Kinetics of loop formation in worm-like chain polymers

被引:18
作者
Afra, Reza [1 ]
Todd, Brian A. [1 ]
机构
[1] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA
基金
美国国家科学基金会;
关键词
CONTROLLED INTRACHAIN REACTIONS; SEMIFLEXIBLE POLYMERS; DIFFUSION-MODEL; TIME SCALES; DYNAMICS; CYCLIZATION; DNA; SIMULATIONS;
D O I
10.1063/1.4802258
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A common theoretical approach to calculating reaction kinetics is to approximate a high-dimensional conformational search with a one-dimensional diffusion along an effective reaction coordinate. We employed Brownian dynamics simulations to test the validity of this approximation for loop formation kinetics in the worm-like chain polymer model. This model is often used to describe polymers that exhibit backbone stiffness beyond the monomer length scale. We find that one-dimensional diffusion models overestimate the looping time and do not predict the quantitatively correct dependence of looping time on chain length or capture radius. Our findings highlight the difficulty of describing high-dimensional polymers with simple kinetic theories. (C) 2013 AIP Publishing LLC.
引用
收藏
页数:8
相关论文
共 46 条
[1]   Loops in DNA: An overview of experimental and theoretical approaches [J].
Allemand, J. -F. ;
Cocco, S. ;
Douarche, N. ;
Lia, G. .
EUROPEAN PHYSICAL JOURNAL E, 2006, 19 (03) :293-302
[2]   Computation of the Mean First-Encounter Time Between the Ends of a Polymer Chain [J].
Amitai, A. ;
Kupka, I. ;
Holcman, D. .
PHYSICAL REVIEW LETTERS, 2012, 109 (10)
[3]   Accurate method for the Brownian dynamics simulation of spherical particles with hard-body interactions [J].
Barenbrug, TMAOM ;
Peters, EAJF ;
Schieber, JD .
JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (20) :9202-9214
[4]   Single-molecule studies of DNA mechanics [J].
Bustamante, C ;
Smith, SB ;
Liphardt, J ;
Smith, D .
CURRENT OPINION IN STRUCTURAL BIOLOGY, 2000, 10 (03) :279-285
[5]   Persistence length changes dramatically as RNA folds [J].
Caliskan, G ;
Hyeon, C ;
Perez-Salas, U ;
Briber, RM ;
Woodson, SA ;
Thirumalai, D .
PHYSICAL REVIEW LETTERS, 2005, 95 (26)
[6]   Diffusion-controlled first contact of the ends of a polymer: Crossover between two scaling regimes [J].
Chen, JZY ;
Tsao, HK ;
Sheng, YJ .
PHYSICAL REVIEW E, 2005, 72 (03)
[7]   First-passage time of cyclization dynamics of a wormlike polymer [J].
Chen, JZY ;
Tsao, HK ;
Sheng, YJ .
EUROPHYSICS LETTERS, 2004, 65 (03) :407-413
[8]   Recent advances in polyaniline based biosensors [J].
Dhand, Chetna ;
Das, Maumita ;
Datta, Monika ;
Malhotra, B. D. .
BIOSENSORS & BIOELECTRONICS, 2011, 26 (06) :2811-2821
[9]  
DOI M, 1975, CHEM PHYS, V9, P455, DOI 10.1016/0301-0104(75)80083-8
[10]   Multi-scale modeling of diffusion-controlled reactions in polymers: Renormalisation of reactivity parameters [J].
Everaers, Ralf ;
Rosa, Angelo .
JOURNAL OF CHEMICAL PHYSICS, 2012, 136 (01)