Authors

A. Milchev; K. Binder;A. Bhattacharya

Abbreviated Journal Title

J. Chem. Phys.

Keywords

BEAD-SPRING MODEL; POLYNUCLEOTIDE MOLECULES; DYNAMIC PROPERTIES; SCALING; THEORY; CHAINS; TRANSPORT; MEMBRANE; PORES; SURFACE; HOLE; Physics, Atomic, Molecular & Chemical

Abstract

Dynamic Monte Carlo simulation of a bead-spring model of flexible macromolecules threading through a very narrow pore in a very thin rigid membrane are presented, assuming at the cis side of the membrane a purely repulsive monomer-wall interaction, while the trans side is attractive. Two choices of monomer-wall attraction epsilon are considered, one choice is slightly below and the other slightly above the "mushroom to pancake" adsorption threshold epsilon(c) for an infinitely long chain. Studying chain lengths N=32, 64, 128, and 256 and varying the number of monomers N-trans (time t=0) that have already passed the pore when the simulation started, over a wide range, we find for epsilon < epsilon(c) (nonadsorbing case) that the translocation probability varies proportional to c(trans)=N-trans(t=0)/N for small c(trans), while for epsilon>epsilon(c) a finite number N-trans(t=0) suffices that the translocation probability is close to unity. In the case epsilonepsilon(c), we find that the translocation time scales as tauproportional toN(1.65+/-0.08). We suggest a tentative scaling explanation for this result. Also the distribution of translocation times is obtained and discussed.

Journal Title

Journal of Chemical Physics

Volume

121

Issue/Number

12

Publication Date

1-1-2004

Document Type

Article

Language

English

First Page

6042

Last Page

6051

WOS Identifier

WOS:000223872000056

ISSN

0021-9606

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