93 resultados para parabolic diffusion


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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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We show that diffusion can play an important role in protein-folding kinetics. We explicitly calculate the diffusion coefficient of protein folding in a lattice model. We found that diffusion typically is configuration- or reaction coordinate-dependent. The diffusion coefficient is found to be decreasing with respect to the progression of folding toward the native state, which is caused by the collapse to a compact state constraining the configurational space for exploration. The configuration- or position-dependent diffusion coefficient has a significant contribution to the kinetics in addition to the thermodynamic free-energy barrier. It effectively changes (increases in this case) the kinetic barrier height as well as the position of the corresponding transition state and therefore modifies the folding kinetic rates as well as the kinetic routes. The resulting folding time, by considering both kinetic diffusion and the thermodynamic folding free-energy profile, thus is slower than the estimation from the thermodynamic free-energy barrier with constant diffusion but is consistent with the results from kinetic simulations. The configuration- or coordinate-dependent diffusion is especially important with respect to fast folding, when there is a small or no free-energy barrier and kinetics is controlled by diffusion. Including the configurational dependence will challenge the transition state theory of protein folding. The classical transition state theory will have to be modified to be consistent. The more detailed folding mechanistic studies involving phi value analysis based on the classical transition state theory also will have to be modified quantitatively.

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In this paper, we investigate the invariance and integrability properties of an integrable two-component reaction-diffusion equation. We perform Painleve analysis for both the reaction-diffusion equation modelled by a coupled nonlinear partial differential equations and its general similarity reduced ordinary differential equation and confirm its integrability. Further, we perform Lie symmetry analysis for this model. Interestingly our investigations reveals a rich variety of particular solutions, which have not been reported in the literature, for this model. (C) 2000 Elsevier B.V. Ltd. All rights reserved.

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We discuss in this paper equations describing processes involving non-linear and higher-order diffusion. We focus on a particular case (u(t) = 2 lambda (2)(uu(x))(x) + lambda (2)u(xxxx)), which is put into analogy with the KdV equation. A balance of nonlinearity and higher-order diffusion enables the existence of self-similar solutions, describing diffusive shocks. These shocks are continuous solutions with a discontinuous higher-order derivative at the shock front. We argue that they play a role analogous to the soliton solutions in the dispersive case. We also discuss several physical instances where such equations are relevant.

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After pointing out the difference between normal and anomalous diffusion, we consider a hadron resonance cascade (HRC) model simulation for particle emission at RHIC and point out that rescattering in an expanding hadron resonance gas leads to a heavy tail in the source distribution. The results are compared to recent PHENIX measurements of the tail of the particle emitting source in Au+Au collisions at RHIC. In this context, we show how can one distinguish experimentally the anomalous diffusion of hadrons from a second order QCD phase transition.

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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A non-twist Hamiltonian system perturbed by two waves with particular wave numbers can present Robust Tori, barriers created by the vanishing of the perturbing Hamiltonian at some defined positions. When Robust Tori exist, any trajectory in phase space passing close to them is blocked by emergent invariant curves that prevent the chaotic transport. We analyze the breaking up of the RT as well the transport dependence on the wave numbers and on the wave amplitudes. Moreover, we report the chaotic web formation in the phase space and how this pattern influences the transport.

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In this paper we prove that the spatial discretization of a one dimensional system of parabolic equations. with suitably small step size, contains exactly the same asymptotic dynamics as the continuous problem. (C) 2000 Academic Press.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The isothermal kinetics of Ag precipitation was studied in Cu-Al-Ag alloys with concentrations ranging from 2 to 8 wt.%Al and 2 to 12 wt.%Ag, using scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDX) and microhardness measurements. The results indicated a change in the precipitates growing mechanism from diffusion to interface controlled process, probably due to a change in the nature of the interface with the Ag and Al enrichment of the precipitates. (C) 2006 Elsevier B.V. All rights reserved.

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The evolution equation governing surface perturbations of a shallow fluid heated from below at the critical Rayleigh number for the onset of convective motion, and with boundary conditions leading to zero critical wave number, is obtained. A solution for negative or cooling perturbations is explicitly exhibited, which shows that the system presents sharp propagating fronts.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The apparent diffusion coefficients for sucrose, NaCl and water during osmotic dehydration of tomatoes in ternary solutions were determined. Long time experiments (up to 60 h) were carried out in order to determine equilibrium concentrations inside tomatoes, whereas short time experiments (up to 4 h) were performed to provide detailed information on kinetics of water loss and solids gain at the beginning of osmotic treatment. The mass transfer rates for water and solutes showed to be dependent of NaCl and sucrose concentrations in osmotic solution and simple regression models as functions of solutes concentration were determined for diffusion coefficients. Salt and sucrose diffusivities showed to be interdependent, with increasing NaCl concentration causing the enhancement of water loss, at the same time that higher sucrose contents hindered the excessive salt penetration. (C) 2003 Elsevier Ltd. All rights reserved.

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In this work we consider a one-dimensional quasilinear parabolic equation and we prove that the lap number of any solution cannot increase through orbits as the time passes if the initial data is a continuous function. We deal with the lap number functional as a Lyapunov function, and apply lap number properties to reach an understanding on the asymptotic behavior of a particular problem. (c) 2006 Published by Elsevier Ltd.