Molecular Dynamics Study on Laninamivir Inhibiting Neuraminidases of H5N1 and pH1N1 Influenza a Viruses

Viral influenza A subtypes H5N1 and pandemic H1N1 (pH1N1) have worldwide emerged and transmitted. The most common anti-influenza drug for treatment of both seasonal and pandemic influenza viruses is oseltamivir that nowadays becomes resistance to influenza neuraminidase. The novel long-acting drug, laninamivir, was discovered for treatment of the patients infected with influenza B and influenza A viruses. In the present study, laninamivir complexed with wild-type strain of both H5N1 and pH1N1 viruses were comparatively determined the structures and drug-target interactions by means of molecular dynamics (MD) simulations. The results show that the hydrogen bonding interactions formed between laninamivir and its binding residues are likely similar for the two systems. Additionally, the presence of intermolecular interactions from laninamivir to the residues in the binding pocket is established through their side chains in accordance with hydrogen bond interactions.

Sensitivity Computations of Time Relaxation Model with an Application in Cavity Computation

We present a numerical study of the sensitivity of the so called time relaxation family of models of fluid motion with respect to the time relaxation parameter χ on the two dimensional cavity problem. The goal of the study is to compute and compare the sensitivity of the model using finite difference method (FFD) and sensitivity equation method (SEM).

A Technique for Reachability Graph Generation for the Petri Net Models of Parallel Processes

Reachability graph (RG) generation suffers from the problem of exponential space and time complexity. To alleviate the more critical problem of time complexity, this paper presents the new approach for RG generation for the Petri net (PN) models of parallel processes. Independent RGs for each parallel process in the PN structure are generated in parallel and cross-product of these RGs turns into the exhaustive state space from which the RG of given parallel system is determined. The complexity analysis of the presented algorithm illuminates significant decrease in the time complexity cost of RG generation. The proposed technique is applicable to parallel programs having multiple threads with the synchronization problem.

Fingerprint Identification using Discretization Technique

Fingerprint based identification system; one of a well known biometric system in the area of pattern recognition and has always been under study through its important role in forensic science that could help government criminal justice community. In this paper, we proposed an identification framework of individuals by means of fingerprint. Different from the most conventional fingerprint identification frameworks the extracted Geometrical element features (GEFs) will go through a Discretization process. The intention of Discretization in this study is to attain individual unique features that could reflect the individual varianceness in order to discriminate one person from another. Previously, Discretization has been shown a particularly efficient identification on English handwriting with accuracy of 99.9% and on discrimination of twins- handwriting with accuracy of 98%. Due to its high discriminative power, this method is adopted into this framework as an independent based method to seek for the accuracy of fingerprint identification. Finally the experimental result shows that the accuracy rate of identification of the proposed system using Discretization is 100% for FVC2000, 93% for FVC2002 and 89.7% for FVC2004 which is much better than the conventional or the existing fingerprint identification system (72% for FVC2000, 26% for FVC2002 and 32.8% for FVC2004). The result indicates that Discretization approach manages to boost up the classification effectively, and therefore prove to be suitable for other biometric features besides handwriting and fingerprint.

Prediction of the Rear Fuselage Temperature with Radiation Shield

In order to enhance the aircraft survivability, the infrared signatures emitted by hot engine parts should be determined exactly. For its reduction it is necessary for the rear fuselage temperature to be decreased. In this study, numerical modeling of flow fields and heat transfer characteristics of an aircraft nozzle is performed and its temperature distribution along each component wall is predicted. The radiation shield is expected to reduce the skin temperature of rear fuselage. The effect of material characteristic of radiation shield on the heat transfer is also investigated. Through this numerical analysis, design parameters related to the susceptibility of aircraft are examined.

Acceptance Single Sampling Plan with Fuzzy Parameter with The Using of Poisson Distribution

This purpose of this paper is to present the acceptance single sampling plan when the fraction of nonconforming items is a fuzzy number and being modeled based on the fuzzy Poisson distribution. We have shown that the operating characteristic (oc) curves of the plan is like a band having a high and low bounds whose width depends on the ambiguity proportion parameter in the lot when that sample size and acceptance numbers is fixed. Finally we completed discuss opinion by a numerical example. And then we compared the oc bands of using of binomial with the oc bands of using of Poisson distribution.

A Web Designer Agent, Based On Usage Mining Online Behavior of Visitors

Website plays a significant role in success of an e-business. It is the main start point of any organization and corporation for its customers, so it's important to customize and design it according to the visitors' preferences. Also, websites are a place to introduce services of an organization and highlight new service to the visitors and audiences. In this paper, we will use web usage mining techniques, as a new field of research in data mining and knowledge discovery, in an Iranian government website. Using the results, a framework for web content layour is proposed. An agent is designed to dynamically update and improve web links locations and layout. Then, we will explain how it is used to directly enable top managers of the organization to influence on the arrangement of web contents and also to enhance customization of web site navigation due to online users' behaviors.

Calculating Strain Energy in Multi-Surface Models of Cyclic Plasticity

When considering the development of constitutive equations describing the behavior of materials under cyclic plastic strains, different kinds of formulations can be adopted. The primary intention of this study is to develop computer programming of plasticity models to accurately predict the life of engineering components. For this purpose, the energy or cyclic strain is computed in multi-surface plasticity models in non-proportional loading and to present their procedures and codes results.

Analysis of Precipitation and Temperature Trends in Sefid-Roud Basin

Temperature, humidity and precipitation in an area, are parameters proved influential in the climate of that area, and one should recognize them so that he can determine the climate of that area. Climate changes are of primary importance in climatology, and in recent years, have been of great concern to researchers and even politicians and organizations, for they can play an important role in social, political and economic activities. Even though the real cause of climate changes or their stability is not yet fully recognized, they are a matter of concern to researchers and their importance for countries has prompted them to investigate climate changes in different levels, especially in regional, national and continental level. This issue has less been investigated in our country. However, in recent years, there have been some researches and conferences on climate changes. This study is also in line with such researches and tries to investigate and analyze the trends of climate changes (temperature and precipitation) in Sefid-roud (the name of a river) basin. Three parameters of mean annual precipitation, temperature, and maximum and minimum temperatures in 36 synoptic and climatology stations in a statistical period of 49 years (1956-2005) in the stations of Sefid-roud basin were analyzed by Mann-Kendall test. The results obtained by data analysis show that climate changes are short term and have a trend. The analysis of mean temperature revealed that changes have a significantly rising trend, besides the precipitation has a significantly falling trend.

Deflocculation and Gelation of Porcelain Ceramics

Deflocculation and gel characterization were investigated for three different composition of porcelain slips at specific gravity 1.8. The suspensions were dispersed with sodium silicate (Na2SiO3) in under-deflocculated slips and fully deflocculated slips. The rheology characterization of slips was conducted by the deflocculation curves and the gel curves. The results showed that decreasing the amount of the ball clay composition in the slips consumed less dosages of the dispersants. The under-deflocculated slips tended to have a gelation rate faster than the fully deflocculated slips.

Bioprocessing of Proximally Analyzed Wheat Straw for Enhanced Cellulase Production through Process Optimization with Trichodermaviride under SSF

The purpose of the present work was to study the production and process parameters optimization for the synthesis of cellulase from Trichoderma viride in solid state fermentation (SSF) using an agricultural wheat straw as substrates; as fungal conversion of lignocellulosic biomass for cellulase production is one among the major increasing demand for various biotechnological applications. An optimization of process parameters is a necessary step to get higher yield of product. Several kinetic parameters like pretreatment, extraction solvent, substrate concentration, initial moisture content, pH, incubation temperature and inoculum size were optimized for enhanced production of third most demanded industrially important cellulase. The maximum cellulase enzyme activity 398.10±2.43 μM/mL/min was achieved when proximally analyzed lignocellulosic substrate wheat straw inocubated at 2% HCl as pretreatment tool along with distilled water as extraction solvent, 3% substrate concentration 40% moisture content with optimum pH 5.5 at 45°C incubation temperature and 10% inoculum size.

JConqurr - A Multi-Core Programming Toolkit for Java

With the popularity of the multi-core and many-core architectures there is a great requirement for software frameworks which can support parallel programming methodologies. In this paper we introduce an Eclipse toolkit, JConqurr which is easy to use and provides robust support for flexible parallel progrmaming. JConqurr is a multi-core and many-core programming toolkit for Java which is capable of providing support for common parallel programming patterns which include task, data, divide and conquer and pipeline parallelism. The toolkit uses an annotation and a directive mechanism to convert the sequential code into parallel code. In addition to that we have proposed a novel mechanism to achieve the parallelism using graphical processing units (GPU). Experiments with common parallelizable algorithms have shown that our toolkit can be easily and efficiently used to convert sequential code to parallel code and significant performance gains can be achieved.

Designing Pictogram for Food Portion Size

The objective of this paper is to investigate a new approach based on the idea of pictograms for food portion size. This approach adopts the model of the United States Pharmacopeia- Drug Information (USP-DI). The representation of each food portion size composed of three parts: frame, the connotation of dietary portion sizes and layout. To investigate users- comprehension based on this approach, two experiments were conducted, included 122 Taiwanese people, 60 male and 62 female with ages between 16 and 64 (divided into age groups of 16-30, 31-45 and 46-64). In Experiment 1, the mean correcting rate of the understanding level of food items is 48.54% (S.D.= 95.08) and the mean response time 2.89sec (S.D.=2.14). The difference on the correct rates for different age groups is significant (P*=0.00

Free Vibration Analysis of Carbon Nanotube Reinforced Laminated Composite Panels

In this paper, free vibration analysis of carbon nanotube (CNT) reinforced laminated composite panels is presented. Three types of panels such as flat, concave and convex are considered for study. Numerical simulation is carried out using commercially available finite element analysis software ANSYS. Numerical homogenization is employed to calculate the effective elastic properties of randomly distributed carbon nanotube reinforced composites. To verify the accuracy of the finite element method, comparisons are made with existing results available in the literature for conventional laminated composite panels and good agreements are obtained. The results of the CNT reinforced composite materials are compared with conventional composite materials under different boundary conditions.

The Economic Lot Scheduling Problem in Flow Lines with Sequence-Dependent Setups

The problem of lot sizing, sequencing and scheduling multiple products in flow line production systems has been studied by several authors. Almost all of the researches in this area assumed that setup times and costs are sequence –independent even though sequence dependent setups are common in practice. In this paper we present a new mixed integer non linear program (MINLP) and a heuristic method to solve the problem in sequence dependent case. Furthermore, a genetic algorithm has been developed which applies this constructive heuristic to generate initial population. These two proposed solution methods are compared on randomly generated problems. Computational results show a clear superiority of our proposed GA for majority of the test problems.

Evaluation of Power Factor Corrected AC - DC Converters and Controllers to meet UPS Performance Index

Harmonic pollution and low power factor in power systems caused by power converters have been of great concern. To overcome these problems several converter topologies using advanced semiconductor devices and control schemes have been proposed. This investigation is to identify a low cost, small size, efficient and reliable ac to dc converter to meet the input performance index of UPS. The performance of single phase and three phase ac to dc converter along with various control techniques are studied and compared. The half bridge converter topology with linear current control is identified as most suitable. It is simple, energy efficient because of single switch power loss and transformer-less operation of UPS. The results are validated practically using a prototype built using IGBT and analog controller. The performance for both single and three-phase system is verified. Digital implementation of closed loop control achieves higher reliability. Its cost largely depends on chosen bit precision. The minimal bit precision for optimum converter performance is identified as 16-bit with fixed-point operation. From the investigation and practical implementation it is concluded that half bridge ac – dc converter along with digital linear controller meets the performance index of UPS for single and three phase systems.

Chikungunya Protease Domain–High Throughput Virtual Screening

Chikungunya virus (CHICKV) is an arboviruses belonging to family Tagoviridae and is transmitted to human through by mosquito (Aedes aegypti and Aedes albopictus) bite. A large outbreak of chikungunya has been reported in India between 2006 and 2007, along with several other countries from South-East Asia and for the first time in Europe. It was for the first time that the CHICKV outbreak has been reported with mortality from Reunion Island and increased mortality from Asian countries. CHICKV affects all age groups, and currently there are no specific drugs or vaccine to cure the disease. The need of antiviral agents for the treatment of CHICKV infection and the success of virtual screening against many therapeutically valuable targets led us to carry out the structure based drug design against Chikungunya nSP2 protease (PDB: 3TRK). Highthroughput virtual screening of publicly available databases, ZINC12 and BindingDB, has been carried out using the Openeye tools and Schrodinger LLC software packages. Openeye Filter program has been used to filter the database and the filtered outputs were docked using HTVS protocol implemented in GLIDE package of Schrodinger LLC. The top HITS were further used for enriching the similar molecules from the database through vROCS; a shape based screening protocol implemented in Openeye. The approach adopted has provided different scaffolds as HITS against CHICKV protease. Three scaffolds: Indole, Pyrazole and Sulphone derivatives were selected based on the docking score and synthetic feasibility. Derivatives of Pyrazole were synthesized and submitted for antiviral screening against CHICKV.

A Conceptual Query-Driven Design Framework for Data Warehouse

Data warehouse is a dedicated database used for querying and reporting. Queries in this environment show special characteristics such as multidimensionality and aggregation. Exploiting the nature of queries, in this paper we propose a query driven design framework. The proposed framework is general and allows a designer to generate a schema based on a set of queries.

Effect of Rotation Rate on Chemical Segragation during Phase Change

Numerical parametric study is conducted to study the effects of ampoule rotation on the flows and the dopant segregation in vertical bridgman (vb) crystal growth. Calculations were performed in unsteady state. The extended darcy model, which includes the time derivative and coriolis terms, has been employed in the momentum equation. It’s found that the convection, and dopant segregation can be affected significantly by ampoule rotation, and the effect is similar to that by an axial magnetic field. Ampoule rotation decreases the intensity of convection and stretches the flow cell axially. When the convection is weak, the flow can be suppressed almost completely by moderate ampoule rotation and the dopant segregation becomes diffusion-controlled. For stronger convection, the elongated flow cell by ampoule rotation may bring dopant mixing into the bulk melt reducing axial segregation at the early stage of the growth. However, if the cellular flow cannot be suppressed completely, ampoule rotation may induce larger radial segregation due to poor mixing.

Application of Remote Sensing in Development of Green Space

One of the most important parameters to develop and manage urban areas is appropriate selection of land surface to develop green spaces in these areas. In this study, in order to identify the most appropriate sites and areas cultivated for ornamental species in Jiroft, Landsat Enhanced Thematic Mapper Plus (ETM+) images due to extract the most important effective climatic and adaphic parameters for growth ornamental species were used. After geometric and atmospheric corrections applied, to enhance accuracy of multi spectral (XS) bands, the fusion of Landsat XS bands by IRS-1D panchromatic band (PAN) was performed. After field sampling to evaluate the correlation between different factors in surface soil sampling location and different bands digital number (DN) of ETM+ sensor on the same points, correlation tables formed using the best computational model and the map of physical and chemical parameters of soil was produced. Then the accuracy of them was investigated by using kappa coefficient. Finally, according to produced maps, the best areas for cultivation of recommended species were introduced.