38 resultados para classical over barrier model(COBM)


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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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The so-called conformal affine Toda theory coupled to the matter fields (CATM), associated to the (s) over capl(2) affine Lie algebra, is studied. The conformal symmetry is fixed by setting a connection to zero, then one defines an off-critical model, the affine Toda model coupled to the matter (ATM). Using the dressing transformation method we construct the explicit forms of the two-soliton classical solutions, and show that a physical bound soliton-antisoliton pair (breather) does not exist. Moreover, we verify that these solutions share some features of the sine-Gordon (massive Thirring) solitons, and satisfy the classical equivalence of topological and Noether currents in the ATM model. We show, using bosonization techniques that the ATM theory decouples into a sine-Gordon model and a free scalar. Imposing the Noether and topological currents equivalence as a constraint, one can show that the ATM model leads to a bag model like mechanism for the confinement of the color charge inside the sine-Gordon solitons (baryons).

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Nowadays, many forms of reproduction coexist in nature: Asexual, Sexual, apomictic and meiotic parthenogenesis, hermaphroditism and parasex. The mechanisms of their evolution and what made them successful reproductive alternatives are very challenging and debated questions. Here, using a simple evolutionary aging model, we give I possible scenario. By studying the performance of Populations where individuals may have diverse characteristics-different ploidies, sex with or without crossing over, as well as the absence of sex-we find all evolution sequence that may explain why there are actually two major or leading groups: Sexual and asexual. We also investigate the dependence of these characteristics on different conditions of fertility and deleterious mutations. Finally, if the primeval organisms oil Earth were, in fact, asexual individuals we conjecture that the sexual form of reproduction could have more easily been set and found its niche during a period of low-intensity mutations. (c) 2005 Elsevier B.V. All rights reserved.

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We report a search for the standard model (SM) Higgs boson based on data collected by the D0 experiment at the Fermilab Tevatron Collider, corresponding to an integrated luminosity of 260 pb(-1). We study events with missing transverse energy and two acoplanar b jets, which provide sensitivity to the ZH production cross section in the nu nu bb channel, and to WH production when the lepton from the W ->center dot nu decay is undetected. The data are consistent with the SM background expectation, and we set 95% C.L. upper limits on sigma(pp -> ZH/WH) x B(H -> bb) from 3.4/8.3 to 2.5/6.3 pb, for Higgs-boson masses between 105 and 135 GeV.

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We examine the gamma p photoproduction and the hadronic gamma gamma total cross sections by means of a QCD eikonal model with a dynamical infrared mass scale. In this model, where the dynamical gluon mass is the natural regulator for the tree level gluon-gluon scattering, the gamma p and gamma gamma total cross sections are derived from the pp and (p) over barp forward scattering amplitudes assuming vector meson dominance and the additive quark model. We show that the validity of the cross section factorization relation sigma(pp)/sigma(gamma p)=sigma(gamma p)/sigma(gamma gamma) is fulfilled depending on the Monte Carlo model used to unfold the hadronic gamma gamma cross section data, and we discuss in detail the case of sigma(gamma gamma -> hadrons) data with W-gamma gamma> 10 GeV unfolded by the Monte Carlo generators PYTHIA and PHOJET. The data seems to favor a mild dependence with the energy of the probability (P-had) that the photon interacts as a hadron.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The Lagrangian formalism for the N = 2 supersymmetric sinh-Gordon model with a jump defect is considered. The modified conserved momentum and energy are constructed in terms of border functions. The supersymmetric Backlund transformation is given and an one-soliton solution is obtained.The Lax formulation based on the affine super Lie algebra sl(2, 2) within the space split by the defect leads to the integrability of the model and henceforth to the existence of an infinite number of constants of motion.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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We study the (D) over barN interaction at low energies with a quark model inspired in the QCD Hamiltonian in Coulomb gauge. The model Hamiltonian incorporates a confining Coulomb potential extracted from a self-consistent quasiparticle method for the gluon degrees of freedom, and transverse-gluon hyperfine interaction consistent with a finite gluon propagator in the infrared. Initially a constituent-quark mass function is obtained by solving a gap equation and baryon and meson bound-states are obtained in Fock space using a variational calculation. Next, having obtained the constituent-quark masses and the hadron waves functions, an effective meson-nucleon interaction is derived from a quark-interchange mechanism. This leads to a short range meson-baryon interaction and to describe long-distance physics vector- and scalar-meson exchanges described by effective Lagrangians are incorporated. The derived effective (D) over barN potential is used in a Lippmann-Schwinger equation to obtain phase shifts. The results are compared with a recent similar calculation using the nonrelativistic quark model.

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

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The dynamical properties of a classical particle bouncing between two rigid walls, in the presence of a drag force, are studied for the case where one wall is fixed and the other one moves periodically in time. The system is described in terms of a two-dimensional nonlinear map obtained by solution of the relevant differential equations. It is shown that the structure of the KAM curves and the chaotic sea is destroyed as the drag force is introduced. At high energy, the velocity of the particle decreases linearly with increasing iteration number, but with a small superimposed sinusoidal modulation. If the motion passes near enough to a fixed point, the particle approaches it exponentially as the iteration number evolves, with a speed of approach that depends on the strength of the drag force. For a simplified version of the model it is shown that, at low energies corresponding to the region of the chaotic sea in the non-dissipative model, the particle wanders in a chaotic transient that depends on the strength of the drag coefficient. However, the KAM islands survive in the presence of dissipation. It is confirmed that the fixed points and periodic orbits go over smoothly into the orbits of the well-known (non-dissipative) Fermi-Ulam model as the drag force goes to zero.

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An economic-statistical model is developed for variable parameters (VP) (X) over bar charts in which all design parameters vary adaptively, that is, each of the design parameters (sample size, sampling interval and control-limit width) vary as a function of the most recent process information. The cost function due to controlling the process quality through a VP (X) over bar chart is derived. During the optimization of the cost function, constraints are imposed on the expected times to signal when the process is in and out of control. In this way, required statistical properties can be assured. Through a numerical example, the proposed economic-statistical design approach for VP (X) over bar charts is compared to the economic design for VP (X) over bar charts and to the economic-statistical and economic designs for fixed parameters (FP) (X) over bar charts in terms of the operating cost and the expected times to signal. From this example, it is possible to assess the benefits provided by the proposed model. Varying some input parameters, their effect on the optimal cost and on the optimal values of the design parameters was analysed.