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.

Corrosion Fatigue Crack Growth Studies in Ni-Cr-Mn Steel

This paper presents the results of corrosion fatigue crack growth behaviour of a Ni-Cr-Mn steel commonly used in marine applications. The effect of mechanical variables such as frequency and load ratio on fatigue crack growth rate at various stages has been studied using compact tension (C(T)) specimens along the rolling direction of steel plate under 3.5% saturated NaCl aqueous environment. The significance of crack closure on corrosion fatigue, and the validity of Elber-s empirical linear crack closure model with the ASTM compliance offset method have been examined. Fatigue crack growth rate is higher and threshold stress intensities are lower in aqueous environment compared to the lab air conditions. It is also observed that the crack growth rate increases at lower frequencies. The higher stress ratio promotes the crack growth. The effect of oxidization and corrosion pit formation is very less as the stress ratio is increased. It is observed that as stress ratios are increased, the Elber-s crack closure model agrees well with the crack closure estimated by the ASTM compliance offset method for tests conducted at 5Hz frequency compared to tests conducted at 1Hz in corrosive environment.

Dynamic Modeling of Underplateform Damper used in Turbomachinery

The present work deals with the structural analysis of turbine blades and modeling of turbine blades. A common failure mode for turbine machines is high cycle of fatigue of compressor and turbine blades due to high dynamic stresses caused by blade vibration and resonance within the operation range of the machinery. In this work, proper damping system will be analyzed to reduce the vibrating blade. The main focus of the work is the modeling of under platform damper to evaluate the dynamic analysis of turbine-blade vibrations. The system is analyzed using Bond graph technique. Bond graph is one of the most convenient ways to represent a system from the physical aspect in foreground. It has advantage of putting together multi-energy domains of a system in a single representation in a unified manner. The bond graph model of dry friction damper is simulated on SYMBOLS-shakti® software. In this work, the blades are modeled as Timoshenko beam. Blade Vibrations under different working conditions are being analyzed numerically.

Greek Compounds: A Challenging Case for the Parsing Techniques of PC-KIMMO v.2

In this paper we describe the recognition process of Greek compound words using the PC-KIMMO software. We try to show certain limitations of the system with respect to the principles of compound formation in Greek. Moreover, we discuss the computational processing of phenomena such as stress and syllabification which are indispensable for the analysis of such constructions and we try to propose linguistically-acceptable solutions within the particular system.

Fatigue Life Consumption for Turbine Blades-Vanes Accelerated by Erosion-Contour Modification

A new mechanism responsible for structural life consumption due to resonant fatigue in turbine blades, or vanes, is presented and explained. A rotating blade or vane in a gas turbine can change its contour due to erosion and/or material build up, in any of these instances, the surface pressure distribution occurring on the suction and pressure sides of blades-vanes can suffer substantial modification of their pressure and temperatures envelopes and flow characteristics. Meanwhile, the relative rotation between the blade and duct vane while the pressurized gas flows and the consequent wake crossings, will induce a fluctuating thrust force or lift that will excite the blade. An actual totally used up set of vane-blade components in a HP turbine power stage in a gas turbine is analyzed. The blade suffered some material erosion mostly at the trailing edge provoking a peculiar surface pressure envelope which evolved as the relative position between the vane and the blade passed in front of each other. Interestingly preliminary modal analysis for this eroded blade indicates several natural frequencies within the aeromechanic power spectrum, moreover, the highest frequency component is 94% of one natural frequency indicating near resonant condition. Independently of other simultaneously occurring fatigue cycles (such as thermal, centrifugal stresses).

Decreasing of Displacements of Prestressed Cable Truss

Suspended cable structures are most preferable for large spans covering due to rational use of structural materials, but the problem of suspended cable structures is initial shape change under the action of non-symmetrical load. The problem can be solved by increasing of relation of dead weight and imposed load, but this methods cause increasing of materials consumption.Prestressed cable truss usage is another way how the problem of shape change under the action of non-symmetrical load can be fixed. The better results can be achieved if we replace top chord with cable truss with cross web. Rational structure of the cable truss for prestressed cable truss top chord was developed using optimization realized in FEM program ANSYS 12 environment. Single cable and cable truss model work was discovered.Analytical and model testing results indicate, that usage of cable truss with the cross web as a top chord of prestressed cable truss instead of single cable allows to reduce total displacements by 13-16% in the case of non-symmetrical load. In case of uniformly distributed load single cable is preferable.

Effect of Friction Models on Stress Distribution of Sheet Materials during V-Bending Process

In a metal forming process, the friction between the material and the tools influences the process by modifying the stress distribution of the workpiece. This frictional behaviour is often taken into account by using a constant coefficient of friction in the finite element simulations of sheet metal forming processes. However, friction coefficient varies in time and space with many parameters. The Stribeck friction model is investigated in this study to predict springback behaviour of AA6061-T4 sheets during V-bending process. The coefficient of friction in Stribeck curve depends on sliding velocity and contact pressure. The plane-strain bending process is simulated in ABAQUS/Standard. We compared the computed punch load-stroke curves and springback related to the constant coefficient of friction with the defined friction model. The results clearly showed that the new friction model provides better agreement between experiments and results of numerical simulations. The influence of friction models on stress distribution in the workpiece is also studied numerically

A Study on Integrated Performance of Tap-Changing Transformer and SVC in Association with Power System Voltage Stability

Electricity market activities and a growing demand for electricity have led to heavily stressed power systems. This requires operation of the networks closer to their stability limits. Power system operation is affected by stability related problems, leading to unpredictable system behavior. Voltage stability refers to the ability of a power system to sustain appropriate voltage levels through large and small disturbances. Steady-state voltage stability is concerned with limits on the existence of steady-state operating points for the network. FACTS devices can be utilized to increase the transmission capacity, the stability margin and dynamic behavior or serve to ensure improved power quality. Their main capabilities are reactive power compensation, voltage control and power flow control. Among the FACTS controllers, Static Var Compensator (SVC) provides fast acting dynamic reactive compensation for voltage support during contingency events. In this paper, voltage stability assessment with appropriate representations of tap-changer transformers and SVC is investigated. Integrating both of these devices is the main topic of this paper. Effect of the presence of tap-changing transformers on static VAR compensator controller parameters and ratings necessary to stabilize load voltages at certain values are highlighted. The interrelation between transformer off nominal tap ratios and the SVC controller gains and droop slopes and the SVC rating are found. P-V curves are constructed to calculate loadability margins.

The Response of Winter Wheat to Flooding

The effect of flooding can be a serious problem for wheat farmers, even at dry land condition. Amount of flooding damage depends on duration flooding, developmental stage, wheat type and variety. Therefore as a factorial experiment in randomized complete design based on winter bread wheat cultivars (Pishtaz, Marvdasht, Shiraz, Zarin, Shahriar, C-81-4, Sardari, Agosta seed, FGS and Azar2) at stages (Non- flooding stress, flooding at tillering and stem elongation stages for 15 days) carried out in Faculty of Agriculture, Razi University, Kermanshah, Iran. During flooding, soil environment of plant roots were water saturated. Analysis of variance showed that flooding had a significant effect on the number of grains per spike, grain weight per spike and a grain weight. Hence flooding reduces the number of grain per spike between 27.1 to 42.5 percent, grain weight per spike between 34.7 to 54.4 percent and single grain weight between 12.1 to 15.1 percent. Effects of flooding at the tillering stage reduced higher than stem elongation stage on studied traits. The result also showed that flooding at tillering stage delayed spikelet primordial and floret. Between wheat cultivars was significant for traits, but were different reactions. "Shiraz", "Zarin" and "Shahriar" had the most no. grain per spike, but "Zarin" and "Sardari" had the most grain weight per spike and single grain weight, respectively. Also, interaction between start of flooding and cultivar was significant.

Stress versus Strain Behavior of Geopolymer Cement under Triaxial Stress Conditions in Saline and Normal Water

Geopolymer cement was evaluated as wellbore sealing material for carbon dioxide geosequestration application. Curing of cement system in saline water and strength testing in triaxial stress state condition under lateral confinement is relevant to primary cementing in CO2 geosequestration wellbore in saline aquifer. Geopolymer cement was cured in saline water (both at ambient conditions for 28 days and heated (60°C) conditions for 12 hours) and tested for triaxial strength at different levels of lateral confinement. Normal water and few other curing techniques were also studied both for geopolymer and API ‘G’ cement. Results reported were compared to evaluate the suitability of saline water for curing of geopolymer cement. Unconfined compression test results showed higher strength for curing in saline water than normal water. Besides, testing strength under lateral confinement demonstrated the material failure behavior from brittle to plastic.

Ductile Crack Growth in Surface Cracked Pressure Vessels

Pressure vessels are usually operating at temperatures where the conditions of linear elastic fracture mechanics are no longer met because massive plasticity precedes crack propagation. In this work the development of a surface crack in a pressure vessel subject to bending and tension under elastic-plastic fracture mechanics conditions was investigated. Finite element analysis was used to evaluate the hydrostatic stress, the J-integral and crack growth for semi-elliptical surface-breaking cracks. The results showed non-uniform stress triaxiality and crack driving force around the crack front at large deformation levels. Different ductile crack extensions were observed which emphasis the dependent of ductile tearing on crack geometry and type of loading. In bending the crack grew only beneath the surface, and growth was suppressed at the deepest segment. This contrasts to tension where the crack breaks through the thickness with uniform growth along the entire crack front except at the free surface. Current investigations showed that the crack growth developed under linear elastic fracture mechanics conditions will no longer be applicable under ductile tearing scenarios.

Factors of Vocational Identity for Social Welfare University Students in Japan

The study aimed to verify a hypothesis that a sense of fulfillment in student life and perceived stress in training in the facilities could affect vocational identity among social welfare university students, in order to acquire implications for enhancing the vocational consciousness. A questionnaire survey was conducted with 388 third- and fourth-year students of training course for certified social workers in three universities in A prefecture in Japan. The questionnaire was returned by 338 students, and 288 responses (85.2%) were valid and used for the analysis. As a SEM result, the hypothesized model proved to be fit to the data. Path coefficient of sense of fulfillment of student life to vocational identity was statistically positive. Path coefficient of training stress to vocational identity was statistically negative.

Bias Stability of a-IGZO TFT and a new Shift-Register Design Suitable for a-IGZO TFT

We have fabricated a-IGZO TFT and investigated the stability under positive DC and AC bias stress. The threshold voltage of a-IGZO TFT shifts positively under those biases, and that reduces on-current. For this reason, conventional shift-register circuit employing TFTs which stressed by positive bias will be unstable, may do not work properly. We have designed a new 6-transistor shift-register, which has less transistors than prior circuits. The TFTs of the proposed shift-register are not suffering from positive DC or AC stress, mainly kept unbiased. Despite the compact design, the stable output signal was verified through the SPICE simulation even under RC delay of clock signal.

Mechanical and Chemical Reliability Assessment of Silica Optical Fibres

The current study has investigated the ageing phenomena of silica optical fibres in relation to water activity which might be accelerated when exposed to a supplementary energy, such as microwaves. A controlled stress by winding fibres onto accurate diameter mandrel was applied. Taking into account that normally a decrease in fibre strength is induced in time by chemical action of water, the effects of cumulative reagents such as: water, applied stress and supplementary energy (microwave) in some cases acted in the opposite manner. The microwave effect as a structural relaxation catalyst appears unexpected, even if the overall gain in fibre strength is not high, but the stress corrosion factor revealed significant increase in certain simulation conditions.

Ameliorative Effect of Calocybe indica, a Tropical Indian Edible Mushroom on Hyperglycemia Induced Oxidative Stress

Mushrooms are a group of fleshy macroscopic fungi. They have been valued throughout the world as both edible and medicine. They are highly nutritious with good amount of quality proteins, vitamins and minerals. An edible mushroom, Calocybe indica was selected to validate its nutritional and medicinal properties. Since tissue damage in hyperglycemia has been related to oxidative stress, we evaluated the enzymatic and non-enzymatic antioxidant status in the serum, liver and kidney since they are the target organs in diabetic complications. From the results, increased oxidative stress and decreased antioxidants might be related to the causation of diabetes mellitus. The treatment in the diabetic rats with the Calocybe indica showed an increase in the antioxidant system and decrease in the production of free radicals. The mushrooms which contain antioxidant phytochemicals has potential free radical scavenging capacity and hence can induce the antioxidant system in the body significantly reduces the generated free radicals thereby maintaining the normal levels of the antioxidants

Analytical Modelling of Average Bond Stress within the Anchorage of Tensile Reinforcing Bars in Reinforced Concrete Members

A reliable estimate of the average bond stress within the anchorage of steel reinforcing bars in tension is critically important for the design of reinforced concrete member. This paper describes part of a recently completed experimental research program in the Centre for Infrastructure Engineering and Safety (CIES) at the University of New South Wales, Sydney, Australia aimed at assessing the effects of different factors on the anchorage requirements of modern high strength steel reinforcing bars. The study found that an increase in the anchorage length and bar diameter generally leads to a reduction of the average ultimate bond stress. By the extension of a well established analytical model of bond and anchorage, it is shown here that the differences in the average ultimate bond stress for different anchorage lengths is associated with the variable degree of plastic deformation in the tensile zone of the concrete surrounding the bar.

Comparative Analysis and Evaluation of Software Vulnerabilities Testing Techniques

Software and applications are subjected to serious and damaging security threats, these threats are increasing as a result of increased number of potential vulnerabilities. Security testing is an indispensable process to validate software security requirements and to identify security related vulnerabilities. In this paper we analyze and compare different available vulnerabilities testing techniques based on a pre defined criteria using analytical hierarchy process (AHP). We have selected five testing techniques which includes Source code analysis, Fault code injection, Robustness, Stress and Penetration testing techniques. These testing techniques have been evaluated against five criteria which include cost, thoroughness, Ease of use, effectiveness and efficiency. The outcome of the study is helpful for researchers, testers and developers to understand effectiveness of each technique in its respective domain. Also the study helps to compare the inner working of testing techniques against a selected criterion to achieve optimum testing results.

Effects of Combined Stimulation on the Autonomic Nervous System: A Pilot Study

The autonomic nervous system has a regulatory structure that helps people adapt to changes in their environment by adjusting or modifying some functions in response to stress, and regulating involuntary function of human organs. The purpose of this study was to investigate the effect of combined stimulation, both far-infrared heating and chiropractic, on the autonomic nervous system activities using thermal image and heart rate variability. Six healthy subjects participated in this test. We compared the before and after autonomic nervous system activities through obtaining thermal image and photoplethysmogram signal. The thermal images showed that the combined stimulation changed subject-s body temperature more highly and widely than before. The result of heart rate variability indicated that LF/HF ratio decreased. We concluded that combined stimulation activates autonomic nervous system, and expected other possibilities of this combined stimulation.

Effect of Shell Dimensions on Buckling Behavior and Entropy Generation of Thin Welded Shells

Among all mechanical joining processes, welding has been employed for its advantage in design flexibility, cost saving, reduced overall weight and enhanced structural performance. However, for structures made of relatively thin components, welding can introduce significant buckling distortion which causes loss of dimensional control, structural integrity and increased fabrication costs. Different parameters can affect buckling behavior of welded thin structures such as, heat input, welding sequence, dimension of structure. In this work, a 3-D thermo elastic-viscoplastic finite element analysis technique is applied to evaluate the effect of shell dimensions on buckling behavior and entropy generation of welded thin shells. Also, in the present work, the approximated longitudinal transient stresses which produced in each time step, is applied to the 3D-eigenvalue analysis to ratify predicted buckling time and corresponding eigenmode. Besides, the possibility of buckling prediction by entropy generation at each time is investigated and it is found that one can predict time of buckling with drawing entropy generation versus out of plane deformation. The results of finite element analysis show that the length, span and thickness of welded thin shells affect the number of local buckling, mode shape of global buckling and post-buckling behavior of welded thin shells.

Numerical Simulation of Restenosis in a Stented Coronary Artery

Nowadays, cardiac disease is one of the most common cause of death. Each year almost one million of angioplasty interventions and stents implantations are made all over the world. Unfortunately, in 20-30% of cases neointimal proliferations leads to restenosis occurring within the following period of 3-6 months. Three major factors are believed to contribute mostly to the edge restenosis: (a) mechanical damage of the artery-s wall caused by the stent implantation, (b) interaction between the stent and the blood constituents and (c) endothelial growth stimulation by small (lower that 1.5 Pa) and oscillating wall shear stress. Assuming that this last actor is particularly important, a numerical model of restenosis basing on wall shear stress distribution in the stented artery was elaborated. A numerical simulations of the development of in-stent restenosis have been performed and realistic geometric patterns of a progressing lumen reduction have been obtained