Literature DB >> 28987083

First passage, looping, and direct transition in expanding and narrowing tubes: Effects of the entropy potential.

Alexander M Berezhkovskii1, Leonardo Dagdug1, Sergey M Bezrukov1.   

Abstract

We study transitions of diffusing particles between the left and right ends of expanding and narrowing conical tubes. In an expanding tube, such transitions occur faster than in the narrowing tube of the same length and radius variation rate. This happens because the entropy potential pushes the particle towards the wide tube end, thus accelerating the transitions in the expanding tube and slowing them down in the narrowing tube. To gain deeper insight into how the transitions occur, we divide each trajectory into the direct-transit and looping segments. The former is the final part of the trajectory, where the particle starting from the left tube end goes to the right end without returning to the left one. The rest of the trajectory is the looping segment, where the particle, starting from the left tube end, returns to this end again and again until the direct transition happens. Our focus is on the durations of the two segments and their sum, which is the duration of the particle first passage between the left and right ends of the tube. We approach the problem using the one-dimensional description of the particle diffusion along the tube axis in terms of the modified Fick-Jacobs equation. This allows us to derive analytical expressions for the Laplace transforms of the probability densities of the first-passage, direct-transit, and looping times, which we use to find the mean values of these random variables. Our results show that the direct transits are independent of the entropy potential and occur as in free diffusion. However, this "free diffusion" occurs with the effective diffusivity entering the modified Fick-Jacobs equation, which is smaller than the particle diffusivity in a cylindrical tube. This is the only way how the varying tube geometry manifests itself in the direct transits. Since direct-transit times are direction-independent, the difference in the first-passage times in the tubes of the two types is due to the difference in the durations of the looping segments in the expanding and narrowing tubes. Obtained analytical results are supported by three-dimensional Brownian dynamics simulations.

Year:  2017        PMID: 28987083      PMCID: PMC5626573          DOI: 10.1063/1.4993129

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  42 in total

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2.  Reaction coordinates and rates from transition paths.

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3.  Illustration of transition path theory on a collection of simple examples.

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Journal:  J Chem Phys       Date:  2006-08-28       Impact factor: 3.488

4.  Transition times in the low-noise limit of stochastic dynamics.

Authors:  Sergey V Malinin; Vladimir Y Chernyak
Journal:  J Chem Phys       Date:  2010-01-07       Impact factor: 3.488

5.  Time scale separation leads to position-dependent diffusion along a slow coordinate.

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Journal:  J Chem Phys       Date:  2011-08-21       Impact factor: 3.488

6.  Single-molecule fluorescence experiments determine protein folding transition path times.

Authors:  Hoi Sung Chung; Kevin McHale; John M Louis; William A Eaton
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7.  Transition path times for nucleic Acid folding determined from energy-landscape analysis of single-molecule trajectories.

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8.  Direct observation of transition paths during the folding of proteins and nucleic acids.

Authors:  Krishna Neupane; Daniel A N Foster; Derek R Dee; Hao Yu; Feng Wang; Michael T Woodside
Journal:  Science       Date:  2016-04-08       Impact factor: 47.728

9.  Fast single-molecule FRET spectroscopy: theory and experiment.

Authors:  Hoi Sung Chung; Irina V Gopich
Journal:  Phys Chem Chem Phys       Date:  2014-09-21       Impact factor: 3.676

10.  Structural origin of slow diffusion in protein folding.

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Journal:  Science       Date:  2015-09-25       Impact factor: 47.728

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  3 in total

1.  Exact Solutions for Distributions of First-Passage, Direct-Transit, and Looping Times in Symmetric Cusp Potential Barriers and Wells.

Authors:  Alexander M Berezhkovskii; Leonardo Dagdug; Sergey M Bezrukov
Journal:  J Phys Chem B       Date:  2019-04-23       Impact factor: 2.991

2.  Peculiarities of the Mean Transition Path Time Dependence on the Barrier Height in Entropy Potentials.

Authors:  Alexander M Berezhkovskii; Leonardo Dagdug; Sergey M Bezrukov
Journal:  J Phys Chem B       Date:  2020-03-16       Impact factor: 2.991

3.  The Effect of Time Resolution on Apparent Transition Path Times Observed in Single-Molecule Studies of Biomolecules.

Authors:  Dmitrii E Makarov; Alexander Berezhkovskii; Gilad Haran; Eli Pollak
Journal:  J Phys Chem B       Date:  2022-10-04       Impact factor: 3.466

  3 in total

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