962 resultados para C-alpha model


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We report here results from a dynamo model developed on the lines of the Babcock-Leighton idea that the poloidal field is generated at the surface of the Sun from the decay of active regions. In this model magnetic buoyancy is handled with a realistic recipe - wherein toroidal flux is made to erupt from the overshoot layer wherever it exceeds a specified critical field B-C (10(5) G). The erupted toroidal field is then acted upon by the alpha-effect near the surface to give rise to the poloidal field. In this paper we study the effect of buoyancy on the dynamo generated magnetic fields. Specifically, we show that the mechanism of buoyant eruption and the subsequent depletion of the toroidal field inside the overshoot layer, is capable of constraining the magnitude and distribution of the magnetic field there. We also believe that a critical study of this mechanism may give us new information regarding the solar interior and end with an example, where we propose a method for estimating an upper limit of the difusivity within the overshoot layer.

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Hepatitis C virus infection is a major health problem worldwide. Developing effective antiviral therapy for HCV is the need of the hour. The viral enzymes NS3 protease and NS5B RNA dependent RNA polymerase are essential enzymes for polyprotein processing and viral RNA replication and thus can be potential targets for screening anti-HCV compounds. A large number of phytochemicals are present in plants, which are found to be promising antiviral agents. In this study, we have screened inhibitory effect of different plant extracts against the NS3 and NS5B enzymes of hepatitis C virus. Methanolic extracts were prepared from various plant materials and their inhibitory effects on the viral enzymes were determined by in vitro enzyme assays. Effect on viral RNA replication was investigated by using TaqMan Real time RT-PCR. Interestingly, Phyllanthus amarus root (PAR) extract showed significant inhibition of HCV-NS3 protease enzyme; whereas P. amarus leaf (PAL) extract showed considerable inhibition of NS5B in the in vitro assays. Further, the PAR and PAL extracts significantly inhibited replication of HCV monocistronic replicon RNA and HCV H77S viral RNA in HCV cell culture system. However, both PAR and PAL extracts did not show cytotoxicity in Huh7 cells in the MTT assay. Furthermore, addition of PAR together with IFN-alpha showed additive effect in the inhibition of HCV RNA replication. Results suggest the possible molecular basis of the inhibitory activity of PA extract against HCV which would help in optimization and subsequent development of specific antiviral agent using P. amarus as potent natural source. (C) 2011 Elsevier B.V. All rights reserved.

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We have carried out symmetrized density-matrix renormalization-group calculations to study the nature of excited states of long polyacene oligomers within a Pariser-Parr-Pople Hamiltonian. We have used the C-2 symmetry, the electron-hole symmetry, and the spin parity of the system in our calculations. We find that there is a crossover in the lowest dipole forbidden two-photon state and the lowest dipole allowed excited state with size of the oligomer. In the long system limit, the two-photon state lies below the lowest dipole allowed excited state. The triplet state lies well below the two-photon state and energetically does not correspond to its description as being made up of two triplets. These results are in agreement with the general trends in linear conjugated polymers. However, unlike in linear polyenes wherein the two-photon state is a localized excitation, we find that in polyacenes, the two-photon excitation is spread out over the system. We have doped the systems with a hole and an electron and have calculated the charge excitation gap. Using the charge gap and the optical gap, we estimate the binding energy of the 1(1)B(-) exciton to be 2.09 eV. We have also studied doubly doped polyacenes and find that the bipolaron in these systems, to be composed of two separated polarons, as indicated by the calculated charge-density profile and charge-charge correlation function. We have studied bond orders in various states in order to get an idea of the excited state geometry of the system. We find that the ground state, the triplet state, the dipole allowed state, and the polaron excitations correspond to lengthening of the rung bonds in the interior of the oligomer while the two-photon excitation corresponds to the rung bond lengths having two maxima in the system.

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We build dynamic models of community assembly by starting with one species in our model ecosystem and adding colonists. We find that the number of species present first increases, then fluctuates about some level. We ask: how large are these fluctuations and how can we characterize them statistically? As in Robert May's work, communities with weaker interspecific interactions permit a greater number of species to coexist on average. We find that as this average increases, however, the relative variation in the number of species and return times to mean community levels decreases. In addition, the relative frequency of large extinction events to small extinction events decreases as mean community size increases. While the model reproduces several of May's results, it also provides theoretical support for Charles Elton's idea that diverse communities such as those found in the tropics should be less variable than depauperate communities such as those found in arctic or agricultural settings.

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The evolution of the dipole mode (DM) events in the Indian Ocean is examined using an ocean model that is driven by the NCEP fluxes for the period 1975-1998. The positive DM events during 1997, 1994 and 1982 and negative DM events during 1996 and 1984-1985 are captured by the model and it reproduces both the surface and subsurface features associated with these events. In its positive phase, the DM is characterized by warmer than normal SST in the western Indian Ocean and cooler than normal SST in the eastern Indian Ocean. The DM events are accompanied by easterly wind anomalies along the equatorial Indian Ocean and upwelling-favorable alongshore wind anomalies along the coast of Sumatra. The Wyrtki jets are weak during positive DM events, and the thermocline is shallower than normal in the eastern Indian Ocean and deeper in the west. This anomaly pattern reverses during negative DM events. During the positive phase of the DM easterly wind anomalies excite an upwelling equatorial Kelvin wave. This Kelvin wave reflects from the eastern boundary as an upwelling Rossby wave which propagates westward across the equatorial Indian Ocean. The anomalies in the eastern Indian Ocean weaken after the Rossby wave passes. A similar process excites a downwelling Rossby wave during the negative phase. This Rossby wave is much weaker but wind forcing in the central equatorial Indian Ocean amplifies the downwelling and increases its westward phase speed. This Rossby wave initiates the deepening of the thermocline in the western Indian Ocean during the following positive phase of the DM. Rossby wave generated in the southern tropical Indian Ocean by Ekman pumping contributes to this warming. Concurrently, the temperature equation of the model shows upwelling and downwelling to be the most important mechanism during both positive events of 1994 and 1997. (C) 2002 Elsevier Science Ltd. All rights reserved.

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Submicron size Co, Ni and Co-Ni alloy powders have been synthesized by the polyol method using the corresponding metal malonates and Pd powder by reduction of PdOx in methanol. The kinetics of the hydrogen evolution reaction ( HER) in 6 M KOH electrolyte have been studied on electrodes made from the pressed powders. The d.c. polarization measurements have resulted in a value close to 120 mV decade(-1) for the Tafel slope, suggesting that the HER follows the Volmer-Heyrovsky mechanism. The values of exchange current density (i(o)) are in the range 1-10 mA cm(-2) for electrodes fabricated in the study. The a.c. impedance spectra measured at several potentials in the HER region showed a single semicircle in the Nyquist plots. Exchange current density (i(o)) and energy transfer coefficient (alpha) have been calculated by employing a nonlinear least square-fitting program.

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The thermal degradation of vinyl polyperoxides, poly(styrene peroxide, (PSP), poly(alpha-methylstyrene peroxide) (PAMSP) and poly(alpha-phenylstyrene pet-oxide) (PAPSP), was carried out at different temperatures in toluene. The time evolution of molecular weight distributions (MWDs) was determined by gel permeation chromatography (GPC). A continuous distribution model was used to evaluate the random chain degradation rate coefficients. The activation energies, determined from the temperature dependence of the rate coefficients, suggest that thermal degradation of polyperoxides is controlled by the dissociation of the O-O bonds in the backbone of the polymer chain. Among the three polyperoxides investigated, the thermal stability is the highest for PAPSP and the lowest for PAMSP. (C) 2002 Elsevier Science Ltd. All rights reserved.

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A method for the preparation of acicular hydrogoethite (alpha -FeOOH.xH(2)O, 0.1 < x < 0.22) particles of 0.3-1 mm length has been optimized by air oxidation of Fe( II) hydroxide gel precipitated from aqueous (NH4)(2)Fe(SO4)(2) solutions containing 0.005-0.02 atom% of cationic Pt, Pd or Rh additives as morphology controlling agents. Hydrogoethite particles are evolved from the amorphous ferrous hydroxide gel by heterogeneous nucleation and growth. Preferential adsorption of additives on certain crystallographic planes thereby retarding the growth in the perpendicular direction, allows the particles to acquire acicular shapes with high aspect ratios of 8-15. Synthetic hydrogoethite showed a mass loss of about 14% at similar to 280 degreesC, revealing the presence of strongly coordinated water of hydration in the interior of the goethite crystallites. As evident from IR spectra, excess H2O molecules (0.1- 0.22 per formula unit) are located in the strands of channels formed in between the double ribbons of FeO6 octahedra running parallel to the c- axis. Hydrogoethite particles constituted of multicrystallites are formed with Pt as additive, whereas single crystallite particles are obtained with Pd (or Rh). For both dehydroxylation as well as H-2 reduction, a lower reaction temperature (similar to 220 degreesC) was observed for the former (Pt treated) compared to the latter (Pd or Rh) (similar to 260 degreesC). Acicular magnetite (Fe3O4) was prepared either by reducing hydrogoethite (magnetite route) or dehydroxylating hydrogoethite to hematite and then reducing it to magnetite (hematite- magnetite route). According to TEM studies, preferential dehydroxylation of hydrogoethite along < 010 > leads to microporous hematite. Maghemite (gamma -Fe2O3 (-) (delta), 0 < < 0.25) was obtained by reoxidation of magnetite. The micropores are retained during the topotactic transformation to magnetite and finally to maghemite, whereas cylindrical mesopores are formed due to rearrangement of the oxygen sublattice from hexagonal to cubic close packing during the conversion of hydrogoethite to magnetite and then to maghemite. Accordingly, three different types of maghemite particles are realized: strongly oriented multicrystalline particles, single crystalline acicular particles with micropores or crystallites having mesopores. Higher values of saturation magnetization ((s) = 74 emu g(-1)) and coercivity (H-c = 320 Oe) are obtained for single crystalline mesoporous particles. In the other cases, the smaller size of particles and larger distribution of micropores decreases sigma (s) considerably ( < 60 emu g(-1)) due to relaxation effects of spins on the surface atoms as revealed by Mossbauer spectroscopy.

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The design and synthesis of agents that can abstract zinc from their [CCXX] (C=cysteine; X=cysteine/histidine) boxes by thioldisulfide exchange-having as control, the redox parities of the core sulfur ligands of the reagent and the enzyme, has been illustrated, and their efficiency demonstrated by monitoring the inhibition of the transcription of calf thymus DNA by E. coli RNA polymerase, which harbors two zinc atoms in their [CCXX] boxes of which one is exchangeable. Maximum inhibition possible with removal of the exchangeable zinc was seen with redox-sulfanilamide-glutamate composite. In sharp contrast, normal chelating agents (EDTA, phenanthroline) even in a thousand fold excess showed only marginal inhibition, thus supporting an exchange mechanism for the metal removal. (C) 2002 Elsevier Science Ltd. All rights reserved.

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For studying systems with a cubic anisotropy in interfacial energy sigma, we extend the Cahn-Hilliard model by including in it a fourth-rank term, namely, gamma (ijlm) [partial derivative (2) c/(partial derivativex(i) partial derivativex(j))] [partial derivative (2) c/(partial derivativex(l) partial derivativex(m))]. This term leads to an additional linear term in the evolution equation for the composition parameter field. It also leads to an orientation-dependent effective fourth-rank coefficient gamma ([hkl]) in the governing equation for the one-dimensional composition profile across a planar interface. The main effect of a non-negative gamma ([hkl]) is to increase both sigma and interfacial width w, each of which, upon suitable scaling, is related to gamma ([hkl]) through a universal scaling function. In this model, sigma is a differentiable function of interface orientation (n) over cap, and does not exhibit cusps; therefore, the equilibrium particle shapes (Wulff shapes) do not contain planar facets. However, the anisotropy in the interfacial energy can be large enough to give rise to corners in the Wulff shapes in two dimensions. In particles of finite sizes, the corners become rounded, and their shapes tend towards the Wulff shape with increasing particle size.

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Single crystals of a-hopeite exhibiting high transparency were grown by single diffusion gel growth technique. Single crystal X-ray diffraction analysis reveals that the crystal belongs to orthorhombic system. The values of several structural and physical parameters have been determined for the grown crystal. The optical absorption study reveals the transparency of the crystal and is noticed in the entire visible region and the cut-off wavelength was found to be 230 nm. The optical band gap found to be at 3.25 eV. The dependence of extinction co-efficient (k) and the refractive index (n) on the wavelength was also shown. The dielectric constant and dielectric loss of the crystal was studied as a function of frequency and temperature. Transport properties of the grown crystal have been studied from the Cole-Cole plot. (C) 2010 Elsevier GmbH. All rights reserved.

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We show that an extension of Ananthakrishna's model to include spatial degrees of freedom produces spatially uncorrelated bands, hopping type and the continuously propagating type with increasing applied strain rate. The velocity of the continuously propagating bands is found to vary linearly with applied strain rate. (C) 2003 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.

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Inspired by the demonstration that tool-use variants among wild chimpanzees and orangutans qualify as traditions (or cultures), we developed a formal model to predict the incidence of these acquired specializations among wild primates and to examine the evolution of their underlying abilities. We assumed that the acquisition of the skill by an individual in a social unit is crucially controlled by three main factors, namely probability of innovation, probability of socially biased learning, and the prevailing social conditions (sociability, or number of potential experts at close proximity). The model reconfirms the restriction of customary tool use in wild primates to the most intelligent radiation, great apes; the greater incidence of tool use in more sociable populations of orangutans and chimpanzees; and tendencies toward tool manufacture among the most sociable monkeys. However, it also indicates that sociable gregariousness is far more likely to produce the maintenance of invented skills in a population than solitary life, where the mother is the only accessible expert. We therefore used the model to explore the evolution of the three key parameters. The most likely evolutionary scenario is that where complex skills contribute to fitness, sociability and/or the capacity for socially biased learning increase, whereas innovative abilities (i.e., intelligence) follow indirectly. We suggest that the evolution of high intelligence will often be a byproduct of selection on abilities for socially biased learning that are needed to acquire important skills, and hence that high intelligence should be most common in sociable rather than solitary organisms. Evidence for increased sociability during hominin evolution is consistent with this new hypothesis. (C) 2003 Elsevier Science Ltd. All rights reserved.

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A one-dimensional, biphasic, multicomponent steady-state model based on phenomenological transport equations for the catalyst layer, diffusion layer, and polymeric electrolyte membrane has been developed for a liquid-feed solid polymer electrolyte direct methanol fuel cell (SPE- DMFC). The model employs three important requisites: (i) implementation of analytical treatment of nonlinear terms to obtain a faster numerical solution as also to render the iterative scheme easier to converge, (ii) an appropriate description of two-phase transport phenomena in the diffusive region of the cell to account for flooding and water condensation/evaporation effects, and (iii) treatment of polarization effects due to methanol crossover. An improved numerical solution has been achieved by coupling analytical integration of kinetics and transport equations in the reaction layer, which explicitly include the effect of concentration and pressure gradient on cell polarization within the bulk catalyst layer. In particular, the integrated kinetic treatment explicitly accounts for the nonhomogeneous porous structure of the catalyst layer and the diffusion of reactants within and between the pores in the cathode. At the anode, the analytical integration of electrode kinetics has been obtained within the assumption of macrohomogeneous electrode porous structure, because methanol transport in a liquid-feed SPE- DMFC is essentially a single-phase process because of the high miscibility of methanol with water and its higher concentration in relation to gaseous reactants. A simple empirical model accounts for the effect of capillary forces on liquid-phase saturation in the diffusion layer. Consequently, diffusive and convective flow equations, comprising Nernst-Plank relation for solutes, Darcy law for liquid water, and Stefan-Maxwell equation for gaseous species, have been modified to include the capillary flow contribution to transport. To understand fully the role of model parameters in simulating the performance of the DMCF, we have carried out its parametric study. An experimental validation of model has also been carried out. (C) 2003 The Electrochemical Society.

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Nanocrystalline alpha-alumina was synthesized in an indigenously built ultrasonic flame pyrolysis (UFP) setup. This paper describes the technical aspects of the apparatus and particle formation in the flame. Ultrasonically atomized aluminium nitrate dissolved in methanol-water mixture was pyrolyzed in an oxy-propane flame for yielding nanocrystalline alpha-alumina. The formation of nanophase alumina was confirmed by powder XRD analysis. Scanning electron microscopy (SEM) analysis was carried out to study particulate morphology. (C) 2003 Elsevier Science Ltd. All rights reserved.