Application of Computational Methods Mm2 and Gussian for Studing Unimolecular Decomposition of Vinil Ethers based on the Mechanism of Hydrogen Bonding

Investigations of the unimolecular decomposition of vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl ether (VBE) have shown that activation of the molecule of a ether results in formation of a cyclic construction - the transition state (TS), which may lead to the displacement of the thermodynamic equilibrium towards the reaction products. The TS is obtained by applying energy minimization relative to the ground state of an ether under the program MM2 when taking into account the hydrogen bond formation between a hydrogen atom of alkyl residue and the extreme atom of carbon of the vinyl group. The dissociation of TS up to the products is studied by energy minimization procedure using the mathematical program Gaussian. The obtained calculation data for VEE testify that the decomposition of this ether may be conditioned by hydrogen bond formation for two possible versions: when α- or β- hydrogen atoms of the ethyl group are bound to carbon atom of the vinyl group. Applying the same calculation methods to other ethers (VPE and VBE) it is shown that only in the case of hydrogen bonding between α-hydrogen atom of the alkyl residue and the extreme atom of carbon of the vinyl group (αH---C) results in decay of theses ethers.

Influence of UV Treatment on the Electrooptical Properties of Indium Tin Oxide Films Used in Flexible Displays

Indium-tin oxide films are deposited by low plasma temperature RF sputtering on highly flexible modification of glycol polyethyleneterephtalate substrates. The produced layers are characterized with transparency over 82 % and sheet resistance of 86.9 Ω/square. The film’s conductivity was further improved by additional UV illumination from light source (365 nm), having power of 250 W. The influence of the UV exposure dose on the structural and electro-optical properties of ITO was investigated. It was established that the optimum time of illumination is 10 minutes and further UV treatment leads to polymer substrates degradation. Structural and bonds type analysis show that at longer treatment carbon atoms release and diffuse into ITO films, which worsen their electrical behavior. For the optimum UV dose the minimum sheet resistance was measured to be 19.2 Ω/square, and the maximum transparency remained almost unchanged – above 82 %.

Improvement of Stator Slot Structure based on Insulation Stresses Analysis in HV Generator

High voltage generators are being subject to higher voltage rating and are being designed to operate in harsh conditions. Stator windings are the main component of generators in which Electrical, magnetical and thermal stresses remain major failures for insulation degradation accelerated aging. A large number of generators failed due to stator winding problems, mainly insulation deterioration. Insulation degradation assessment plays vital role in the asset life management. Mostly the stator failure is catastrophic causing significant damage to the plant. Other than generation loss, stator failure involves heavy repair or replacement cost. Electro thermal analysis is the main characteristic for improvement design of stator slot-s insulation. Dielectric parameters such as insulation thickness, spacing, material types, geometry of winding and slot are major design consideration. A very powerful method available to analyze electro thermal performance is Finite Element Method (FEM) which is used in this paper. The analysis of various stator coil and slot configurations are used to design the better dielectric system to reduce electrical and thermal stresses in order to increase the power of generator in the same volume of core. This paper describes the process used to perform classical design and improvement analysis of stator slot-s insulation.

Properties of the Research Teaching Organization of Military Masters

In the article there have been revealed the properties of designing the research teaching the military masters and in the context it has been offered the program of mastering by the masters military men the methodology of research work, in the course of practical teaching activity there has been considered the developed and approbated model of organization of the process of mastering by the masters the methodology of research work. As a whole, the research direction of master preparation leaves its sign to the content of education, forms of organization of educational process, scientific work of masters. In this connection the offered in the article properties of organization of research teaching and a model of organization of mastering by the masters military men the methodology of research work can be taken into account when designing the content of master preparation.

Roll of Membership functions in Fuzzy Logic for Prediction of Shoot Length of Mustard Plant Based on Residual Analysis

The selection for plantation of a particular type of mustard plant depending on its productivity (pod yield) at the stage of maturity. The growth of mustard plant dependent on some parameters of that plant, these are shoot length, number of leaves, number of roots and roots length etc. As the plant is growing, some leaves may be fall down and some new leaves may come, so it can not gives the idea to develop the relationship with the seeds weight at mature stage of that plant. It is not possible to find the number of roots and root length of mustard plant at growing stage that will be harmful of this plant as roots goes deeper to deeper inside the land. Only the value of shoot length which increases in course of time can be measured at different time instances. Weather parameters are maximum and minimum humidity, rain fall, maximum and minimum temperature may effect the growth of the plant. The parameters of pollution, water, soil, distance and crop management may be dominant factors of growth of plant and its productivity. Considering all parameters, the growth of the plant is very uncertain, fuzzy environment can be considered for the prediction of shoot length at maturity of the plant. Fuzzification plays a greater role for fuzzification of data, which is based on certain membership functions. Here an effort has been made to fuzzify the original data based on gaussian function, triangular function, s-function, Trapezoidal and L –function. After that all fuzzified data are defuzzified to get normal form. Finally the error analysis (calculation of forecasting error and average error) indicates the membership function appropriate for fuzzification of data and use to predict the shoot length at maturity. The result is also verified using residual (Absolute Residual, Maximum of Absolute Residual, Mean Absolute Residual, Mean of Mean Absolute Residual, Median of Absolute Residual and Standard Deviation) analysis.

Bangla Vowel Characterization Based on Analysis by Synthesis

Bangla Vowel characterization determines the spectral properties of Bangla vowels for efficient synthesis as well as recognition of Bangla vowels. In this paper, Bangla vowels in isolated word have been analyzed based on speech production model within the framework of Analysis-by-Synthesis. This has led to the extraction of spectral parameters for the production model in order to produce different Bangla vowel sounds. The real and synthetic spectra are compared and a weighted square error has been computed along with the error in the formant bandwidths for efficient representation of Bangla vowels. The extracted features produced good representation of targeted Bangla vowel. Such a representation also plays essential role in low bit rate speech coding and vocoders.

Structural Basis of Resistance of Helicobacterpylori DnaK to Antimicrobial Peptide Pyrrhocoricin

Bacterial molecular chaperone DnaK plays an essential role in protein folding, stress response and transmembrane targeting of proteins. DnaKs from many bacterial species, including Escherichia coli, Salmonella typhimurium and Haemophilus infleunzae are the molecular targets for the insect-derived antimicrobial peptide pyrrhocoricin. Pyrrhocoricin-like peptides bind in the substrate recognition tunnel. Despite the high degree of crossspecies sequence conservation in the substrate-binding tunnel, some bacteria are not sensitive to pyrrhocoricin. This work addresses the molecular mechanism of resistance of Helicobacter pylori DnaK to pyrrhocoricin. Homology modelling, structural and sequence analysis identify a single aminoacid substitution at the interface between the lid and the β-sandwich subdomains of the DnaK substrate-binding domain as the major determinant for its resistance.

Finite Volume Model to Study the Effect of Buffer on Cytosolic Ca2+ Advection Diffusion

Calcium [Ca2+] is an important second messenger which plays an important role in signal transduction. There are several parameters that affect its concentration profile like buffer source etc. The effect of stationary immobile buffer on Ca2+ concentration has been incorporated which is a very important parameter needed to be taken into account in order to make the model more realistic. Interdependence of all the important parameters like diffusion coefficient and influx over [Ca2+] profile has been studied. Model is developed in the form of advection diffusion equation together with buffer concentration. A program has been developed using finite volume method for the entire problem and simulated on an AMD-Turion 32-bit machine to compute the numerical results.

Design and Manufacturing of a Propeller for Axial-Flow Fan

This work presents a methodology for the design and manufacture of propellers oriented to the experimental verification of theoretical results based on the combined model. The design process begins by using algorithms in Matlab which output data contain the coordinates of the points that define the blade airfoils, in this case the NACA 6512 airfoil was used. The modeling for the propeller blade was made in NX7, through the imported files in Matlab and with the help of surfaces. Later, the hub and the clamps were also modeled. Finally, NX 7 also made possible to create post-processed files to the required machine. It is possible to find the block of numbers with G & M codes about the type of driver on the machine. The file extension is .ptp. These files made possible to manufacture the blade, and the hub of the propeller.

Genetic-based Anomaly Detection in Logs of Process Aware Systems

Nowaday-s, many organizations use systems that support business process as a whole or partially. However, in some application domains, like software development and health care processes, a normative Process Aware System (PAS) is not suitable, because a flexible support is needed to respond rapidly to new process models. On the other hand, a flexible Process Aware System may be vulnerable to undesirable and fraudulent executions, which imposes a tradeoff between flexibility and security. In order to make this tradeoff available, a genetic-based anomaly detection model for logs of Process Aware Systems is presented in this paper. The detection of an anomalous trace is based on discovering an appropriate process model by using genetic process mining and detecting traces that do not fit the appropriate model as anomalous trace; therefore, when used in PAS, this model is an automated solution that can support coexistence of flexibility and security.

Study The Effects of Conventional and Low Input Production System on Energy Efficiency of Silybum marianum L.

Medicinal plants are most suitable crops for ecological production systems because of their role in human health and the aim of sustainable agriculture to improve ecosystem efficiency and its products quality. Calculations include energy output (contents of energy in seed) and energy inputs (consumption of fertilizers, pesticides, labor, machines, fuel and electricity). The ratio of output of the production to inputs is called the energy outputs / inputs ratio or energy efficiency. One way to quantify essential parts of agricultural development is the energy flow method. The output / input energy ratio is proposed as the most comprehensive single factor in pursuing the objective of sustainability. Sylibum marianum L. is one of the most important medicinal plants in Iran and has effective role on health of growing population in Iran. The objective of this investigation was to find out energy efficiency in conventional and low input production system of Milk thistle. This investigation was carried out in the spring of 2005 – 2007 in the Research Station of Rangelands in Hamand - Damavand region of IRAN. This experiment was done in split-split plot based on randomized complete block design with 3 replications. Treatments were 2 production systems (Conventional and Low input system) in the main plots, 3 planting time (25 of March, 4 and 14 of April) in the sub plots and 2 seed types (Improved and Native of Khoozestan) in the sub-sub plots. Results showed that in conventional production system energy efficiency, because of higher inputs and less seed yield, was less than low input production system. Seed yield was 1199.5 and 1888 kg/ha in conventional and low input systems, respectively. Total energy inputs and out puts for conventional system was 10068544.5 and 7060515.9 kcal. These amounts for low input system were 9533885.6 and 11113191.8 kcal. Results showed that energy efficiency for seed production in conventional and low input system was 0.7 and 1.16, respectively. So, milk thistle seed production in low input system has 39.6 percent higher energy efficiency than conventional production system. Also, higher energy efficiency were found in sooner planting time (25 of March) and native seed of Khoozestan.

UDCA: An Energy Efficient Clustering Algorithm for Wireless Sensor Network

In the past few years, the use of wireless sensor networks (WSNs) potentially increased in applications such as intrusion detection, forest fire detection, disaster management and battle field. Sensor nodes are generally battery operated low cost devices. The key challenge in the design and operation of WSNs is to prolong the network life time by reducing the energy consumption among sensor nodes. Node clustering is one of the most promising techniques for energy conservation. This paper presents a novel clustering algorithm which maximizes the network lifetime by reducing the number of communication among sensor nodes. This approach also includes new distributed cluster formation technique that enables self-organization of large number of nodes, algorithm for maintaining constant number of clusters by prior selection of cluster head and rotating the role of cluster head to evenly distribute the energy load among all sensor nodes.

Novel D- glucose Based Glycomonomers Synthesis and Characterization

In the last decade, carbohydrates have attracted great attention as renewable resources for the chemical industry. Carbohydrates are abundantly found in nature in the form of monomers, oligomers and polymers, or as components of biopolymers and other naturally occurring substances. As natural products, they play important roles in conferring certain physical, chemical, and biological properties to their carrier molecules.The synthesis of this particular carbohydrate glycomonomer is part of our work to obtain biodegradable polymers. Our current paper describes the synthesis and characterization of a novel carbohydrate glycomonomer starting from D-glucose, in several synthesis steps, that involve the protection/deprotection of the D-glucose ring via acetylation, tritylation, then selective deprotection of the aromaticaliphatic protective group, in order to obtain 1,2,3,4-tetra-O-acetyl- 6-O-allyl-β-D-glucopyranose. The glycomonomer was then obtained by the allylation in drastic conditions of 1,2,3,4-tetra-O-acetyl-6-Oallyl- β-D-glucopyranose with allylic alcohol in the presence of stannic chloride, in methylene chloride, at room temperature. The proposed structure of the glycomonomer, 2,3,4-tri-O-acetyl-1,6-di- O-allyl-β-D-glucopyranose, was confirmed by FTIR, NMR and HPLC-MS spectrometry. This glycomonomer will be further submitted to copolymerization with certain acrylic or methacrylic monomers in order to obtain competitive plastic materials for applications in the biomedical field.

A Novel Plausible Deniability Scheme in Secure Steganography

The goal of steganography is to avoid drawing suspicion to the transmission of a hidden message. If suspicion is raised, steganography may fail. The success of steganography depends on the secrecy of the action. If steganography is detected, the system will fail but data security depends on the robustness of the applied algorithm. In this paper, we propose a novel plausible deniability scheme in steganography by using a diversionary message and encrypt it with a DES-based algorithm. Then, we compress the secret message and encrypt it by the receiver-s public key along with the stego key and embed both messages in a carrier using an embedding algorithm. It will be demonstrated how this method can support plausible deniability and is robust against steganalysis.

Knowledge Flows and Innovative Performances of NTBFs in Gauteng, South Africa: An Attempt to Explain Mixed Findings in Science Park Research

Science parks are often established to drive regional economic growth, especially in countries with emerging economies. However, mixed findings regarding the performances of science park firms are found in the literature. This study tries to explain these mixed findings by taking a relational approach and exploring (un)intended knowledge transfers between new technology-based firms (NTBFs) in the emerging South African economy. Moreover, the innovation outcomes of these NTBFs are examined by using a multi-dimensional construct. Results show that science park location plays a significant role in explaining innovative sales, but is insignificant when a different indicator of innovation outcomes is used. Furthermore, only for innovations that are new to the firms, both science park location and intended knowledge transfer via informal business relationships have a positive impact; whereas social relationships have a negative impact.

Emotion Dampening Strategy and Internalizing Problem Behavior: Affect Intensity as Control Variables

Contrary to negative emotion regulation, coping with positive moods have received less attention in adolescent adjustment. However, some research has found that everyone is different on dealing with their positive emotions, which affects their adaptation and well-being. The purpose of the present study was to investigate the relationship between positive emotions dampening and internalizing behavior problems of adolescent in Taiwan. A survey was conducted and 208 students (12 to14 years old) completed the strengths and difficulties questionnaire (SDQ), the Affect Intensity Measure, and the positive emotions dampening scale. Analysis methods such as descriptive statistics, t-test, Pearson correlations and multiple regression were adapted. The results were as follows: Emotionality and internalizing problem behavior have significant gender differences. Compared to boys, girls have a higher score on negative emotionality and are at a higher risk for internalizing symptoms. However, there are no gender differences on positive emotion dampening. Additionally, in the circumstance that negative emotionality acted as the control variable, positive emotion dampening strategy was (positive) related to internalizing behavior problems. Given the results of this study, it is suggested that coaching deconstructive positive emotion strategies is to assist adolescents with internalizing behavior problems is encouraged.

Measuring Pressure Wave Velocity in a Hydraulic System

Pressure wave velocity in a hydraulic system was determined using piezo pressure sensors without removing fluid from the system. The measurements were carried out in a low pressure range (0.2 – 6 bar) and the results were compared with the results of other studies. This method is not as accurate as measurement with separate measurement equipment, but the fluid is in the actual machine the whole time and the effect of air is taken into consideration if air is present in the system. The amount of air is estimated by calculations and comparisons between other studies. This measurement equipment can also be installed in an existing machine and it can be programmed so that it measures in real time. Thus, it could be used e.g. to control dampers.

Comparative Analysis of Vibration between Laminated Composite Plates with and without Holes under Compressive Loads

In this study, a vibration analysis was carried out of symmetric angle-ply laminated composite plates with and without square hole when subjected to compressive loads, numerically. A buckling analysis is also performed to determine the buckling load of laminated plates. For each fibre orientation, the compression load is taken equal to 50% of the corresponding buckling load. In the analysis, finite element method (FEM) was applied to perform parametric studies, the effects of degree of orthotropy and stacking sequence upon the fundamental frequencies and buckling loads are discussed. The results show that the presence of a constant compressive load tends to reduce uniformly the natural frequencies for materials which have a low degree of orthotropy. However, this reduction becomes non-uniform for materials with a higher degree of orthotropy.

How to Integrate Sustainability in Technological Degrees: Robotics at UPC

Embedding Sustainability in technological curricula has become a crucial factor for educating engineers with competences in sustainability. The Technical University of Catalonia UPC, in 2008, designed the Sustainable Technology Excellence Program STEP 2015 in order to assure a successful Sustainability Embedding. This Program takes advantage of the opportunity that the redesign of all Bachelor and Master Degrees in Spain by 2010 under the European Higher Education Area framework offered. The STEP program goals are: to design compulsory courses in each degree; to develop the conceptual base and identify reference models in sustainability for all specialties at UPC; to create an internal interdisciplinary network of faculty from all the schools; to initiate new transdisciplinary research activities in technology-sustainability-education; to spread the know/how attained; to achieve international scientific excellence in technology-sustainability-education and to graduate the first engineers/architects of the new EHEA bachelors with sustainability as a generic competence. Specifically, in this paper authors explain their experience in leading the STEP program, and two examples are presented: Industrial Robotics subject and the curriculum for the School of Architecture.

Identification of PIP Aquaporin Genes from Wheat

There is strong evidence that water channel proteins 'aquaporins (AQPs)' are central components in plant-water relations as well as a number of other physiological parameters. We had previously reported the isolation of 24 plasma membrane intrinsic protein (PIP) type AQPs. However, the gene numbers in rice and the polyploid nature of bread wheat indicated a high probability of further genes in the latter. The present work focused on identification of further AQP isoforms in bread wheat. With the use of altered primer design, we identified five genes homologous, designated PIP1;5b, PIP2;9b, TaPIP2;2, TaPIP2;2a, TaPIP2;2b. Sequence alignments indicate PIP1;5b, PIP2;9b are likely to be homeologues of two previously reported genes while the other three are new genes and could be homeologs of each other. The results indicate further AQP diversity in wheat and the sequence data will enable physical mapping of these genes to identify their genomes as well as genetic to determine their association with any quantitative trait loci (QTLs) associated with plant-water relation such as salinity or drought tolerance.