Discovery of novel glitazones incorporated with phenylalanine and tyrosine: Synthesis, antidiabetic activity and structure-activity relationships

We report a series of new glitazones incorporated with phenylalanine and tyrosine. All the compounds were tested for their in vitro glucose uptake activity using rat-hemidiaphragm, both in presence and absence of insulin. Six of the most active compounds from the in vitro screening were taken forward for their in vivo triglyceride and glucose lowering activity against dexamethazone induced hyperlipidemia and insulin resistance in Wistar rats. The liver samples of rats that received the most active compounds, 23 and 24, in the in vivo studies, were subjected to histopathological examination to assess their short term hepatotoxicity. The investigations on the in vitro glucose uptake, in vivo triglyceride and glucose lowering activity are described here along with the quantitative structure-activity relationships. (C) 2012 Elsevier Inc. All rights reserved.

Novel low-temperature growth of SnO2 nanowires and their gas-sensing properties

A simple thermal evaporation method is presented for the growth of crystalline SnO2 nanowires at a low substrate temperature of 450 degrees C via an gold-assisted vapor-liquid-solid mechanism. The as-grown nanowires were characterized by scanning electron microscopy, transmission electron microscopy and X-ray diffraction, and were also tested for methanol vapor sensing. Transmission electron microscopy studies revealed the single-crystalline nature of the each nanowire. The fabricated sensor shows good response to methanol vapor at an operating temperature of 450 degrees C. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

High-temperature, high-pressure granulites (retrogressed eclogites) in the central region of the Lewisian, NW Scotland: Crustal-scale subduction in the Neoarchaean

Eclogites and associated high-pressure (HP) rocks in collisional and accretionary orogenic belts preserve a record of subduction and exhumation, and provide a key constraint on the tectonic evolution of the continents. Most eclogites that formed at high pressures but low temperatures at > 10-11 kbar and 450-650 degrees C can be interpreted as a result of subduction of cold oceanic lithosphere. A new class of high-temperature (HT) eclogites that formed above 900 degrees C and at 14 to 30 kbar occurs in the deep continental crust, but their geodynamic significance and processes of formation are poorly understood. Here we show that Neoarchaean mafic-ultramafic complexes in the central granulite facies region of the Lewisian in NW Scotland contain HP/HT garnet-bearing granulites (retrogressed eclogites), gabbros, Iherzolites, and websterites, and that the HP granulites have garnets that contain inclusions of omphacite. From thermodynamic modeling and compositional isopleths we calculate that peak eclogite-facies metamorphism took place at 24-22 kbar and 1060-1040 degrees C. The geochemical signature of one (G-21) of the samples shows a strong depletion of Eu indicating magma fractionation at a crustal level. The Sm-Nd isochron ages of HP phases record different cooling ages of ca. 2480 and 2330 Ma. We suggest that the layered mafic-ultramafic complexes, which may have formed in an oceanic environment, were subducted to eclogite depths, and exhumed as HP garnet-bearing orogenic peridotites. The layered complexes were engulfed by widespread orthogneisses of tonalite-trondhjemite-granodiorite (TTG) composition with granulite facies assemblages. We propose two possible tectonic models: (1) the fact that the relicts of eclogitic complexes are so widespread in the Scourian can be taken as evidence that a >90 km x 40 km-size slab of continental crust containing mafic-ultramafic complexes was subducted to at least 70 km depth in the late Archaean. During exhumation the gneiss protoliths were retrogressed to granulite facies assemblages, but the mafic-ultramafic rocks resisted retrogression. (2) The layered complexes of mafic and ultramafic rocks were subducted to eclogite-facies depths and during exhumation under crustal conditions they were intruded by the orthogneiss protoliths (TTG) that were metamorphosed in the granulite facies. Apart from poorly defined UHP metamorphic rocks in Norway, the retrogressed eclogites in the central granulite/retrogressed eclogite facies Lewisian region, NW Scotland have the highest crustal pressures so far reported for Archaean rocks, and demonstrate that lithospheric subduction was transporting crustal rocks to HP depths in the Neoarchaean. (C) 2012 International Association for Gondwana Research. Published by Elsevier B.V. All rights reserved.

Modeling of agglomeration inside a droplet with nanosuspensions in an acoustic field

This short communication reports results of particle agglomeration details of an acoustically levitated nanosilica droplet. The droplet undergoes thermo-physical and morphological changes under external heating load (convective or radiative) forming different solid structures due to particle agglomeration. We report an agglomeration model based on population balance approach coupled with species and energy conservation equations in the liquid phase and compare it with the experimentally observed structure formations using high speed photography. The analysis is able to predict similar spherical bowl shaped morphologies as observed experimentally using scanning electron microscopy and laser induced fluorescence. (C) 2012 Elsevier Ltd. All rights reserved.

Interaction between a notch and cylindrical voids in aluminum single crystals: Experimental observations and numerical simulations

A combined 3D finite element simulation and experimental study of interaction between a notch and cylindrical voids ahead of it in single edge notch (tension) aluminum single crystal specimens is undertaken in this work. Two lattice orientations are considered in which the notch front is parallel to the crystallographic 10 (1) over bar] direction. The flat surface of the notch coincides with the (010) plane in one orientation and with the (1 (1) over bar1) plane in the other. Three equally spaced cylindrical voids are placed directly ahead of the notch tip. The predicted load-displacement curves, slip traces, lattice rotation and void growth from the finite element analysis are found to be in good agreement with the experimental observations for both the orientations. Finite element results show considerable through-thickness variation in both hydrostatic stress and equivalent plastic slip which, however, depends additionally on the lattice orientation. The through-thickness variation in the above quantities affects the void growth rate and causes it to differ from the center-plane to the free surface of the specimen. (c) 2012 Elsevier Ltd. All rights reserved.

Time variant reliability model updating in instrumented dynamical systems based on Girsanov's transformation

The problem of updating the reliability of instrumented structures based on measured response under random dynamic loading is considered. A solution strategy within the framework of Monte Carlo simulation based dynamic state estimation method and Girsanov's transformation for variance reduction is developed. For linear Gaussian state space models, the solution is developed based on continuous version of the Kalman filter, while, for non-linear and (or) non-Gaussian state space models, bootstrap particle filters are adopted. The controls to implement the Girsanov transformation are developed by solving a constrained non-linear optimization problem. Numerical illustrations include studies on a multi degree of freedom linear system and non-linear systems with geometric and (or) hereditary non-linearities and non-stationary random excitations.

Superparamagnetic behaviour and T-1, T-2 relaxivity of ZnFe2O4 nanoparticles for magnetic resonance imaging

In the present study, ZnFe2O4 nanoparticles were synthesized by the chemical co-precipitation followed by calcinations at 473 and 673K for 4h. Particle sizes obtained were 4 and 6nm for the calcination temperatures of 473 and 673K, respectively. To study the origin of system's low temperature spin dynamic behaviour, temperature dependence of susceptibility was investigated as a function of particle size and frequency. Slight increase in the grain size from 4nm at 473K to 6nm at 673K has led to a peak shift of temperature dependence of susceptibility measured at a constant frequency of 400Hz. Temperature dependence of at different frequencies also resulted in peak shift. Relaxation time dependence of peak temperature obeys a power law, which provides the fitting parameters within the range of superparamagnetic nature of the particles. Further, dependence of relaxation time and peak temperature obeys VogelFulcher law rather than NeelBrown equation demonstrating that the particles follow the behaviour of superparamagnetism of slightly interacting system. Spinlattice, T-1 and spinspin, T-2 relaxivity of proton of the water molecule in the presence of chitosan-coated superparamagnetic ZnFe2O4 nanoparticle yields the values of 0.002 and 0.360s(1)perppm.

Nanostructured GdxZn1-xO thin films by nebulizer spray pyrolysis technique: Role of doping concentration on the structural and optical properties

Nanostructured GdxZn1-xO thin films with different Gd concentration from 0% to 10% deposited at 400 degrees C using the NSF technique. The films were characterized by structural, surface and optical properties, respectively. X-ray diffraction analysis shows that the Gd doped ZnO films have lattice parameters a = 3.2497 angstrom and c = 5.2018 angstrom with hexagonal structure and preferential orientation along (002) plane. The estimated values compare well with the standard values. When film thickness increases from 222 to 240 nm a high visible region transmittance (>70%) is observed. The optical band gap energy, optical constants (n and k), complex dielectric constants (epsilon(r), and epsilon(i)) and optical conductivities (sigma(r), and sigma(i)) were calculated from optical transmittance data. The optical band gap energy is 3.2 eV for pure ZnO film and 3.6 eV for Gd0.1Zn0.9-O film. The PL studies confirm the presence of a strong UV emission peak at 399 nm. Besides, the UV emission of ZnO films decreases with the increase of Gd doping concentration correspondingly the ultra-violet emission is replaced by blue and green emissions.

Efficient asynchronous executions of AMR computations and visualization on a GPU system

Adaptive Mesh Refinement is a method which dynamically varies the spatio-temporal resolution of localized mesh regions in numerical simulations, based on the strength of the solution features. In-situ visualization plays an important role for analyzing the time evolving characteristics of the domain structures. Continuous visualization of the output data for various timesteps results in a better study of the underlying domain and the model used for simulating the domain. In this paper, we develop strategies for continuous online visualization of time evolving data for AMR applications executed on GPUs. We reorder the meshes for computations on the GPU based on the users input related to the subdomain that he wants to visualize. This makes the data available for visualization at a faster rate. We then perform asynchronous executions of the visualization steps and fix-up operations on the CPUs while the GPU advances the solution. By performing experiments on Tesla S1070 and Fermi C2070 clusters, we found that our strategies result in 60% improvement in response time and 16% improvement in the rate of visualization of frames over the existing strategy of performing fix-ups and visualization at the end of the timesteps.

Dynamics of the Indian-Ocean oxygen minimum zones

In the Indian Ocean, mid-depth oxygen minimum zones (OMZs) occur in the Arabian Sea and the Bay of Bengal. The lower part of the Arabian-Sea OMZ (ASOMZ; below 400 m) intensifies northward across the basin; in contrast, its upper part (above 400 m) is located in the central/eastern basin, well east of the most productive regions along the western boundary. The Bay-of-Bengal OMZ (BBOMZ), although strong, is weaker than the ASOMZ. To investigate the processes that maintain the Indian-Ocean OMZs, we obtain a suite of solutions to a coupled biological/physical model. Its physical component is a variable-density, 6 1/2-layer model, in which each layer corresponds to a distinct dynamical regime or water-mass type. Its biological component has six compartments: nutrients, phytoplankton, zooplankton, two size classes of detritus, and oxygen. Because the model grid is non-eddy resolving (0.5 degrees), the biological model also includes a parameterization of enhanced mixing based on the eddy kinetic energy derived from satellite observations. To explore further the impact of local processes on OMZs, we also obtain analytic solutions to a one-dimensional, simplified version of the biological model. Our control run is able to simulate basic features of the oxygen, nutrient, and phytoplankton fields throughout the Indian Ocean. The model OMZs result from a balance, or lack thereof, between a sink of oxygen by remineralization and subsurface oxygen sources due primarily to northward spreading of oxygenated water from the Southern Hemisphere, with a contribution from Persian-Gulf water in the northern Arabian Sea. The northward intensification of the lower ASOMZ results mostly from horizontal mixing since advection is weak in its depth range. The eastward shift of the upper ASOMZ is due primarily to enhanced advection and vertical eddy mixing in the western Arabian Sea, which spread oxygenated waters both horizontally and vertically. Advection carries small detritus from the western boundary into the central/eastern Arabian Sea, where it provides an additional source of remineralization that drives the ASOMZ to suboxic levels. The model BBOMZ is weaker than the ASOMZ because the Bay lacks a remote source of detritus from the western boundary. Although detritus has a prominent annual cycle, the model OMZs do not because there is not enough time for significant remineralization to occur.

Interstitial Defects Induced Ferroelectricity in Undoped ZnO Nanorods at Room Temperature

A simple approach for obtaining room temperature ferroelectricity in ZnO rod structures at the nanoscale is reported. A systematic comparative study between two kinds of nanorods prepared by different processes reveals the physics behind it. It is observed that ZnO nanorods grown (in-situ) by a sol gel method on platinum substrate show ferroelectric behaviour. On the contrary, ZnO nanorods first grown by a sol gel method and then spin-coated on a platinum substrate (ex-situ) do not demonstrate this kind of feature. X-ray diffraction analysis confirms partially (002) and (100) plane oriented growth of both samples. From photoluminescence (PL) spectral analysis it is interpreted that oxygen vacancies/zinc interstitial defects, which arises from the large lattice mismatch between the Pt substrate and the ZnO nanorods grown thereon, and preferential ZnO growth along 002], can be causes of this type of phenomena. C-V characterization, P-E hysteresis loop along with piezoelectric force microscopy support this observation.

Role of outer membrane exopolymers of Acidithiobacillus ferrooxidans in adsorption of cells onto pyrite and chalcopyrite

Bacterial surface polymers play a major role in the adhesion of bacterial cells to solid surfaces. Lipopolysaccharides (LPS) are essential constituents of the cell walls of almost all Gram-negative bacteria. This paper reports the results of the investigations on the role of outer membrane exopolymers (LPS) of the chemolithotroph, Acidithiobacillus ferrooxidans, in adsorption of the cells onto pyrite and chalcopyrite. Optimization of EDTA treatment for removal of LPS from cell surface and the surface characterization of EDTA-treated cells are outlined. There was no change in cell morphology or loss in cell motility upon treatment with upto 0.04 mM EDTA for 1 h. Partial removal of LPS by EDTA treatment resulted in reduced adsorption of the cells on both pyrite and chalcopyrite. The protein profile of the EDTA-extractable fraction showed presence of certain outer membrane proteins indicating that EDTA treatment results in temporary gaps in the outer membrane. Also, specificity towards pyrite compared to chalcopyrite that was exhibited by untreated cells was lost when their exopolymer layers were stripped off, which could be attributed to the role of outer membrane proteins in the mineral-specificity exhibited by the bacteria. (C) 2013 Elsevier B.V. All rights reserved.

Effect of high-temperature shock-wave compression on few-layer MoS2, WS2 and MoSe2

Exposure of few-layer MoS2, WS2 and MoSe2 to high-temperature shock waves causes morphological changes and a significant decrease in the interlayer separation between the (002) planes, the decrease being greatest in MoSe2. Raman spectra show softening of both the A(1g) and the E-2g(1) modes initially, followed by a slightly stiffening. Using first-principles density functional theoretical analysis of the response of few-layer MoS2 to shock waves, we propose that a combination of shear and uniaxial compressive deformation leads to flattening of MoS2 sheets which is responsible for the changes in the vibrational spectra. (C) 2013 Elsevier B.V. All rights reserved.

Dynamics of a flexible splitter plate in the wake of a circular cylinder

Rigid splitter plates in the wake of bluff bodies are known to suppress the primary vortex shedding. In the present work, we experimentally study the problem of a flexible splitter plate in the wake of a circular cylinder. In this case, the splitter plate is free to continuously deform along its length due to the fluid forces acting on it; the flexural rigidity (EI) of the plate being an important parameter. Direct visualizations of the splitter plate motions, for very low values of flexural rigidity (EI), indicate periodic traveling wave type deformations of the splitter plate with maximum tip amplitudes of the order of I cylinder diameter. As the Reynolds number based on cylinder diameter is varied, two regimes of periodic splitter plate motions are found that are referred to as mode I and mode II, with a regime of aperiodic motions between them. The frequency of plate motions in both periodic modes is found to be close to the plane cylinder Strouhal number of about 0.2, while the average frequencies in the non-periodic regime are substantially lower. The measured normalized phase speed of the traveling wave for both periodic modes is also close to the convection speed of vortices in the plane cylinder wake. As the flexural rigidity of the plate (EI) is increased, the response of the plate was found to shift to the right when plotted with flow speed or Re. To better capture the effect of varying EI, we define and use a non-dimensional bending stiffness, K*, similar to the ones used in the flag flutter problem, K*=EI/(0.5 rho(UL3)-L-2), where U is the free-stream velocity and L is the splitter plate length. Amplitude data for different EI cases when plotted against this parameter appear to collapse on to a single curve for a given splitter plate length. Measurements of the splitter plate motions for varying splitter plate lengths indicate that plates that are substantially larger than the formation length of the plane cylinder wake have similar responses, while shorter plates show significant differences.

An equivalent undercooling model to account for flow effect on binary alloy dendrite growth rate

A theoretical analysis is carried out to observe the influence of important flow parameters such as Nusselt number and Sherwood number on the tip speed of an equiaxed dendrite growing in a convecting alloy melt. The effect of thermal and solutal transfer at the interface due to convection is equated to an undercooling of the melt, and an expression is derived for this equivalent undercooling in terms of the flow Nusselt number and Sherwood number. Results for the equivalent undercooling are compared with corresponding numerical values obtained by performing simulations based on the enthalpy method. This method represents a relatively simple procedure to analyze the effects of melt convection on the growth rate of dendrites. (C) 2013 Elsevier Ltd. All rights reserved.