Molecular Dynamic Simulation and Receptor-based Pharmacophore Modeling on Human Renin for Discovery of Novel Inhibitors

Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.

A High-Speed Multiplication Algorithm Using Modified Partial Product Reduction Tree

Multiplication algorithms have considerable effect on processors performance. A new high-speed, low-power multiplication algorithm has been presented using modified Dadda tree structure. Three important modifications have been implemented in inner product generation step, inner product reduction step and final addition step. Optimized algorithms have to be used into basic computation components, such as multiplication algorithms. In this paper, we proposed a new algorithm to reduce power, delay, and transistor count of a multiplication algorithm implemented using low power modified counter. This work presents a novel design for Dadda multiplication algorithms. The proposed multiplication algorithm includes structured parts, which have important effect on inner product reduction tree. In this paper, a 1.3V, 64-bit carry hybrid adder is presented for fast, low voltage applications. The new 64-bit adder uses a new circuit to implement the proposed carry hybrid adder. The new adder using 80 nm CMOS technology has been implemented on 700 MHz clock frequency. The proposed multiplication algorithm has achieved 14 percent improvement in transistor count, 13 percent reduction in delay and 12 percent modification in power consumption in compared with conventional designs.

On the Sphere Method of Linear Programming Using Multiple Interior Points Approach

The Sphere Method is a flexible interior point algorithm for linear programming problems. This was developed mainly by Professor Katta G. Murty. It consists of two steps, the centering step and the descent step. The centering step is the most expensive part of the algorithm. In this centering step we proposed some improvements such as introducing two or more initial feasible solutions as we solve for the more favorable new solution by objective value while working with the rigorous updates of the feasible region along with some ideas integrated in the descent step. An illustration is given confirming the advantage of using the proposed procedure.

Face Detection using Gabor Wavelets and Neural Networks

This paper proposes new hybrid approaches for face recognition. Gabor wavelets representation of face images is an effective approach for both facial action recognition and face identification. Perform dimensionality reduction and linear discriminate analysis on the down sampled Gabor wavelet faces can increase the discriminate ability. Nearest feature space is extended to various similarity measures. In our experiments, proposed Gabor wavelet faces combined with extended neural net feature space classifier shows very good performance, which can achieve 93 % maximum correct recognition rate on ORL data set without any preprocessing step.

3D Anisotropic Diffusion for Liver Segmentation

Liver segmentation is the first significant process for liver diagnosis of the Computed Tomography. It segments the liver structure from other abdominal organs. Sophisticated filtering techniques are indispensable for a proper segmentation. In this paper, we employ a 3D anisotropic diffusion as a preprocessing step. While removing image noise, this technique preserve the significant parts of the image, typically edges, lines or other details that are important for the interpretation of the image. The segmentation task is done by using thresholding with automatic threshold values selection and finally the false liver region is eliminated using 3D connected component. The result shows that by employing the 3D anisotropic filtering, better liver segmentation results could be achieved eventhough simple segmentation technique is used.

The Effect of Maximum Strain on Fatigue Life Prediction for Natural Rubber Material

Fatigue life prediction and evaluation are the key technologies to assure the safety and reliability of automotive rubber components. The objective of this study is to develop the fatigue analysis process for vulcanized rubber components, which is applicable to predict fatigue life at initial product design step. Fatigue life prediction methodology of vulcanized natural rubber was proposed by incorporating the finite element analysis and fatigue damage parameter of maximum strain appearing at the critical location determined from fatigue test. In order to develop an appropriate fatigue damage parameter of the rubber material, a series of displacement controlled fatigue test was conducted using threedimensional dumbbell specimen with different levels of mean displacement. It was shown that the maximum strain was a proper damage parameter, taking the mean displacement effects into account. Nonlinear finite element analyses of three-dimensional dumbbell specimens were performed based on a hyper-elastic material model determined from the uni-axial tension, equi-biaxial tension and planar test. Fatigue analysis procedure employed in this study could be used approximately for the fatigue design.

Injection Molding of Inconel718 Parts for Aerospace Application Using Novel Binder System Based On Palm Oil Derivatives

Inconel718 has been widely used as a super alloy in aerospace application due to the high strength at elevated temperatures, satisfactory oxidation resistance and heat corrosion resistance. In this study, the Inconel718 has been fabricated using high technology of Metal Injection Molding (MIM) process due to the cost effective technique for producing small, complex and precision parts in high volume compared with conventional method through machining. Through MIM, the binder system is one of the most important criteria in order to successfully fabricate the Inconel718. Even though, the binder system is a temporary, but failure in the selection and removal of the binder system will affect on the final properties of the sintered parts. Therefore, the binder system based on palm oil derivative which is palm stearin has been formulated and developed to replace the conventional binder system. The rheological studies of the mixture between the powder and binders system have been determined properly in order to be successful during injection into injection molding machine. After molding, the binder holds the particles in place. The binder system has to be removed completely through debinding step. During debinding step, solvent debinding and thermal pyrolysis has been used to remove completely of the binder system. The debound part is then sintered to give the required physical and mechanical properties. The results show that the properties of the final sintered parts fulfill the Standard Metal Powder Industries Federation (MPIF) 35 for MIM parts.

Addressing Security Concerns of Data Exchange in AODV Protocol

The Ad Hoc on demand distance vector (AODV) routing protocol is designed for mobile ad hoc networks (MANETs). AODV offers quick adaptation to dynamic link conditions; it is characterized by low memory overhead and low network utilization. The security issues related to the protocol remain challenging for the wireless network designers. Numerous schemes have been proposed for establishing secure communication between end users, these schemes identify that the secure operation of AODV is a bi tier task (routing and secure exchange of information at separate levels). Our endeavor in this paper would focus on achieving the routing and secure data exchange in a single step. This will facilitate the user nodes to perform routing, mutual authentications, generation and secure exchange of session key in one step thus ensuring confidentiality, integrity and authentication of data exchange in a more suitable way.

Development of Variable Stepsize Variable Order Block Method in Divided Difference Form for the Numerical Solution of Delay Differential Equations

This paper considers the development of a two-point predictor-corrector block method for solving delay differential equations. The formulae are represented in divided difference form and the algorithm is implemented in variable stepsize variable order technique. The block method produces two new values at a single integration step. Numerical results are compared with existing methods and it is evident that the block method performs very well. Stability regions of the block method are also investigated.

PTFE Capillary-Based DNA Amplification within an Oscillatory Thermal Cycling Device

This study describes a capillary-based device integrated with the heating and cooling modules for polymerase chain reaction (PCR). The device consists of the reaction polytetrafluoroethylene (PTFE) capillary, the aluminum blocks, and is equipped with two cartridge heaters, a thermoelectric (TE) cooler, a fan, and some thermocouples for temperature control. The cartridge heaters are placed into the heating blocks and maintained at two different temperatures to achieve the denaturation and the extension step. Some thermocouples inserted into the capillary are used to obtain the transient temperature profiles of the reaction sample during thermal cycles. A 483-bp DNA template is amplified successfully in the designed system and the traditional thermal cycler. This work should be interesting to persons involved in the high-temperature based reactions and genomics or cell analysis.

On the use of Ionic Liquids for CO2 Capturing

In this work, ionic liquids (ILs) for CO2 capturing in typical absorption/stripper process are considered. The use of ionic liquids is considered to be cost-effective because it requires less energy for solvent recovery compared to other conventional processes. A mathematical model is developed for the process based on Peng-Robinson (PR) equation of state (EoS) which is validated with experimental data for various solutions involving CO2. The model is utilized to study the sorbent and energy demand for three types of ILs at specific CO2 capturing rates. The energy demand is manifested by the vapor-liquid equilibrium temperature necessary to remove the captured CO2 from the used solvent in the regeneration step. It is found that higher recovery temperature is required for solvents with higher solubility coefficient. For all ILs, the temperature requirement is less than that required by the typical monoethanolamine (MEA) solvent. The effect of the CO2 loading in the sorbent stream on the process performance is also examined.

Segmental and Subsegmental Lung Vessel Segmentation in CTA Images

In this paper, a novel and fast algorithm for segmental and subsegmental lung vessel segmentation is introduced using Computed Tomography Angiography images. This process is quite important especially at the detection of pulmonary embolism, lung nodule, and interstitial lung disease. The applied method has been realized at five steps. At the first step, lung segmentation is achieved. At the second one, images are threshold and differences between the images are detected. At the third one, left and right lungs are gathered with the differences which are attained in the second step and Exact Lung Image (ELI) is achieved. At the fourth one, image, which is threshold for vessel, is gathered with the ELI. Lastly, identifying and segmentation of segmental and subsegmental lung vessel have been carried out thanks to image which is obtained in the fourth step. The performance of the applied method is found quite well for radiologists and it gives enough results to the surgeries medically.

Distributed Frequency Synchronization for Global Synchronization in Wireless Mesh Networks

In this paper, our focus is to assure a global frequency synchronization in OFDMA-based wireless mesh networks with local information. To acquire the global synchronization in distributed manner, we propose a novel distributed frequency synchronization (DFS) method. DFS is a method that carrier frequencies of distributed nodes converge to a common value by repetitive estimation and averaging step and sharing step. Experimental results show that DFS achieves noteworthy better synchronization success probability than existing schemes in OFDMA-based mesh networks where the estimation error is presented.

New Features for Specific JPEG Steganalysis

We present in this paper a new approach for specific JPEG steganalysis and propose studying statistics of the compressed DCT coefficients. Traditionally, steganographic algorithms try to preserve statistics of the DCT and of the spatial domain, but they cannot preserve both and also control the alteration of the compressed data. We have noticed a deviation of the entropy of the compressed data after a first embedding. This deviation is greater when the image is a cover medium than when the image is a stego image. To observe this deviation, we pointed out new statistic features and combined them with the Multiple Embedding Method. This approach is motivated by the Avalanche Criterion of the JPEG lossless compression step. This criterion makes possible the design of detectors whose detection rates are independent of the payload. Finally, we designed a Fisher discriminant based classifier for well known steganographic algorithms, Outguess, F5 and Hide and Seek. The experiemental results we obtained show the efficiency of our classifier for these algorithms. Moreover, it is also designed to work with low embedding rates (< 10-5) and according to the avalanche criterion of RLE and Huffman compression step, its efficiency is independent of the quantity of hidden information.

Thermal and Electrical Properties of Carbon Nanotubes Purified by Acid Digestion

Carbon nanotubes (CNTs) possess unique structural, mechanical, thermal and electronic properties, and have been proposed to be used for applications in many fields. However, to reach the full potential of the CNTs, many problems still need to be solved, including the development of an easy and effective purification procedure, since synthesized CNTs contain impurities, such as amorphous carbon, carbon nanoparticles and metal particles. Different purification methods yield different CNT characteristics and may be suitable for the production of different types of CNTs. In this study, the effect of different purification chemicals on carbon nanotube quality was investigated. CNTs were firstly synthesized by chemical vapor deposition (CVD) of acetylene (C2H2) on a magnesium oxide (MgO) powder impregnated with an iron nitrate (Fe(NO3)3·9H2O) solution. The synthesis parameters were selected as: the synthesis temperature of 800°C, the iron content in the precursor of 5% and the synthesis time of 30 min. The liquid phase oxidation method was applied for the purification of the synthesized CNT materials. Three different acid chemicals (HNO3, H2SO4, and HCl) were used in the removal of the metal catalysts from the synthesized CNT material to investigate the possible effects of each acid solution to the purification step. Purification experiments were carried out at two different temperatures (75 and 120 °C), two different acid concentrations (3 and 6 M) and for three different time intervals (6, 8 and 15 h). A 30% H2O2 : 3M HCl (1:1 v%) solution was also used in the purification step to remove both the metal catalysts and the amorphous carbon. The purifications using this solution were performed at the temperature of 75°C for 8 hours. Purification efficiencies at different conditions were evaluated by thermogravimetric analysis. Thermal and electrical properties of CNTs were also determined. It was found that the obtained electrical conductivity values for the carbon nanotubes were typical for organic semiconductor materials and thermal stabilities were changed depending on the purification chemicals.

Effect of Substituent on Titanocene/MMAO Catalyst for Ethylene/1-Hexene Copolymerization

Copolymerization of ethylene with 1-hexene was carried out using two ansa-fluorenyl titanium derivative complexes. The substituent effect on the catalytic activity, monomer reactivity ratio and polymer property was investigated. It was found that the presence of t-Bu groups on fluorenyl ring exhibited remarkable catalytic activity and produced polymer with high molecular weight. However, these catalysts produce polymer with narrow molecular weight distribution, indicating the characteristic of single-site metallocene catalyst. Based on 13C NMR, we can observe that monomer reactivity ratio was affected by catalyst structure. The rH values of complex 2 were lower than that of complex 1 which might be result from the higher steric hindrance leading to a reduction of 1- hexene insertion step.

Stress Analysis for Two Fitted Thin Walled Cylinder with High Angular Velocity

In this paper stress and strain for two rotating thin wall cylinder fitted together with initial interference and overlap are computed. Also stress value for variation of initial interference is calculated. At first problem is considered without rotation and next angular velocity increased from 0 to 50000 rev/min and stress in each stage is calculated. The important point is that when stress become very small in magnitude the angular velocity is critical and two cylinders will separate. The critical speed i.e. speed of separation is calculated in each step.

A Monte Carlo Method to Data Stream Analysis

Data stream analysis is the process of computing various summaries and derived values from large amounts of data which are continuously generated at a rapid rate. The nature of a stream does not allow a revisit on each data element. Furthermore, data processing must be fast to produce timely analysis results. These requirements impose constraints on the design of the algorithms to balance correctness against timely responses. Several techniques have been proposed over the past few years to address these challenges. These techniques can be categorized as either dataoriented or task-oriented. The data-oriented approach analyzes a subset of data or a smaller transformed representation, whereas taskoriented scheme solves the problem directly via approximation techniques. We propose a hybrid approach to tackle the data stream analysis problem. The data stream has been both statistically transformed to a smaller size and computationally approximated its characteristics. We adopt a Monte Carlo method in the approximation step. The data reduction has been performed horizontally and vertically through our EMR sampling method. The proposed method is analyzed by a series of experiments. We apply our algorithm on clustering and classification tasks to evaluate the utility of our approach.

Real-Time Vision-based Korean Finger Spelling Recognition System

Finger spelling is an art of communicating by signs made with fingers, and has been introduced into sign language to serve as a bridge between the sign language and the verbal language. Previous approaches to finger spelling recognition are classified into two categories: glove-based and vision-based approaches. The glove-based approach is simpler and more accurate recognizing work of hand posture than vision-based, yet the interfaces require the user to wear a cumbersome and carry a load of cables that connected the device to a computer. In contrast, the vision-based approaches provide an attractive alternative to the cumbersome interface, and promise more natural and unobtrusive human-computer interaction. The vision-based approaches generally consist of two steps: hand extraction and recognition, and two steps are processed independently. This paper proposes real-time vision-based Korean finger spelling recognition system by integrating hand extraction into recognition. First, we tentatively detect a hand region using CAMShift algorithm. Then fill factor and aspect ratio estimated by width and height estimated by CAMShift are used to choose candidate from database, which can reduce the number of matching in recognition step. To recognize the finger spelling, we use DTW(dynamic time warping) based on modified chain codes, to be robust to scale and orientation variations. In this procedure, since accurate hand regions, without holes and noises, should be extracted to improve the precision, we use graph cuts algorithm that globally minimize the energy function elegantly expressed by Markov random fields (MRFs). In the experiments, the computational times are less than 130ms, and the times are not related to the number of templates of finger spellings in database, as candidate templates are selected in extraction step.

Synthesis of Aragonite Superstructure from Steelmaking Slag via Indirect CO2 Mineral Sequestration

Using steelmaking slag as a raw material, aragonite superstructure product had been synthesized via an indirect CO2 mineral sequestration rout. It mainly involved two separate steps, in which the element of calcium is first selectively leached from steelmaking slag by a novel leaching media consisting of organic solvent Tributyl phosphate (TBP), acetic acid, and ultra-purity water, followed by enhanced carbonation in a separate step for aragonite superstructure production as well as efficiency recovery of leaching media. Based on the different leaching medium employed in the steelmaking slag leaching process, two typical products were collected from the enhanced carbonation step. The products were characterized by X-ray powder diffraction (XRD) and scanning electron microscopy (SEM), respectively. It reveals that the needle-like aragonite crystals self-organized into aragonite superstructure particles including aragonite microspheres as well as dumbbell-like spherical particles, can be obtained from the steelmaking slag with the purity over 99%.