中国科学技术大学学报 ›› 2017, Vol. 47 ›› Issue (12): 996-1001.DOI: 10.3969/j.issn.0253-2778.2017.12.004

• 论著 • 上一篇    下一篇

DNA发夹在拉力作用下的热力学性质

张冬华,王佳军,夏佰成,昱万程   

  1. 中国科学技术大学高分子科学与工程系,安徽合肥 230026)
  • 收稿日期:2017-03-30 修回日期:2017-06-02 出版日期:2017-12-30 发布日期:2017-12-30

Thermodynamic properties of a DNA hairpin under a pulling force

ZHANG Donghua, WANG Jiajun, XIA Baicheng, YU Wancheng   

  1. Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei 230026, China
  • Received:2017-03-30 Revised:2017-06-02 Online:2017-12-30 Published:2017-12-30
  • Contact: YU Wancheng
  • About author:ZHANG Donghua, female, born in 1991, Master. Research field: soft matter physics and biological physics. E-mail: zdh2014@mail.ustc.edu.cn
  • Supported by:
    Supported by the China Postdoctoral Science Foundation (2015M581998), the Fundamental Research Funds for the Central Universities of China (WK2060200020).

摘要: 利用二维朗之万动力学模拟方法研究了DNA发夹在拉力作用下的相转变行为.研究发现DNA发夹处于展开状态的概率与所施加的拉力大小存在定量关系,并且可以通过统计力学的角度进行解释.通过选取不同的参数组合,并进行大量的模拟实验,分别得到了DNA发夹的拉力-碱基配对强度和拉力-温度相图.所得相图表明碱基配对强度增强或温度降低都有利于DNA发夹处于折叠状态.这些相图非常有益于加深人们对DNA发夹在拉力作用下的热力学性质的理解.

关键词: DNA发夹, 拉力, 相图, 朗之万动力学模拟

Abstract: The phase transition of a DNA hairpin under a pulling force was investigated by using the two-dimensional (2D) Langevin dynamics simulations. It is found that the unfolded probability could be quantitatively expressed as a function of the pulling force, which is interpreted from the perspective of statistical mechanics. Then, by performing vast simulations with different parameter sets, the force-intensity of base pairing and the force-temperature phase diagram was plotted, respectively. It is shown that the increasing intensity of base pairing and the decreasing temperature are in favor of the folded states. The phase diagrams obtained in the present work are conductive to deepening understanding of the thermodynamic properties of a DNA hairpin under a pulling force.

Key words: DNA hairpin, pulling force, phase diagram, Langevin dynamics simulation

中图分类号: