Simulations of single grafted polyelectrolyte chains: ssDNA and dsDNA

被引：32

作者：

Crozier, PS ^{[1
]}

Stevens, MJ ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2003年 / 118卷 / 08期

关键词：

D O I：

10.1063/1.1540098

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：

The structure of a single, grafted polyelectrolyte, DNA, is investigated by molecular dynamics simulations. The polyelectrolyte is treated as a bead-spring model with explicit charges using parametrizations of both flexible (ssDNA) and stiff (dsDNA) polyelectrolytes. In this single chain limit with no added salt, the flexible ssDNA is always highly extended. Counterion condensation on both molecules is found to be chain length dependent. The counterion distribution is not localized to the chain volume as in related polyelectrolyte brush states. Even at large chain lengths, where the majority of counterions are condensed, a significant fraction of counterions reside far from the chain. The distributions of positions of the nongrafted end monomer for ssDNA and dsDNA differ significantly, indicating a possibility for distinguishing the two states in DNA array technologies.(C) 2003 American Institute of Physics.

引用

页码：3855 / 3860

页数：6

共 25 条

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