Recent Advances on Computational Proteomics

In this work we report the recent progresses that have been achieved by our group in the last half decade on the field of computational proteomics. Specifically, we discuss the application of Molecular Dynamics Simulations and Electronic Structure Calculations in drug design, in the clarification of the structural and dynamic properties of proteins and enzymes and in the understanding of the catalytic and inhibition mechanism of cancer-related enzymes. A set of examples illustrate the concepts and help to introduce the reader into this important and fast moving field.

Estimation of R= P [Y < X] for Two-parameter Burr Type XII Distribution

In this article, we consider the estimation of P[Y < X], when strength, X and stress, Y are two independent variables of Burr Type XII distribution. The MLE of the R based on one simple iterative procedure is obtained. Assuming that the common parameter is known, the maximum likelihood estimator, uniformly minimum variance unbiased estimator and Bayes estimator of P[Y < X] are discussed. The exact confidence interval of the R is also obtained. Monte Carlo simulations are performed to compare the different proposed methods.

Extraction and Analysis of Hypericum perforatum L. from Turkey

Hypericum perforatum L. is a member of the Hypericaceae (Guttiferae) family and commonly known as St. John’s wort. There is a growing interest in this medicinal plant because of the constituents of this genus. A number of species have been shown to possess various biological activities such as antiviral, wound healing, analgesic, hepatoprotective, antimicrobial and antioxidant activities and also have therapeutic effects on burns, bruises, swelling, anxiety and mild to moderate depression. In this study, the aerial parts of Hypericum perforatum L. are extracted and the main and effective constituents are determined. The analysis of the extracts was performed by GC-MS and LC-MS. As a next step, it is aimed to investigate the usage of the main constituents of the medicinal plant.

Mechanism of Damping in Welded Structures using Finite Element Approach

The characterization and modeling of the dynamic behavior of many built-up structures under vibration conditions is still a subject of current research. The present study emphasizes the theoretical investigation of slip damping in layered and jointed welded cantilever structures using finite element approach. Application of finite element method in damping analysis is relatively recent, as such, some problems particularly slip damping analysis has not received enough attention. To validate the finite element model developed, experiments have been conducted on a number of mild steel specimens under different initial conditions of vibration. Finite element model developed affirms that the damping capacity of such structures is influenced by a number of vital parameters such as; pressure distribution, kinematic coefficient of friction and micro-slip at the interfaces, amplitude, frequency of vibration, length and thickness of the specimen. Finite element model developed can be utilized effectively in the design of machine tools, automobiles, aerodynamic and space structures, frames and machine members for enhancing their damping capacity.

The Impact of Self-Phase Modulation on Dispersion Compensated Mapping Multiplexing Technique (MMT)

An exploration in the competency of the optical multilevel Mapping Multiplexing Technique (MMT) system in tolerating to the impact of nonlinearities as Self Phase Modulation (SPM) during the presence of dispersion compensation methods. The existence of high energy pulses stimulates deterioration in the chirp compression process attained by SPM which introduces an upper power boundary limit. An evaluation of the post and asymmetric prepost fiber compensation methods have been deployed on the MMT system compared with others of the same bit rate modulation formats. The MMT 40 Gb/s post compensation system has 1.4 dB enhancements to the 40 Gb/s 4-Arysystem and less than 3.9 dB penalty compared to the 40 Gb/s OOK-RZsystem. However, the optimized Pre-Post asymmetric compensation has an enhancement of 4.6 dB compared to the Post compensation MMT configuration for a 30% pre compensation dispersion.

Global Kinetics of Direct Dimethyl Ether Synthesis Process from Syngas in Slurry Reactor over a Novel Cu-Zn-Al-Zr Slurry Catalyst

The direct synthesis process of dimethyl ether (DME) from syngas in slurry reactors is considered to be promising because of its advantages in caloric transfer. In this paper, the influences of operating conditions (temperature, pressure and weight hourly space velocity) on the conversion of CO, selectivity of DME and methanol were studied in a stirred autoclave over Cu-Zn-Al-Zr slurry catalyst, which is far more suitable to liquid phase dimethyl ether synthesis process than bifunctional catalyst commercially. A Langmuir- Hinshelwood mechanism type global kinetics model for liquid phase DME direct synthesis based on methanol synthesis models and a methanol dehydration model has been investigated by fitting our experimental data. The model parameters were estimated with MATLAB program based on general Genetic Algorithms and Levenberg-Marquardt method, which is suitably fitting experimental data and its reliability was verified by statistical test and residual error analysis.

Analysis and Classification of Hiv-1 Sub- Type Viruses by AR Model through Artificial Neural Networks

HIV-1 genome is highly heterogeneous. Due to this variation, features of HIV-I genome is in a wide range. For this reason, the ability to infection of the virus changes depending on different chemokine receptors. From this point of view, R5 HIV viruses use CCR5 coreceptor while X4 viruses use CXCR5 and R5X4 viruses can utilize both coreceptors. Recently, in Bioinformatics, R5X4 viruses have been studied to classify by using the experiments on HIV-1 genome. In this study, R5X4 type of HIV viruses were classified using Auto Regressive (AR) model through Artificial Neural Networks (ANNs). The statistical data of R5X4, R5 and X4 viruses was analyzed by using signal processing methods and ANNs. Accessible residues of these virus sequences were obtained and modeled by AR model since the dimension of residues is large and different from each other. Finally the pre-processed data was used to evolve various ANN structures for determining R5X4 viruses. Furthermore ROC analysis was applied to ANNs to show their real performances. The results indicate that R5X4 viruses successfully classified with high sensitivity and specificity values training and testing ROC analysis for RBF, which gives the best performance among ANN structures.

New Nonlinear Filtering Strategies for Eliminating Short and Long Tailed Noise in Images with Edge Preservation Properties

Midpoint filter is quite effective in recovering the images confounded by the short-tailed (uniform) noise. It, however, performs poorly in the presence of additive long-tailed (impulse) noise and it does not preserve the edge structures of the image signals. Median smoother discards outliers (impulses) effectively, but it fails to provide adequate smoothing for images corrupted with nonimpulse noise. In this paper, two nonlinear techniques for image filtering, namely, New Filter I and New Filter II are proposed based on a nonlinear high-pass filter algorithm. New Filter I is constructed using a midpoint filter, a highpass filter and a combiner. It suppresses uniform noise quite well. New Filter II is configured using an alpha trimmed midpoint filter, a median smoother of window size 3x3, the high pass filter and the combiner. It is robust against impulse noise and attenuates uniform noise satisfactorily. Both the filters are shown to exhibit good response at the image boundaries (edges). The proposed filters are evaluated for their performance on a test image and the results obtained are included.

Influence of Solution Chemistry on Adsorption of Perfluorooctanesulfonate (PFOS) and Perfluorooctanoate (PFOA) on Boehmite

The persistent nature of perfluorochemicals (PFCs) has attracted global concern in recent years. Perfluorooctanesulfonate (PFOS) and perfluorooctanoate (PFOA) are the most commonly found PFC compounds, and thus their fate and transport play key roles in PFC distribution in the natural environment. The kinetic behavior of PFOS or PFOA on boehmite consists of a fast adsorption process followed by a slow adsorption process which may be attributed to the slow transport of PFOS or PFOA into the boehmite pore surface. The adsorption isotherms estimated the maximum adsorption capacities of PFOS and PFOA on boehmite as 0.877 μg/m2 and 0.633 μg/m2, with the difference primarily due to their different functional groups. The increase of solution pH led to a moderate decrease of PFOS and PFOA adsorption, owing to the increase of ligand exchange reactions and the decrease of electrostatic interactions. The presence of NaCl in solution demonstrated negative effects for PFOS and PFOA adsorption on boehmite surfaces, with potential mechanisms being electrical double layer compression, competitive adsorption of chloride.

The Influence of Biofuels on the Permeability of Sand-Bentonite Liners

Liners are made to protect the groundwater table from the infiltration of leachate which normally carries different kinds of toxic materials from landfills. Although these liners are engineered to last for long period of time; unfortunately these liners fail; therefore, toxic materials pass to groundwater. This paper focuses on the changes of the hydraulic conductivity of a sand-bentonite liner due to the infiltration of biofuel and ethanol fuel. Series of laboratory tests were conducted in 20-cm-high PVC columns. Several compositions of sand-bentonite liners were tested: 95% sand: 5% bentonite; 90% sand: 10% bentonite; and 100% sand (passed mesh #40). The columns were subjected to extreme pressures of 40 kPa, and 100 kPa to evaluate the transport of alternative fuels (biofuel and ethanol fuel). For comparative studies, similar tests were carried out using water. Results showed that hydraulic conductivity increased due to the infiltration of alternative fuels through the liners. Accordingly, the increase in the hydraulic conductivity showed significant dependency on the type of liner mixture and the characteristics of the liquid. The hydraulic conductivity of a liner (subjected to biofuel infiltration) consisting of 5% bentonite: 95% sand under pressure of 40 kPa and 100 kPa had increased by one fold. In addition, the hydraulic conductivity of a liner consisting of 10% bentonite: 90% sand under pressure of 40 kPa and 100 kPa and infiltrated by biofuel had increased by three folds. On the other hand, the results obtained by water infiltration under 40 kPa showed lower hydraulic conductivities of 1.50×10-5 and 1.37×10-9 cm/s for 5% bentonite: 95% sand, and 10% bentonite: 90% sand, respectively. Similarly, under 100 kPa, the hydraulic conductivities were 2.30×10-5 and 1.90×10-9 cm/s for 5% bentonite: 95% sand, and 10% bentonite: 90% sand, respectively.

A Grey-Fuzzy Controller for Optimization Technique in Wireless Networks

In wireless and mobile communications, this progress provides opportunities for introducing new standards and improving existing services. Supporting multimedia traffic with wireless networks quality of service (QoS). In this paper, a grey-fuzzy controller for radio resource management (GF-RRM) is presented to maximize the number of the served calls and QoS provision in wireless networks. In a wireless network, the call arrival rate, the call duration and the communication overhead between the base stations and the control center are vague and uncertain. In this paper, we develop a method to predict the cell load and to solve the RRM problem based on the GF-RRM, and support the present facility has been built on the application-level of the wireless networks. The GF-RRM exhibits the better adaptability, fault-tolerant capability and performance than other algorithms. Through simulations, we evaluate the blocking rate, update overhead, and channel acquisition delay time of the proposed method. The results demonstrate our algorithm has the lower blocking rate, less updated overhead, and shorter channel acquisition delay.

An Edit-Distance Algorithm to Detect Correlated Attacks in Distributed Systems

Intrusion detection systems (IDS)are crucial components of the security mechanisms of today-s computer systems. Existing research on intrusion detection has focused on sequential intrusions. However, intrusions can also be formed by concurrent interactions of multiple processes. Some of the intrusions caused by these interactions cannot be detected using sequential intrusion detection methods. Therefore, there is a need for a mechanism that views the distributed system as a whole. L-BIDS (Lattice-Based Intrusion Detection System) is proposed to address this problem. In the L-BIDS framework, a library of intrusions and distributed traces are represented as lattices. Then these lattices are compared in order to detect intrusions in the distributed traces.

Optimization of Hydraulic Fluid Parameters in Automotive Torque Converters

The fluid flow and the properties of the hydraulic fluid inside a torque converter are the main topics of interest in this research. The primary goal is to investigate the applicability of various viscous fluids inside the torque converter. The Taguchi optimization method is adopted to analyse the fluid flow in a torque converter from a design perspective. Calculations are conducted in maximizing the pressure since greater the pressure, greater the torque developed. Using the values of the S/N ratios obtained, graphs are plotted. Computational Fluid Dynamics (CFD) analysis is also conducted.

Modeling the Human Cardiovascular System with Aspecial Focus on the Heart Using Dymola

Severe heart failure is a common problem that has a significant effect on health expenditures in industrialized countries; moreover it reduces patient-s quality of life. However, current research usually focuses either on detailed modeling of the heart or on detailed modeling of the cardiovascular system. Thus, this paper aims to present a sophisticated model of the heart enhanced with an extensive model of the cardiovascular system. Special interest is on the pressure and flow values close to the heart since these values are critical to accurately diagnose causes of heart failure. The model is implemented in Dymola an object-oriented, physical modeling language. Results achieved with the novel model show overall feasibility of the approach. Moreover, results are illustrated and compared to other models. The novel model shows significant improvements.

Low Power Approach for Decimation Filter Hardware Realization

There are multiple ways to implement a decimator filter. This paper addresses usage of CIC (cascaded-integrator-comb) filter and HB (half band) filter as the decimator filter to reduce the frequency sample rate by factor of 64 and detail of the implementation step to realize this design in hardware. Low power design approach for CIC filter and half band filter will be discussed. The filter design is implemented through MATLAB system modeling, ASIC (application specific integrated circuit) design flow and verified using a FPGA (field programmable gate array) board and MATLAB analysis.

OCIRS: An Ontology-based Chinese Idioms Retrieval System

Chinese Idioms are a type of traditional Chinese idiomatic expressions with specific meanings and stereotypes structure which are widely used in classical Chinese and are still common in vernacular written and spoken Chinese today. Currently, Chinese Idioms are retrieved in glossary with key character or key word in morphology or pronunciation index that can not meet the need of searching semantically. OCIRS is proposed to search the desired idiom in the case of users only knowing its meaning without any key character or key word. The user-s request in a sentence or phrase will be grammatically analyzed in advance by word segmentation, key word extraction and semantic similarity computation, thus can be mapped to the idiom domain ontology which is constructed to provide ample semantic relations and to facilitate description logics-based reasoning for idiom retrieval. The experimental evaluation shows that OCIRS realizes the function of searching idioms via semantics, obtaining preliminary achievement as requested by the users.

Auto-regressive Recurrent Neural Network Approach for Electricity Load Forecasting

this paper presents an auto-regressive network called the Auto-Regressive Multi-Context Recurrent Neural Network (ARMCRN), which forecasts the daily peak load for two large power plant systems. The auto-regressive network is a combination of both recurrent and non-recurrent networks. Weather component variables are the key elements in forecasting because any change in these variables affects the demand of energy load. So the AR-MCRN is used to learn the relationship between past, previous, and future exogenous and endogenous variables. Experimental results show that using the change in weather components and the change that occurred in past load as inputs to the AR-MCRN, rather than the basic weather parameters and past load itself as inputs to the same network, produce higher accuracy of predicted load. Experimental results also show that using exogenous and endogenous variables as inputs is better than using only the exogenous variables as inputs to the network.

Cold Flow Investigation of Primary Zone Characteristics in Combustor Utilizing Axial Air Swirler

This paper presents a cold flow simulation study of a small gas turbine combustor performed using laboratory scale test rig. The main objective of this investigation is to obtain physical insight of the main vortex, responsible for the efficient mixing of fuel and air. Such models are necessary for predictions and optimization of real gas turbine combustors. Air swirler can control the combustor performance by assisting in the fuel-air mixing process and by producing recirculation region which can act as flame holders and influences residence time. Thus, proper selection of a swirler is needed to enhance combustor performance and to reduce NOx emissions. Three different axial air swirlers were used based on their vane angles i.e., 30°, 45°, and 60°. Three-dimensional, viscous, turbulent, isothermal flow characteristics of the combustor model operating at room temperature were simulated via Reynolds- Averaged Navier-Stokes (RANS) code. The model geometry has been created using solid model, and the meshing has been done using GAMBIT preprocessing package. Finally, the solution and analysis were carried out in a FLUENT solver. This serves to demonstrate the capability of the code for design and analysis of real combustor. The effects of swirlers and mass flow rate were examined. Details of the complex flow structure such as vortices and recirculation zones were obtained by the simulation model. The computational model predicts a major recirculation zone in the central region immediately downstream of the fuel nozzle and a second recirculation zone in the upstream corner of the combustion chamber. It is also shown that swirler angles changes have significant effects on the combustor flowfield as well as pressure losses.

Assembly and Alignment of Ship Power Plants in Modern Shipbuilding

Fine alignment of main ship power plants mechanisms and shaft lines provides long-term and failure-free performance of propulsion system while fast and high-quality installation of mechanisms and shaft lines decreases common labor intensity. For checking shaft line allowed stress and setting its alignment it is required to perform calculations considering various stages of life cycle. In 2012 JSC SSTC developed special software complex “Shaftline” for calculation of alignment of having its own I/O interface and display of shaft line 3D model. Alignment of shaft line as per bearing loads is rather labor-intensive procedure. In order to decrease its duration, JSC SSTC developed automated alignment system from ship power plants mechanisms. System operation principle is based on automatic simulation of design load on bearings. Initial data for shaft line alignment can be exported to automated alignment system from PC “Shaft line”.

Facebook Lessons for E-Business Startups

This paper addresses the fundamental requirements for starting an online business. It covers the process of ideation, conceptualization, formulation, and implementation of new venture ideas on the Web. Using Facebook as an illustrative example, we learn how to turn an idea into a successful electronic business and to execute a business plan with IT skills, management expertise, a good entrepreneurial attitude, and an understanding of Internet culture. The personality traits and characteristics of a successful e-commerce entrepreneur are discussed with reference to Facebook-s founder, Mark Zuckerberg. Facebook is a social and e-commerce success. It provides a trusted environment of which participants can conduct business with social experience. People are able to discuss products before, during the after the sale within the Facebook environment. The paper also highlights the challenges and opportunities for e-commerce entrepreneurial startups to go public and of entering the China market.