Data Mining Classification Methods Applied in Drug Design

Data mining incorporates a group of statistical methods used to analyze a set of information, or a data set. It operates with models and algorithms, which are powerful tools with the great potential. They can help people to understand the patterns in certain chunk of information so it is obvious that the data mining tools have a wide area of applications. For example in the theoretical chemistry data mining tools can be used to predict moleculeproperties or improve computer-assisted drug design. Classification analysis is one of the major data mining methodologies. The aim of thecontribution is to create a classification model, which would be able to deal with a huge data set with high accuracy. For this purpose logistic regression, Bayesian logistic regression and random forest models were built using R software. TheBayesian logistic regression in Latent GOLD software was created as well. These classification methods belong to supervised learning methods. It was necessary to reduce data matrix dimension before construct models and thus the factor analysis (FA) was used. Those models were applied to predict the biological activity of molecules, potential new drug candidates.

Removal of Arsenic (III) from Contaminated Waterby Synthetic Nano Size Zerovalent Iron

The present work was conducted for Arsenic (III) removal, which one of the most poisonous groundwater pollutants, by synthetic nano size zerovalent iron (nZVI). Batch experiments were performed to investigate the influence of As (III), nZVI concentration, pH of solution and contact time on the efficiency of As (III) removal. nZVI was synthesized by reduction of ferric chloride by sodium borohydrid. SEM and XRD were used to determine particle size and characterization of produced nanoparticles. Up to 99.9% removal efficiency for arsenic (III) was obtained by nZVI dosage of 1 g/L at time equal to 10 min. and pH=7. It could be concluded that the removal efficiency were enhanced with increasing of ZVI dosage and reaction time, but decreased with increasing of arsenic concentration and pH for nano sized ZVI. nZVI presented an outstanding ability to remove As (III) due to not only a high surface area and low particle size but also to high inherent activity.

High Quality Speech Coding using Combined Parametric and Perceptual Modules

A novel approach to speech coding using the hybrid architecture is presented. Advantages of parametric and perceptual coding methods are utilized together in order to create a speech coding algorithm assuring better signal quality than in traditional CELP parametric codec. Two approaches are discussed. One is based on selection of voiced signal components that are encoded using parametric algorithm, unvoiced components that are encoded perceptually and transients that remain unencoded. The second approach uses perceptual encoding of the residual signal in CELP codec. The algorithm applied for precise transient selection is described. Signal quality achieved using the proposed hybrid codec is compared to quality of some standard speech codecs.

Modeling and Control of Two Manipulators Handling a Flexible Beam

This paper seeks to develop simple yet practical and efficient control scheme that enables cooperating arms to handle a flexible beam. Specifically the problem studied herein is that of two arms rigidly grasping a flexible beam and such capable of generating forces/moments in such away as to move a flexible beam along a predefined trajectory. The paper develops a sliding mode control law that provides robustness against model imperfection and uncertainty. It also provides an implicit stability proof. Simulation results for two three joint arms moving a flexible beam, are presented to validate the theoretical results.

Detecting Subsurface Circular Objects from Low Contrast Noisy Images: Applications in Microscope Image Enhancement

Particle detection in very noisy and low contrast images is an active field of research in image processing. In this article, a method is proposed for the efficient detection and sizing of subsurface spherical particles, which is used for the processing of softly fused Au nanoparticles. Transmission Electron Microscopy is used for imaging the nanoparticles, and the proposed algorithm has been tested with the two-dimensional projected TEM images obtained. Results are compared with the data obtained by transmission optical spectroscopy, as well as with conventional circular object detection algorithms.

Potential of Exopolysaccharides in Yoghurt Production

Consumer demand for products with low fat or sugar content and low levels of food additives, as well as cost factors, make exopolysaccharides (EPS) a viable alternative. EPS remain an interesting tool to modulate the sensory properties of yoghurt. This study was designed to evaluate EPS production potential of commercial yoghurt starter cultures (Yo-Flex starters: Harmony 1.0, TWIST 1.0 and YF-L902, Chr.Hansen, Denmark) and their influence on an apparent viscosity of yoghurt samples. The production of intracellularly synthesized EPS by different commercial yoghurt starters varies roughly from 144,08 to 440,81 mg/l. Analysing starters’ producing EPS, they showed large variations in concentration and supposedly composition. TWIST 1.0 had produced greater amounts of EPS in MRS medium and in yoghurt samples but there wasn’t determined significant contribution to development of texture as well as an apparent viscosity of the final product. YF-L902 and Harmony 1.0 starters differed considerably in EPS yields, but not in apparent viscosities (p>0.05) of the final yoghurts. Correlation between EPS concentration and viscosity of yoghurt samples was not established in the study.

Orchestra/Percussion Classification Algorithm for United Speech Audio Coding System

Unified Speech Audio Coding (USAC), the latest MPEG standardization for unified speech and audio coding, uses a speech/audio classification algorithm to distinguish speech and audio segments of the input signal. The quality of the recovered audio can be increased by well-designed orchestra/percussion classification and subsequent processing. However, owing to the shortcoming of the system, introducing an orchestra/percussion classification and modifying subsequent processing can enormously increase the quality of the recovered audio. This paper proposes an orchestra/percussion classification algorithm for the USAC system which only extracts 3 scales of Mel-Frequency Cepstral Coefficients (MFCCs) rather than traditional 13 scales of MFCCs and use Iterative Dichotomiser 3 (ID3) Decision Tree rather than other complex learning method, thus the proposed algorithm has lower computing complexity than most existing algorithms. Considering that frequent changing of attributes may lead to quality loss of the recovered audio signal, this paper also design a modified subsequent process to help the whole classification system reach an accurate rate as high as 97% which is comparable to classical 99%.

Mathematical Analysis of EEG of Patients with Non-fatal Nonspecific Diffuse Encephalitis

Diffuse viral encephalitis may lack fever and other cardinal signs of infection and hence its distinction from other acute encephalopathic illnesses is challenging. Often, the EEG changes seen routinely are nonspecific and reflect diffuse encephalopathic changes only. The aim of this study was to use nonlinear dynamic mathematical techniques for analyzing the EEG data in order to look for any characteristic diagnostic patterns in diffuse forms of encephalitis.It was diagnosed on clinical, imaging and cerebrospinal fluid criteria in three young male patients. Metabolic and toxic encephalopathies were ruled out through appropriate investigations. Digital EEGs were done on the 3rd to 5th day of onset. The digital EEGs of 5 male and 5 female age and sex matched healthy volunteers served as controls.Two sample t-test indicated that there was no statistically significant difference between the average values in amplitude between the two groups. However, the standard deviation (or variance) of the EEG signals at FP1-F7 and FP2-F8 are significantly higher for the patients than the normal subjects. The regularisation dimension is significantly less for the patients (average between 1.24-1.43) when compared to the normal persons (average between 1.41-1.63) for the EEG signals from all locations except for the Fz-Cz signal. Similarly the wavelet dimension is significantly less (P = 0.05*) for the patients (1.122) when compared to the normal person (1.458). EEGs are subdued in the case of the patients with presence of uniform patterns, manifested in the values of regularisation and wavelet dimensions, when compared to the normal person, indicating a decrease in chaotic nature.

Denoising by Spatial Domain Averaging for Wireless Local Area Network Terminal Localization

Terminal localization for indoor Wireless Local Area Networks (WLANs) is critical for the deployment of location-aware computing inside of buildings. A major challenge is obtaining high localization accuracy in presence of fluctuations of the received signal strength (RSS) measurements caused by multipath fading. This paper focuses on reducing the effect of the distance-varying noise by spatial filtering of the measured RSS. Two different survey point geometries are tested with the noise reduction technique: survey points arranged in sets of clusters and survey points uniformly distributed over the network area. The results show that the location accuracy improves by 16% when the filter is used and by 18% when the filter is applied to a clustered survey set as opposed to a straight-line survey set. The estimated locations are within 2 m of the true location, which indicates that clustering the survey points provides better localization accuracy due to superior noise removal.

Exact Solution of the Ising Model on the 15 X 15 Square Lattice with Free Boundary Conditions

The square-lattice Ising model is the simplest system showing phase transitions (the transition between the paramagnetic phase and the ferromagnetic phase and the transition between the paramagnetic phase and the antiferromagnetic phase) and critical phenomena at finite temperatures. The exact solution of the squarelattice Ising model with free boundary conditions is not known for systems of arbitrary size. For the first time, the exact solution of the Ising model on the square lattice with free boundary conditions is obtained after classifying all ) spin configurations with the microcanonical transfer matrix. Also, the phase transitions and critical phenomena of the square-lattice Ising model are discussed using the exact solution on the square lattice with free boundary conditions.

Low Power Bus Binding Based on Dynamic Bit Reordering

In this paper, the problem of reducing switching activity in on-chip buses at the stage of high-level synthesis is considered, and a high-level low power bus binding based on dynamic bit reordering is proposed. Whereas conventional methods use a fixed bit ordering between variables within a bus, the proposed method switches a bit ordering dynamically to obtain a switching activity reduction. As a result, the proposed method finds a binding solution with a smaller value of total switching activity (TSA). Experimental result shows that the proposed method obtains a binding solution having 12.0-34.9% smaller TSA compared with the conventional methods.

Surgical Theater Utilization and PACU Staffing

In this work, the surgical theater of a local hospital in KSA was analyzed using simulation. The focus was on attempting to answer questions related to how many Operating Rooms (ORs) to open and to analyze the performance of the surgical theater in general and mainly the Post Anesthesia Care Unit (PACU) to assist making decisions regarding PACU staffing. The surgical theater consists of ten operating rooms and the PACU unit which has a maximum capacity of fifteen beds. Different sequencing rules to sequence the surgical cases were tested and the Longest Case First (LCF) were superior to others. The results of the different alternatives developed and tested can be used by the manager as a tool to plan and manage the OR and PACU

Characterisation of Hydrocarbons in Atmospheric Aerosols from Different European Sites

The concentrations of aliphatic and polycyclic aromatic hydrocarbons (PAH) were determined in atmospheric aerosol samples collected at a rural site in Hungary (K-puszta, summer 2008), a boreal forest (Hyytiälä,  April 2007) and a polluted rural area in Italy (San Pietro Capofiume, Po Valley, April 2008). A clear distinction between “clean" and “polluted" periods was observed. Concentrations obtained for Hyytiälä are significantly lower than those for the other two sites. Source reconciliation was performed using diagnostic parameters, such as the carbon preference index and ratios between PAH. The presence of an unresolved complex mixture of hydrocarbons, especially for the Finnish and Italian samples, is indicative of petrogenic inputs. In K-puszta, the aliphatic hydrocarbons are dominated by leaf wax n-alkanes. The long range transport of anthropogenic pollution contributed to the Finnish aerosol. Industrial activities and vehicular emissions represent major sources in San Pietro Capofiume. PAH in K-puszta consist of both pyrogenic and petrogenic compounds.

Biosensor Measurement of Urea Coonncentration in Human Blood Serum

An application of the highly biosensor based on pH-sensitive field immobilized urease for urea analysis was demo The main analytical characteristics of the bios determined; the conditions of urea measureme blood were optimized. A conceptual possibility biosensor for detection of urea concentratio patients suffering from renal insufficiency was sensitive and selective effect transistor and monstrated in this work. iosensor developed were ment in real samples of ility of application of the tion in blood serum of as shown.

Identification of Seat Belt Wearing Compliance Associate Factors in Malaysia: Evidence-based Approach

The aim of the study was to identify seat belt wearing factor among road users in Malaysia. Evidence-based approach through in-depth crash investigation was utilised to determine the intended objectives. The objective was scoped into crashes investigated by Malaysian Institute of Road Safety Research (MIROS) involving passenger vehicles within 2007 and 2010. Crash information of a total of 99 crash cases involving 240 vehicles and 864 occupants were obtained during the study period. Statistical test and logistic regression analysis have been performed. Results of the analysis revealed that gender, seat position and age were associated with seat belt wearing compliance in Malaysia. Males are 97.6% more likely to wear seat belt compared to females (95% CI 1.317 to 2.964). By seat position, the finding indicates that frontal occupants were 82 times more likely to be wearing seat belt (95% CI 30.199 to 225.342) as compared to rear occupants. It is also important to note that the odds of seat belt wearing increased by about 2.64% (95% CI 1.0176 to 1.0353) for every one year increase in age. This study is essential in understanding the Malaysian tendency in belting up while being occupied in a vehicle. The factors highlighted in this study should be emphasized in road safety education in order to increase seat belt wearing rate in this country and ultimately in preventing deaths due to road crashes.

Simulation of Enhanced Biomass Gasification for Hydrogen Production using iCON

Due to the environmental and price issues of current energy crisis, scientists and technologists around the globe are intensively searching for new environmentally less-impact form of clean energy that will reduce the high dependency on fossil fuel. Particularly hydrogen can be produced from biomass via thermochemical processes including pyrolysis and gasification due to the economic advantage and can be further enhanced through in-situ carbon dioxide removal using calcium oxide. This work focuses on the synthesis and development of the flowsheet for the enhanced biomass gasification process in PETRONAS-s iCON process simulation software. This hydrogen prediction model is conducted at operating temperature between 600 to 1000oC at atmospheric pressure. Effects of temperature, steam-to-biomass ratio and adsorbent-to-biomass ratio were studied and 0.85 mol fraction of hydrogen is predicted in the product gas. Comparisons of the results are also made with experimental data from literature. The preliminary economic potential of developed system is RM 12.57 x 106 which equivalent to USD 3.77 x 106 annually shows economic viability of this process.

Investigation of Behavior on the Contact Surface of the Tire and Ground by CFD Simulation

Tread design has evolved over the years to achieve the common tread pattern used in current vehicles. However, to meet safety and comfort requirements, tread design considers more than one design factor. Tread design must consider the grip and drainage, and the manner in which to reduce rolling noise, which is one of the main factors considered by manufacturers. The main objective of this study was the application the computational fluid dynamics (CFD) technique to simulate the contact surface of the tire and ground. The results demonstrated an air-Pumping and large pressure drop effect in the process of contact surface. The results also revealed that the pressure can be used to analyze sound pressure level (SPL).

Early Onset Neonatal Sepsis Pathogens in Malaysian Hospitals: Determining Empiric Antibiotic

Information regarding early onset neonatal sepsis (EONS) pathogens may vary between regions. Global perspectives showed Group B Streptococcal (GBS) as the most common causative pathogens, but the widespread use of intrapartum antibiotics has changed the pathogens pattern towards gram negative microorganisms, especially E. coli. Objective of this study is to describe the pathogens isolated, to assess current treatment and risk of EONS. Records of 899 neonates born in three General Hospitals between 2009 until 2012 were retrospectively reviewed. Proven was found in 22 (3%) neonates. The majority was isolated with gram positive organisms, 17 (2.3%). All grams positive and most gram negative organisms showed sensitivity to the tested antibiotics. Only two rare gram negative organisms showed total resistant. Male was possible risk of proven EONS. Although proven EONS remains uncommon in Malaysia, nonetheless, the effect of intrapartum antibiotics still required continuous surveillance.

The Potential Use of Nanofilters to Supply Potable Water in Persian Gulf and Oman Sea Watershed Basin

In a world worried about water resources with the shadow of drought and famine looming all around, the quality of water is as important as its quantity. The source of all concerns is the constant reduction of per capita quality water for different uses. Iran With an average annual precipitation of 250 mm compared to the 800 mm world average, Iran is considered a water scarce country and the disparity in the rainfall distribution, the limitations of renewable resources and the population concentration in the margins of desert and water scarce areas have intensified the problem. The shortage of per capita renewable freshwater and its poor quality in large areas of the country, which have saline, brackish or hard water resources, and the profusion of natural and artificial pollutant have caused the deterioration of water quality. Among methods of treatment and use of these waters one can refer to the application of membrane technologies, which have come into focus in recent years due to their great advantages. This process is quite efficient in eliminating multi-capacity ions; and due to the possibilities of production at different capacities, application as treatment process in points of use, and the need for less energy in comparison to Reverse Osmosis processes, it can revolutionize the water and wastewater sector in years to come. The article studied the different capacities of water resources in the Persian Gulf and Oman Sea watershed basins, and processes the possibility of using nanofiltration process to treat brackish and non-conventional waters in these basins.

A Trainable Neural Network Ensemble for ECG Beat Classification

This paper illustrates the use of a combined neural network model for classification of electrocardiogram (ECG) beats. We present a trainable neural network ensemble approach to develop customized electrocardiogram beat classifier in an effort to further improve the performance of ECG processing and to offer individualized health care. We process a three stage technique for detection of premature ventricular contraction (PVC) from normal beats and other heart diseases. This method includes a denoising, a feature extraction and a classification. At first we investigate the application of stationary wavelet transform (SWT) for noise reduction of the electrocardiogram (ECG) signals. Then feature extraction module extracts 10 ECG morphological features and one timing interval feature. Then a number of multilayer perceptrons (MLPs) neural networks with different topologies are designed. The performance of the different combination methods as well as the efficiency of the whole system is presented. Among them, Stacked Generalization as a proposed trainable combined neural network model possesses the highest recognition rate of around 95%. Therefore, this network proves to be a suitable candidate in ECG signal diagnosis systems. ECG samples attributing to the different ECG beat types were extracted from the MIT-BIH arrhythmia database for the study.