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.

Effect of Co3O4 Nanoparticles Addition on (Bi,Pb)-2223 Superconductor

The effect of nano Co3O4 addition on the superconducting properties of (Bi, Pb)-2223 system was studied. The samples were prepared by the acetate coprecipitation method. The Co3O4 with different sizes (10-30 nm and 30-50 nm) from x=0.00 to 0.05 was added to Bi1.6Pb0.4Sr2Ca2Cu3Oy(Co3O4)x. Phase analysis by XRD method, microstructural examination by SEM and dc electrical resistivity by four point probe method were done to characterize the samples. The X-ray diffraction patterns of all the samples indicated the majority Bi-2223 phase along with minor Bi-2212 and Bi-2201 phases. The volume fraction was estimated from the intensities of Bi- 2223, Bi-2212 and Bi-2201 phase. The sample with x=0.01 wt% of the added Co3O4 (10-30 nm size) showed the highest volume fraction of Bi-2223 phase (72%) and the highest superconducting transition temperature, Tc (~102 K). The non-added sample showed the highest Tc(~103 K) compared to added samples with nano Co3O4 (30-50 nm size) added samples. Both the onset critical temperature Tc(onset) and zero electrical resistivity temperature Tc(R=0) were in the range of 103-115 ±1K and 91-103 ±1K respectively for samples with added Co3O4 (10-30 nm and 30-50 nm).

Optimized Data Fusion in an Intelligent Integrated GPS/INS System Using Genetic Algorithm

Most integrated inertial navigation systems (INS) and global positioning systems (GPS) have been implemented using the Kalman filtering technique with its drawbacks related to the need for predefined INS error model and observability of at least four satellites. Most recently, a method using a hybrid-adaptive network based fuzzy inference system (ANFIS) has been proposed which is trained during the availability of GPS signal to map the error between the GPS and the INS. Then it will be used to predict the error of the INS position components during GPS signal blockage. This paper introduces a genetic optimization algorithm that is used to update the ANFIS parameters with respect to the INS/GPS error function used as the objective function to be minimized. The results demonstrate the advantages of the genetically optimized ANFIS for INS/GPS integration in comparison with conventional ANFIS specially in the cases of satellites- outages. Coping with this problem plays an important role in assessment of the fusion approach in land navigation.

Biodiversity of Micromycetes Isolated from Soils of Different Agricultures in Kazakhstan and Their Plant Growth Promoting Potential

The comparative analysis of different taxonomic groups of microorganisms isolated from dark chernozem soils under different agricultures (alfalfa, melilot, sainfoin, soybean, rapeseed) at Almaty region of Kazakhstan was conducted. It was shown that the greatest number of micromycetes was typical to the soil planted with alfalfa and canola. Species diversity of micromycetes markedly decreases as it approaches the surface of the root, so that the species composition in the rhizosphere is much more uniform than in the virgin soil. Promising strains of microscopic fungi and yeast with plant growth-promoting activity to agricultures were selected. Among the selected fungi there are representatives of Penicillium bilaiae, Trichoderma koningii, Fusarium equiseti, Aspergillus ustus. The highest rates of growth and development of seedlings of plants observed under the influence of yeasts Aureobasidium pullulans, Rhodotorula mucilaginosa, Metschnikovia pulcherrima. Using molecular - genetic techniques confirmation of the identification results of selected micromycetes was conducted.

Constraint Based Frequent Pattern Mining Technique for Solving GCS Problem

Generalized Center String (GCS) problem are generalized from Common Approximate Substring problem and Common substring problems. GCS are known to be NP-hard allowing the problems lies in the explosion of potential candidates. Finding longest center string without concerning the sequence that may not contain any motifs is not known in advance in any particular biological gene process. GCS solved by frequent pattern-mining techniques and known to be fixed parameter tractable based on the fixed input sequence length and symbol set size. Efficient method known as Bpriori algorithms can solve GCS with reasonable time/space complexities. Bpriori 2 and Bpriori 3-2 algorithm are been proposed of any length and any positions of all their instances in input sequences. In this paper, we reduced the time/space complexity of Bpriori algorithm by Constrained Based Frequent Pattern mining (CBFP) technique which integrates the idea of Constraint Based Mining and FP-tree mining. CBFP mining technique solves the GCS problem works for all center string of any length, but also for the positions of all their mutated copies of input sequence. CBFP mining technique construct TRIE like with FP tree to represent the mutated copies of center string of any length, along with constraints to restraint growth of the consensus tree. The complexity analysis for Constrained Based FP mining technique and Bpriori algorithm is done based on the worst case and average case approach. Algorithm's correctness compared with the Bpriori algorithm using artificial data is shown.

Efficient Preparation and Characterization of Carbohydrate Based Monomers. D-mannose Derivatives

The field of polymeric biomaterials is very important from the socio-economical viewpoint. Synthetic carbohydrate polymers are being increasingly investigated as biodegradable, biocompatible and biorenewable materials. The aim of this study was to synthesize and characterize some derivatives based on D-mannose. D-mannose was chemically modified to obtain 1-O-allyl-2,3:5,6-di- O-isopropylidene-D-mannofuranose and 1-O-(2-,3--epoxy-propyl)- 2,3:5,6-di-O-isopropylidene-D-mannofuranose. The chemical structure of the resulting compounds was characterized by FT-IR and NMR spectroscopy, and by HPLC-MS.

Systematic Study of the p, d and 3He Elastic Scattering on 6Li

the elastic scattering of protons, deuterons and 3He on 6Li at different incident energies have been analyzed in the framework of the optical model using ECIS88 as well as SPI GENOA codes. The potential parameters were extracted in the phenomenological treatment of measured by us angular distributions and literature data. A good agreement between theoretical and experimental differential cross sections was obtained in whole angular range. Parameters for real part of potential have been also calculated microscopically with singleand double-folding model for the p and d, 3He scattering, respectively, using DFPOT code. For best agreement with experiment the normalization factor N for the potential depth is obtained in the range of 0.7-0.9.

Identification of Flexographic-printed Newspapers with NIR Spectral Imaging

Near-infrared (NIR) spectroscopy is a widely used method for material identification for laboratory and industrial applications. While standard spectrometers only allow measurements at one sampling point at a time, NIR Spectral Imaging techniques can measure, in real-time, both the size and shape of an object as well as identify the material the object is made of. The online classification and sorting of recovered paper with NIR Spectral Imaging (SI) is used with success in the paper recycling industry throughout Europe. Recently, the globalisation of the recycling material streams caused that water-based flexographic-printed newspapers mainly from UK and Italy appear also in central Europe. These flexo-printed newspapers are not sufficiently de-inkable with the standard de-inking process originally developed for offset-printed paper. This de-inking process removes the ink from recovered paper and is the fundamental processing step to produce high-quality paper from recovered paper. Thus, the flexo-printed newspapers are a growing problem for the recycling industry as they reduce the quality of the produced paper if their amount exceeds a certain limit within the recovered paper material. This paper presents the results of a research project for the development of an automated entry inspection system for recovered paper that was jointly conducted by CTR AG (Austria) and PTS Papiertechnische Stiftung (Germany). Within the project an NIR SI prototype for the identification of flexo-printed newspaper has been developed. The prototype can identify and sort out flexoprinted newspapers in real-time and achieves a detection accuracy for flexo-printed newspaper of over 95%. NIR SI, the technology the prototype is based on, allows the development of inspection systems for incoming goods in a paper production facility as well as industrial sorting systems for recovered paper in the recycling industry in the near future.

Optical Limiting Characteristics of Core-Shell Nanoparticles

TiO2 nanoparticles were synthesized by hydrothermal method at 180°C from TiOSO4 aqueous solution with1m/l concentration. The obtained products were coated with silica by means of a seeded polymerization technique for a coating time of 1440 minutes to obtain well defined TiO2@SiO2 core-shell structure. The uncoated and coated nanoparticles were characterized by using X-Ray diffraction technique (XRD), Fourier Transform Infrared Spectroscopy (FT-IR) to study their physico-chemical properties. Evidence from XRD and FTIR results show that SiO2 is homogenously coated on the surface of titania particles. FTIR spectra show that there exists an interaction between TiO2 and SiO2 and results in the formation of Ti-O-Si chemical bonds at the interface of TiO2 particles and SiO2 coating layer. The non linear optical limiting properties of TiO2 and TiO2@SiO2 nanoparticles dispersed in ethylene glycol were studied at 532nm using 5ns Nd:YAG laser pulses. Three-photon absorption is responsible for optical limiting characteristics in these nanoparticles and it is seen that the optical nonlinearity is enhanced in core-shell structures when compared with single counterparts. This effective three-photon type absorption at this wavelength, is of potential application in fabricating optical limiting devices.

Sequential Straightforward Clustering for Local Image Block Matching

Duplicated region detection is a technical method to expose copy-paste forgeries on digital images. Copy-paste is one of the common types of forgeries to clone portion of an image in order to conceal or duplicate special object. In this type of forgery detection, extracting robust block feature and also high time complexity of matching step are two main open problems. This paper concentrates on computational time and proposes a local block matching algorithm based on block clustering to enhance time complexity. Time complexity of the proposed algorithm is formulated and effects of two parameter, block size and number of cluster, on efficiency of this algorithm are considered. The experimental results and mathematical analysis demonstrate this algorithm is more costeffective than lexicographically algorithms in time complexity issue when the image is complex.

Factors Influencing Environmental Management Practices Among Hotels in Malaysia

This paper attempts to investigate the factors that influence hotel managers- attitudes towards sustainable tourism practices (STP) in Kuala Lumpur and the state of Selangor in Malaysia. The study distributes 104 questionnaires to hotels ranging from one star to five-star categories including budget hotels. Out of this figure, 60 copies of the questionnaires were returned and analyzed. The finding revealed that of all the seven factors investigated, only the variables measuring incentives and knowledge have significantly influenced sustainable tourism practices in the country. Therefore, government and other green bodies within the country should continue to provide hotels with incentives for sound technologies. Moreover, the government agencies should continue to educate hoteliers on the relevance of environmental protection for the successful implementation of sustainable tourism practices.

Determination of Cu and Mo Potential Targets in the Khatunabad Based on Analytical Hierarchy Process, West of Mianeh, Iran

Khatunabad area is situated geologically in Urmieh- Dokhtar magmatic belt in NW of Iran. In this research, studied area has been investigated in order to recognize the potential copper and molybdenum-bearing target areas. The survey layers include the lithologic units, alteration, geochemical result, tectonics and copper and molybdenum occurrence. As an accurate decision can have a considerable effect on exploration plans, so in this efforts have been made to make use of new combination method. For this purpose, the analytical hierarchy process was used and revealed highly potential copper and molybdenum mineralization areas. Based on achieved results, geological perspective in north of studied area is appropriate for advance stage, especially for subsurface exploration in future.

Design of Tracking Controllers for Medical Equipment Holders Using AHRS and MEMS Sensors

There are various kinds of medical equipment which requires relatively accurate positional adjustments for successful treatment. However, patients tend to move without notice during a certain span of operations. Therefore, it is common practice that accompanying operators adjust the focus of the equipment. In this paper, tracking controllers for medical equipment are suggested to replace the operators. The tracking controllers use AHRS sensor information to recognize the movements of patients. Sensor fusion is applied to reducing the error magnitudes through linear Kalman filters. The image processing of optical markers is included to adjust the accumulation errors of gyroscope sensor data especially for yaw angles. The tracking controller reduces the positional errors between the current focus of a device and the target position on the body of a patient. Since the sensing frequencies of AHRS sensors are very high compared to the physical movements, the control performance is satisfactory. The typical applications are, for example, ESWT or rTMS, which have the error ranges of a few centimeters.

Bandwidth, Area Efficient and Target Device Independent DDR SDRAM Controller

The application of the synchronous dynamic random access memory (SDRAM) has gone beyond the scope of personal computers for quite a long time. It comes into hand whenever a big amount of low price and still high speed memory is needed. Most of the newly developed stand alone embedded devices in the field of image, video and sound processing take more and more use of it. The big amount of low price memory has its trade off – the speed. In order to take use of the full potential of the memory, an efficient controller is needed. Efficient stands for maximum random accesses to the memory both for reading and writing and less area after implementation. This paper proposes a target device independent DDR SDRAM pipelined controller and provides performance comparison with available solutions.

Analysis of Polymer Surface Modifications due to Discharges Initiated by Water Droplets under High Electric Fields

This paper investigates the influence of various parameters on the behaviour of water droplets on polymeric surfaces under high electric fields. An inclined plane test was carried out to understand the droplet behaviour in strong electric field. Parameters such as water droplet conductivity, droplet volume, polymeric surface roughness and droplet positioning with respect to the electrodes were studied. The flashover voltage is affected by all aforementioned parameters. The droplet positioning is in some cases more vital than the droplet volume. Surface damages were analysed using Scanning Electron Microscopy (SEM) studies and by Energy dispersive X-ray Analysis (EDAX). It is observes that magnitude of discharge have direct influence on amount of surface da

Multichannel Image Mosaicing of Stem Cells

Image mosaicing techniques are usually employed to offer researchers a wider field of view of microscopic image of biological samples. a mosaic is commonly achieved using automated microscopes and often with one “color" channel, whether it refers to natural or fluorescent analysis. In this work we present a method to achieve three subsequent mosaics of the same part of a stem cell culture analyzed in phase contrast and in fluorescence, with a common non-automated inverted microscope. The mosaics obtained are then merged together to mark, in the original contrast phase images, nuclei and cytoplasm of the cells referring to a mosaic of the culture, rather than to single images. The experiments carried out prove the effectiveness of our approach with cultures of cells stained with calcein (green/cytoplasm and nuclei) and hoechst (blue/nuclei) probes.

Proffering a Brand New Methodology to Resource Discovery in Grid based on Economic Criteria Using Learning Automata

Resource discovery is one of the chief services of a grid. A new approach to discover the provenances in grid through learning automata has been propounded in this article. The objective of the aforementioned resource-discovery service is to select the resource based upon the user-s applications and the mercantile yardsticks that is to say opting for an originator which can accomplish the user-s tasks in the most economic manner. This novel service is submitted in two phases. We proffered an applicationbased categorization by means of an intelligent nerve-prone plexus. The user in question sets his or her application as the input vector of the nerve-prone nexus. The output vector of the aforesaid network limns the appropriateness of any one of the resource for the presented executive procedure. The most scrimping option out of those put forward in the previous stage which can be coped with to fulfill the task in question is picked out. Te resource choice is carried out by means of the presented algorithm based upon the learning automata.

Effect of L-Arginine on Neuromuscular Transmission of the Chick Biventer Cervicis Muscle

In this study, the effect of L-arginine was examined at the neuromuscular junction of the chick biventer cervicis muscle. LArginine at 500 μg/ ml, decreased twitch response to electerical stimulation, and produced rightward shift of the dose- response curve for acetylcholine or carbachol. L-Arginine at 1000μg/ ml produced a strong shift to the right of the dose – response curve for acetylcholine or carbachol with a reduction in the efficacy. The inhibitory effect of L-arginine on the twitch response was blocked by caffeine (200μg/ ml). NO levels were also measured in the chick biventer cervicis muscle homogenates, using spectrophotometric method for the direct detection of NO, nitrite and nitrate. Total nitrite (nitrite + nitrate) was measured by a spectrophotometer at 540 nm after the conversion of nitrate to nitrite by copperized cadmium granules. NO levels were found to be significantly increased in concentrations 500 and 1000μg/ ml of L-arginine in comparison with the control group (p

Structural and Optical Properties ofInxAlyGa1-x-yN Quaternary Alloys

Quaternary InxAlyGa1-x-yN semiconductors have attracted much research interest because the use of this quaternary offer the great flexibility in tailoring their band gap profile while maintaining their lattice-matching and structural integrity. The structural and optical properties of InxAlyGa1-x-yN alloys grown by molecular beam epitaxy (MBE) is presented. The structural quality of InxAlyGa1-x-yN layers was characterized using high-resolution X-ray diffraction (HRXRD). The results confirm that the InxAlyGa1-x-yN films had wurtzite structure and without phase separation. As the In composition increases, the Bragg angle of the (0002) InxAlyGa1-x-yN peak gradually decreases, indicating the increase in the lattice constant c of the alloys. FWHM of (0002) InxAlyGa1-x-yN decreases with increasing In composition from 0 to 0.04, that could indicate the decrease of quality of the samples due to point defects leading to non-uniformity of the epilayers. UV-VIS spectroscopy have been used to study the energy band gap of InxAlyGa1-x-yN. As the indium (In) compositions increases, the energy band gap decreases. However, for InxAlyGa1-x-yN with In composition of 0.1, the band gap shows a sudden increase in energy. This is probably due to local alloy compositional fluctuations in the epilayer. The bowing parameter which appears also to be very sensitive on In content is investigated and obtained b = 50.08 for quaternary InxAlyGa1-x-yN alloys. From photoluminescence (PL) measurement, green luminescence (GL) appears at PL spectrum of InxAlyGa1-x-yN, emitted for all x at ~530 nm and it become more pronounced as the In composition (x) increased, which is believed cause by gallium vacancies and related to isolated native defects.

Tomato Ripeness Influence on Fruit Quality

Tomato nutrition value, color, flavor of their fruits and products depends mainly on lycopene, β-carotene, ascorbic acid, sugars and their ratio. The two most important carotenoids in fruits of tomato are lycopene, which determined fruits red color, and β- carotene, which accounts for approximately 7% of the tomato carotenoids. Therefore, tomato products and their quality can be well characterized by the content of these elements.Maturity at harvest is very important to composition and quality of tomatoes. This is especially a problem with tomatoes picked green since it is difficult to differentiate between mature and immature-green fruits. Typical and advanced mature-green tomatoes will usually attain a much better flavor than those picked at the immature or partially mature stages.To better understand the synthesis of biochemical compounds, their concentration should be compared not only at the last stage of maturity, but also during all fruit ripening period in different varieties.