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1.
J Chem Phys ; 141(12): 124112, 2014 Sep 28.
Artículo en Inglés | MEDLINE | ID: mdl-25273417

RESUMEN

Force-driven translocation of a macromolecule through a nanopore is investigated systematically by taking into account the monomer-pore friction as well as the "crowding" of monomers on the trans-side of the membrane which counterbalance the driving force acting in the pore. The problem is treated self-consistently, so that the resulting force in the pore and the dynamics on the cis and trans sides mutually influence each other. The set of governing differential-algebraic equations for the translocation dynamics is derived and solved numerically. The analysis of this solution shows that the crowding of monomers on the trans side hardly affects the dynamics, but the monomer-pore friction can substantially slow down the translocation process. Moreover, the translocation exponent α in the translocation time-vs.-chain length scaling law, τ ∝ N(α), becomes smaller for relatively small chain lengths as the monomer-pore friction coefficient increases. This is most noticeable for relatively strong forces. Our findings show that the variety of values for α reported in experiments and computer simulations, may be attributed to different pore frictions, whereas crowding effects can generally be neglected.

2.
Phys Rev E Stat Nonlin Soft Matter Phys ; 85(4 Pt 1): 041801, 2012 Apr.
Artículo en Inglés | MEDLINE | ID: mdl-22680489

RESUMEN

We suggest a theoretical description of the force-induced translocation dynamics of a polymer chain through a nanopore. Our consideration is based on the tensile (Pincus) blob picture of a pulled chain and the notion of a propagating front of tensile force along the chain backbone, suggested by Sakaue [Phys. Rev. E 76, 021803 (2007); Phys. Rev. E 81, 041808 (2010); Eur. Phys. J. E 34, 135 (2011)]. The driving force is associated with a chemical potential gradient that acts on each chain segment inside the pore. Depending on its strength, different regimes of polymer motion (named after the typical chain conformation: trumpet, stem-trumpet, etc.) occur. Assuming that the local driving and drag forces are equal (i.e., in a quasistatic approximation), we derive an equation of motion for the tensile front position X(t). We show that the scaling law for the average translocation time 〈τ〉 changes from <τ> ∼ N2ν/f1/ν to <τ> ∼ N^1+ν/f (for the free-draining case) as the dimensionless force f[over ̃]R=aNνf/T (where a, N, ν, f, and T are the Kuhn segment length, the chain length, the Flory exponent, the driving force, and the temperature, respectively) increases. These and other predictions are tested by molecular-dynamics simulation. Data from our computer experiment indicate indeed that the translocation scaling exponent α grows with the pulling force f[over ̃]R, albeit the observed exponent α stays systematically smaller than the theoretically predicted value. This might be associated with fluctuations that are neglected in the quasistatic approximation.


Asunto(s)
Microfluídica/métodos , Modelos Químicos , Modelos Moleculares , Nanopartículas/química , Nanopartículas/ultraestructura , Polímeros/química , Simulación por Computador , Porosidad , Estrés Mecánico
3.
Phys Rev E Stat Nonlin Soft Matter Phys ; 83(1 Pt 1): 011802, 2011 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-21405705

RESUMEN

We suggest a governing equation that describes the process of polymer-chain translocation through a narrow pore and reconciles the seemingly contradictory features of such dynamics: (i) a Gaussian probability distribution of the translocated number of polymer segments at time t after the process has begun, and (ii) a subdiffusive increase of the distribution variance Δ(t) with elapsed time Δ(t)∝t(α). The latter quantity measures the mean-squared number s of polymer segments that have passed through the pore Δ(t)=([s(t)-s(t=0)](2)), and is known to grow with an anomalous diffusion exponent α<1. Our main assumption [i.e., a Gaussian distribution of the translocation velocity v(t)] and some important theoretical results, derived recently, are shown to be supported by extensive Brownian dynamics simulation, which we performed in 3D. We also numerically confirm the predictions made recently that the exponent α changes from 0.91 to 0.55 to 0.91 for short-, intermediate-, and long-time regimes, respectively.

4.
Eur Phys J E Soft Matter ; 29(4): 363-78, 2009 Aug.
Artículo en Inglés | MEDLINE | ID: mdl-19644716

RESUMEN

We present an analytical study of a toy model for shear banding, without normal stresses, which uses a piecewise linear approximation to the flow curve (shear stress as a function of shear rate). This model exhibits multiple stationary states, one of which is linearly stable against general two-dimensional perturbations. This is in contrast to analogous results for the Johnson-Segalman model, which includes normal stresses, and which has been reported to be linearly unstable for general two-dimensional perturbations. This strongly suggests that the linear instabilities found in the Johnson-Segalman can be attributed to normal stress effects.

5.
J Phys Condens Matter ; 21(9): 098001, 2009 Mar 04.
Artículo en Inglés | MEDLINE | ID: mdl-21817411

RESUMEN

In a recent publication of Panja et al (2007 J. Phys.: Condens. Matter 19 432202) they suggested a new interpretation of the translocation problem of polymer chain threading through a narrow pore. Here we point out some contradictions and inconsistencies in this treatment which question the plausibility of the obtained results.

6.
Phys Rev E Stat Nonlin Soft Matter Phys ; 76(1 Pt 1): 010801, 2007 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-17677402

RESUMEN

The translocation dynamics of a polymer chain through a nanopore in the absence of an external driving force is analyzed by means of scaling arguments, fractional calculus, and computer simulations. The problem at hand is mapped on a one-dimensional anomalous diffusion process in terms of the reaction coordinate s (i.e., the translocated number of segments at time t ) and shown to be governed by a universal exponent alpha=2(2nu+2-gamma(1), where nu is the Flory exponent and gamma(1) is the surface exponent. Remarkably, it turns out that the value of alpha is nearly the same in two and three dimensions. The process is described by a fractional diffusion equation which is solved exactly in the interval 02, which provide a full description of the diffusion process. The comparison of the analytic results with data derived from extensive Monte Carlo simulations reveals very good agreement and proves that the diffusion dynamics of unbiased translocation through a nanopore is anomalous in its nature.

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