such mineral phases, and proximity to and scale of ore-grade mineralization. Gold and silver, both in native form and within tellurides, presence of lead (galena, native lead), native tungsten, and, possibly, molybdenite and sulfosalts can indicate gold-bearing formations. First find of native tungsten in the Urals is for the first time – in crystallised and druse-like form. Link is suggested between unusual mineralization and “reducing” hydrothermal fluids from deep-seated faults at later stages of Urals’ reactivation. 

International Financial Crises and the Political Economy of Financial Reforms in Turkey: 1994-2009

This study1 holds for the formation of international financial crisis and political factors for economic crisis in Turkey, are evaluated in chronological order. The international arena and relevant studies conducted in Turkey work in the literature are assessed. The main purpose of the study is to hold the linkage between the crises and political stability in Turkey in details, and to examine the position of Turkey in this regard. The introduction part follows the literature survey on the models explaining causes and results of the crises, the second part of the study. In the third part, the formations of the world financial crises are studied. The fourth part, financial crisis in Turkey in 1994, 2000, 2001 and 2008 are reviewed and their political reasons are analyzed. In the last part of the study the results and recommendations are held. Political administrations have laid the grounds for an economic crisis in Turkey. In this study, the emergence of an economic crisis in Turkey and the developments after the crisis are chronologically examined and an explanation is offered as to the cause and effect relationship between the political administration and economic equilibrium in the country. Economic crises can be characterized as follows: high prices of consumables, high interest rates, current account deficits, budget deficits, structural defects in government finance, rising inflation and fixed currency applications, rising government debt, declining savings rates and increased dependency on foreign capital stock. Entering into the conditions of crisis during a time when the exchange value of the country-s national currency was rising, speculative finance movements and shrinking of foreign currency reserves happened due to expectations for devaluation and because of foreign investors- resistance to financing national debt, and a financial risk occurs. During the February 2001 crisis and immediately following, devaluation and reduction of value occurred in Turkey-s stock market. While changing over to the system of floating exchange rates in the midst of this crisis, the effects of the crisis on the real economy are discussed in this study. Administered politics include financial reforms, such as the rearrangement of banking systems. These reforms followed with the provision of foreign financial support. There have been winners and losers in the imbalance of income distribution, which has recently become more evident in Turkey-s fragile economy.

Higher Education in Kazakhstan: New Opportunities and Problems of Crystallization of the Middle Strata Status

Education in the modern world provides the socioeconomic progress of society. In today's society, where the presence of large middle class ensures its stability and is a symbol of resolution of hidden economic problems, education is an integral part of formation and reproduction of the middle class. This article presents part of results of the sociological study conducted under the project "Kazakhstan model of education: international experience and national traditions" supported by the Foundation of the First President of Republic of Kazakhstan - Leader of the Nation to determine the ratio of students to the transformations of the educational system. The authors conclude that the Kazakhstani system of education, passing through the transformation processes, improving the quality of educational programs and trying to correspond to the international standards, not yet in full range, but begins to perform important functions in the formation of the middle class.

Strategies for Development of Information Society in Montenegro

Creation of information society, or in other words, a society based on knowledge, has wide consequences, both on individual and complete society, and in general – on a economy of one country. Development and implementation of ICT represents a stimulant for economic growth. On individual level, knowledge, skills and information gathered using ICT, are expanding individual possibilities of persons, enabling them to have access to timely sensitive information, such as market prices or investment conditions, possibilities to access Government-s or private development funds, etc. By doing so, productivity is increased both on individual and national level and therefore social wellbeing in general. In one word, creation of information society - a knowledge society is happening. This work will describe challenges and strategies that will follow the development as well as obstacles in creating information society – knowledge society in Montenegro.

Simulation of Organic Matter Variability on a Sugarbeet Field Using the Computer Based Geostatistical Methods

Computer based geostatistical methods can offer effective data analysis possibilities for agricultural areas by using vectorial data and their objective informations. These methods will help to detect the spatial changes on different locations of the large agricultural lands, which will lead to effective fertilization for optimal yield with reduced environmental pollution. In this study, topsoil (0-20 cm) and subsoil (20-40 cm) samples were taken from a sugar beet field by 20 x 20 m grids. Plant samples were also collected from the same plots. Some physical and chemical analyses for these samples were made by routine methods. According to derived variation coefficients, topsoil organic matter (OM) distribution was more than subsoil OM distribution. The highest C.V. value of 17.79% was found for topsoil OM. The data were analyzed comparatively according to kriging methods which are also used widely in geostatistic. Several interpolation methods (Ordinary,Simple and Universal) and semivariogram models (Spherical, Exponential and Gaussian) were tested in order to choose the suitable methods. Average standard deviations of values estimated by simple kriging interpolation method were less than average standard deviations (topsoil OM ± 0.48, N ± 0.37, subsoil OM ± 0.18) of measured values. The most suitable interpolation method was simple kriging method and exponantial semivariogram model for topsoil, whereas the best optimal interpolation method was simple kriging method and spherical semivariogram model for subsoil. The results also showed that these computer based geostatistical methods should be tested and calibrated for different experimental conditions and semivariogram models.

Three Dimensional Analysis of Sequential Quasi Isotropic Composite Disc for Rotating Machine Application

Composite laminates are relatively weak in out of plane loading, inter-laminar stress, stress concentration near the edge and stress singularities. This paper develops a new analytical formulation for laminated composite rotating disc fabricated from symmetric sequential quasi isotropic layers to predict three dimensional stress and deformation. This analysis is necessary to evaluate mechanical integrity of fiber reinforced multi-layer laminates used for high speed rotating applications such as high speed impellers. Three dimensional governing equations are written for rotating composite disc. Explicit solution is obtained with "Frobenius" expansion series. Based on analytical results, there are two separate zones of three dimensional stress fields in centre and edge of rotating disc. For thin discs, out of plane deformations and stresses are small in comparison with plane ones. For relatively thick discs deformation and stress fields are three dimensional.

Effects of Sea Water Level Fluctuations on Seismic Response of Jacket Type Offshore Platforms

To understand the seismic behavior of the offshore structures, the dynamic interaction of the water-structure-soil should be assessed. In this regard the role of the water dynamic properties in magnifying or reducing of the effects of earthquake induced motions on offshore structures haven't been investigated in precise manner in available literature. In this paper the sea water level fluctuations effects on the seismic behavior of a sample of offshore structures has been investigated by emphasizing on the water-structure interaction phenomenon. For this purpose a two dimensional finite element model of offshore structures as well as surrounded water has been developed using ANSYS software. The effect of soil interaction with embedded pile foundation has been imposed by using a series of nonlinear springs in horizontal and vertical directions in soil-piles contact points. In the model, the earthquake induced motions have been applied on springs and consequently the motions propagated upward to the structure and surrounded water. As a result of numerical study, the horizontal deformations of the offshore deck as well as internal force and buckling coefficient in structural elements have been recorded and controlled with and without water presence. In part of study a parametric study has been accomplished on sea water level fluctuations and effect of this parameter has been studied on the aforementioned numerical results.

Design of Domain-Specific Software Systems with Parametric Code Templates

Domain-specific languages describe specific solutions to problems in the application domain. Traditionally they form a solution composing black-box abstractions together. This, usually, involves non-deep transformations over the target model. In this paper we argue that it is potentially powerful to operate with grey-box abstractions to build a domain-specific software system. We present parametric code templates as grey-box abstractions and conceptual tools to encapsulate and manipulate these templates. Manipulations introduce template-s merging routines and can be defined in a generic way. This involves reasoning mechanisms at the code templates level. We introduce the concept of Neurath Modelling Language (NML) that operates with parametric code templates and specifies a visualisation mapping mechanism for target models. Finally we provide an example of calculating a domain-specific software system with predefined NML elements.