Investigation on Metalosalen Complexes Binding to DNA using Ab Initio Calculations

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.

CFD Simulation of Dense Gas Extraction through Polymeric Membranes

In this study is presented a general methodology to predict the performance of a continuous near-critical fluid extraction process to remove compounds from aqueous solutions using hollow fiber membrane contactors. A comprehensive 2D mathematical model was developed to study Porocritical extraction process. The system studied in this work is a membrane based extractor of ethanol and acetone from aqueous solutions using near-critical CO2. Predictions of extraction percentages obtained by simulations have been compared to the experimental values reported by Bothun et al. [5]. Simulations of extraction percentage of ethanol and acetone show an average difference of 9.3% and 6.5% with the experimental data, respectively. More accurate predictions of the extraction of acetone could be explained by a better estimation of the transport properties in the aqueous phase that controls the extraction of this solute.

Grid Computing for the Bi-CGSTAB Applied to the Solution of the Modified Helmholtz Equation

The problem addressed herein is the efficient management of the Grid/Cluster intense computation involved, when the preconditioned Bi-CGSTAB Krylov method is employed for the iterative solution of the large and sparse linear system arising from the discretization of the Modified Helmholtz-Dirichlet problem by the Hermite Collocation method. Taking advantage of the Collocation ma-trix's red-black ordered structure we organize efficiently the whole computation and map it on a pipeline architecture with master-slave communication. Implementation, through MPI programming tools, is realized on a SUN V240 cluster, inter-connected through a 100Mbps and 1Gbps ethernet network,and its performance is presented by speedup measurements included.

Performance Comparison of Particle Swarm Optimization with Traditional Clustering Algorithms used in Self-Organizing Map

Self-organizing map (SOM) is a well known data reduction technique used in data mining. It can reveal structure in data sets through data visualization that is otherwise hard to detect from raw data alone. However, interpretation through visual inspection is prone to errors and can be very tedious. There are several techniques for the automatic detection of clusters of code vectors found by SOM, but they generally do not take into account the distribution of code vectors; this may lead to unsatisfactory clustering and poor definition of cluster boundaries, particularly where the density of data points is low. In this paper, we propose the use of an adaptive heuristic particle swarm optimization (PSO) algorithm for finding cluster boundaries directly from the code vectors obtained from SOM. The application of our method to several standard data sets demonstrates its feasibility. PSO algorithm utilizes a so-called U-matrix of SOM to determine cluster boundaries; the results of this novel automatic method compare very favorably to boundary detection through traditional algorithms namely k-means and hierarchical based approach which are normally used to interpret the output of SOM.

A New Composition Method of Admissible Support Vector Kernel Based on Reproducing Kernel

Kernel function, which allows the formulation of nonlinear variants of any algorithm that can be cast in terms of dot products, makes the Support Vector Machines (SVM) have been successfully applied in many fields, e.g. classification and regression. The importance of kernel has motivated many studies on its composition. It-s well-known that reproducing kernel (R.K) is a useful kernel function which possesses many properties, e.g. positive definiteness, reproducing property and composing complex R.K by simple operation. There are two popular ways to compute the R.K with explicit form. One is to construct and solve a specific differential equation with boundary value whose handicap is incapable of obtaining a unified form of R.K. The other is using a piecewise integral of the Green function associated with a differential operator L. The latter benefits the computation of a R.K with a unified explicit form and theoretical analysis, whereas there are relatively later studies and fewer practical computations. In this paper, a new algorithm for computing a R.K is presented. It can obtain the unified explicit form of R.K in general reproducing kernel Hilbert space. It avoids constructing and solving the complex differential equations manually and benefits an automatic, flexible and rigorous computation for more general RKHS. In order to validate that the R.K computed by the algorithm can be used in SVM well, some illustrative examples and a comparison between R.K and Gaussian kernel (RBF) in support vector regression are presented. The result shows that the performance of R.K is close or slightly superior to that of RBF.

Effect of Laser Power and Powder Flow Rate on Properties of Laser Metal Deposited Ti6Al4V

Laser Metal Deposition (LMD) is an additive manufacturing process with capabilities that include: producing new part directly from 3 Dimensional Computer Aided Design (3D CAD) model, building new part on the existing old component and repairing an existing high valued component parts that would have been discarded in the past. With all these capabilities and its advantages over other additive manufacturing techniques, the underlying physics of the LMD process is yet to be fully understood probably because of high interaction between the processing parameters and studying many parameters at the same time makes it further complex to understand. In this study, the effect of laser power and powder flow rate on physical properties (deposition height and deposition width), metallurgical property (microstructure) and mechanical (microhardness) properties on laser deposited most widely used aerospace alloy are studied. Also, because the Ti6Al4V is very expensive, and LMD is capable of reducing buy-to-fly ratio of aerospace parts, the material utilization efficiency is also studied. Four sets of experiments were performed and repeated to establish repeatability using laser power of 1.8 kW and 3.0 kW, powder flow rate of 2.88 g/min and 5.67 g/min, and keeping the gas flow rate and scanning speed constant at 2 l/min and 0.005 m/s respectively. The deposition height / width are found to increase with increase in laser power and increase in powder flow rate. The material utilization is favoured by higher power while higher powder flow rate reduces material utilization. The results are presented and fully discussed.

A Fuzzy Logic Based Model to Predict Surface Roughness of A Machined Surface in Glass Milling Operation Using CBN Grinding Tool

Nowadays, the demand for high product quality focuses extensive attention to the quality of machined surface. The (CNC) milling machine facilities provides a wide variety of parameters set-up, making the machining process on the glass excellent in manufacturing complicated special products compared to other machining processes. However, the application of grinding process on the CNC milling machine could be an ideal solution to improve the product quality, but adopting the right machining parameters is required. In glass milling operation, several machining parameters are considered to be significant in affecting surface roughness. These parameters include the lubrication pressure, spindle speed, feed rate and depth of cut. In this research work, a fuzzy logic model is offered to predict the surface roughness of a machined surface in glass milling operation using CBN grinding tool. Four membership functions are allocated to be connected with each input of the model. The predicted results achieved via fuzzy logic model are compared to the experimental result. The result demonstrated settlement between the fuzzy model and experimental results with the 93.103% accuracy.

Public R and D Risk and Risk Management Policy

R&D risk management has been suggested as one of the management approaches for accomplishing the goals of public R&D investment. The investment in basic science and core technology development is the essential roles of government for securing the social base needed for continuous economic growth. And, it is also an important role of the science and technology policy sectors to generate a positive environment in which the outcomes of public R&D can be diffused in a stable fashion by controlling the uncertainties and risk factors in advance that may arise during the application of such achievements to society and industry. Various policies have already been implemented to manage uncertainties and variables that may have negative impact on accomplishing public R& investment goals. But we may derive new policy measures for complementing the existing policies and for exploring progress direction by analyzing them in a policy package from the viewpoint of R&D risk management.

Classifier Based Text Mining for Neural Network

Text Mining is around applying knowledge discovery techniques to unstructured text is termed knowledge discovery in text (KDT), or Text data mining or Text Mining. In Neural Network that address classification problems, training set, testing set, learning rate are considered as key tasks. That is collection of input/output patterns that are used to train the network and used to assess the network performance, set the rate of adjustments. This paper describes a proposed back propagation neural net classifier that performs cross validation for original Neural Network. In order to reduce the optimization of classification accuracy, training time. The feasibility the benefits of the proposed approach are demonstrated by means of five data sets like contact-lenses, cpu, weather symbolic, Weather, labor-nega-data. It is shown that , compared to exiting neural network, the training time is reduced by more than 10 times faster when the dataset is larger than CPU or the network has many hidden units while accuracy ('percent correct') was the same for all datasets but contact-lences, which is the only one with missing attributes. For contact-lences the accuracy with Proposed Neural Network was in average around 0.3 % less than with the original Neural Network. This algorithm is independent of specify data sets so that many ideas and solutions can be transferred to other classifier paradigms.

Energy Efficient Resource Allocation in Distributed Computing Systems

The problem of mapping tasks onto a computational grid with the aim to minimize the power consumption and the makespan subject to the constraints of deadlines and architectural requirements is considered in this paper. To solve this problem, we propose a solution from cooperative game theory based on the concept of Nash Bargaining Solution. The proposed game theoretical technique is compared against several traditional techniques. The experimental results show that when the deadline constraints are tight, the proposed technique achieves superior performance and reports competitive performance relative to the optimal solution.

Analyzing the Effects of Resource Relatedness on Strategic Alliances Performance

Very few studies have examined performance implications of strategic alliance announcements in the information technologies industry from a resource-based view. Furthermore, none of these studies have investigated resource congruence and alliance motive as potential sources of abnormal firm performance. This paper extends upon current resource-based literature to discover and explore linkages between these concepts and the practical performance of strategic alliances. This study finds that strategic alliance announcements have provided overall abnormal positive returns, and that marketing alliances with marketing resource incongruence have also contributed to significant firm performance.

A Supervised Text-Independent Speaker Recognition Approach

We provide a supervised speech-independent voice recognition technique in this paper. In the feature extraction stage we propose a mel-cepstral based approach. Our feature vector classification method uses a special nonlinear metric, derived from the Hausdorff distance for sets, and a minimum mean distance classifier.

Matrix Based Synthesis of EXOR dominated Combinational Logic for Low Power

This paper discusses a new, systematic approach to the synthesis of a NP-hard class of non-regenerative Boolean networks, described by FON[FOFF]={mi}[{Mi}], where for every mj[Mj]∈{mi}[{Mi}], there exists another mk[Mk]∈{mi}[{Mi}], such that their Hamming distance HD(mj, mk)=HD(Mj, Mk)=O(n), (where 'n' represents the number of distinct primary inputs). The method automatically ensures exact minimization for certain important selfdual functions with 2n-1 points in its one-set. The elements meant for grouping are determined from a newly proposed weighted incidence matrix. Then the binary value corresponding to the candidate pair is correlated with the proposed binary value matrix to enable direct synthesis. We recommend algebraic factorization operations as a post processing step to enable reduction in literal count. The algorithm can be implemented in any high level language and achieves best cost optimization for the problem dealt with, irrespective of the number of inputs. For other cases, the method is iterated to subsequently reduce it to a problem of O(n-1), O(n-2),.... and then solved. In addition, it leads to optimal results for problems exhibiting higher degree of adjacency, with a different interpretation of the heuristic, and the results are comparable with other methods. In terms of literal cost, at the technology independent stage, the circuits synthesized using our algorithm enabled net savings over AOI (AND-OR-Invert) logic, AND-EXOR logic (EXOR Sum-of- Products or ESOP forms) and AND-OR-EXOR logic by 45.57%, 41.78% and 41.78% respectively for the various problems. Circuit level simulations were performed for a wide variety of case studies at 3.3V and 2.5V supply to validate the performance of the proposed method and the quality of the resulting synthesized circuits at two different voltage corners. Power estimation was carried out for a 0.35micron TSMC CMOS process technology. In comparison with AOI logic, the proposed method enabled mean savings in power by 42.46%. With respect to AND-EXOR logic, the proposed method yielded power savings to the tune of 31.88%, while in comparison with AND-OR-EXOR level networks; average power savings of 33.23% was obtained.

Geometric and Material Nonlinear Analysis of Reinforced Concrete Structure Considering Soil-Structure Interaction

In the present research, a finite element model is presented to study the geometrical and material nonlinear behavior of reinforced concrete plane frames considering soil-structure interaction. The nonlinear behaviors of concrete and reinforcing steel are considered both in compression and tension up to failure. The model takes account also for the number, diameter, and distribution of rebar along every cross section. Soil behavior is taken into consideration using four different models; namely: linear-, nonlinear Winkler's model, and linear-, nonlinear continuum model. A computer program (NARC) is specially developed in order to perform the analysis. The results achieved by the present model show good agreement with both theoretical and experimental published literature. The nonlinear behavior of a rectangular frame resting on soft soil up to failure using the proposed model is introduced for demonstration.

A Technique for Improving the Performance of Median Smoothers at the Corners Characterized by Low Order Polynomials

Median filters with larger windows offer greater smoothing and are more robust than the median filters of smaller windows. However, the larger median smoothers (the median filters with the larger windows) fail to track low order polynomial trends in the signals. Due to this, constant regions are produced at the signal corners, leading to the loss of fine details. In this paper, an algorithm, which combines the ability of the 3-point median smoother in preserving the low order polynomial trends and the superior noise filtering characteristics of the larger median smoother, is introduced. The proposed algorithm (called the combiner algorithm in this paper) is evaluated for its performance on a test image corrupted with different types of noise and the results obtained are included.

Automatic Vehicle Identification by Plate Recognition

Automatic Vehicle Identification (AVI) has many applications in traffic systems (highway electronic toll collection, red light violation enforcement, border and customs checkpoints, etc.). License Plate Recognition is an effective form of AVI systems. In this study, a smart and simple algorithm is presented for vehicle-s license plate recognition system. The proposed algorithm consists of three major parts: Extraction of plate region, segmentation of characters and recognition of plate characters. For extracting the plate region, edge detection algorithms and smearing algorithms are used. In segmentation part, smearing algorithms, filtering and some morphological algorithms are used. And finally statistical based template matching is used for recognition of plate characters. The performance of the proposed algorithm has been tested on real images. Based on the experimental results, we noted that our algorithm shows superior performance in car license plate recognition.

A Nonlinear ODE System for the Unsteady Hydrodynamic Force – A New Approach

We propose a reduced-ordermodel for the instantaneous hydrodynamic force on a cylinder. The model consists of a system of two ordinary differential equations (ODEs), which can be integrated in time to yield very accurate histories of the resultant force and its direction. In contrast to several existing models, the proposed model considers the actual (total) hydrodynamic force rather than its perpendicular or parallel projection (the lift and drag), and captures the complete force rather than the oscillatory part only. We study and provide descriptions of the relationship between the model parameters, evaluated utilizing results from numerical simulations, and the Reynolds number so that the model can be used at any arbitrary value within the considered range of 100 to 500 to provide accurate representation of the force without the need to perform timeconsuming simulations and solving the partial differential equations (PDEs) governing the flow field.

Modified Fuzzy PID Control for Networked Control Systems with Random Delays

To deal with random delays in Networked Control System (NCS), Modified Fuzzy PID Controller is introduced in this paper to implement real-time control adaptively. Via adjusting the control signal dynamically, the system performance is improved. In this paper, the design process and the ultimate simulation results are represented. Finally, examples and corresponding comparisons prove the significance of this method.

Computer-Based Assessment of Pre-assigned Individual Education Plans in Special Education

Assessment of IEP (Individual Education Plan) is an important stage in the area of special education. This paper deals with this problem by introducing computer software which process the data gathered from application of IEP. The software is intended to be used by special education institution in Turkey and allows assessment of school and family trainings. The software has a user friendly interface and its design includes graphical developer tools.

Analysis of Thermal Deformation of a Rough Slider and Its Asperities and Its Impact on Load Generation in Parallel Sliders

Heating is inevitable in any bearing operation. This leads to not only the thinning of the lubricant but also could lead to a thermal deformation of the bearing. The present work is an attempt to analyze the influence of thermal deformation on the thermohydrodynamic lubrication of infinitely long tilted pad slider rough bearings. As a consequence of heating the slider is deformed and is assumed to take a parabolic shape. Also the asperities expand leading to smaller effective film thickness. Two different types of surface roughness are considered: longitudinal roughness and transverse roughness. Christensen-s stochastic approach is used to derive the Reynolds-type equations. Density and viscosity are considered to be temperature dependent. The modified Reynolds equation, momentum equation, continuity equation and energy equation are decoupled and solved using finite difference method to yield various bearing characteristics. From the numerical simulations it is observed that the performance of the bearing is significantly affected by the thermal distortion of the slider and asperities and even the parallel sliders seem to carry some load.