Renner C Benjamin, Doyle Patrick S
Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.
ACS Macro Lett. 2014 Oct 21;3(10):963-967. doi: 10.1021/mz500464p. Epub 2014 Sep 10.
We present Brownian dynamics simulations of initially knotted double-stranded DNA molecules untying in elongational flows. We show that the motions of the knots are governed by a diffusion-convection equation by deriving scalings that collapse the simulation data. When being convected, all knots displace nonaffinely, and their rates of translation along the chain are topologically dictated. We discover that torus knots "corkscrew" when driven by flow, whereas nontorus knots do not. We show that a simple mechanism can explain a coupling between this rotation and the translation of a knot, explaining observed differences in knot translation rates. These types of knots are encountered in nanoscale manipulation of DNA, occur in biology at multiple length scales (DNA to umbilical cords), and are ubiquitous in daily life (e.g., hair). These results may have a broad impact on manipulations of such knots via flows, with applications to genomic sequencing and polymer processing.
我们展示了在拉伸流中解开初始打结的双链DNA分子的布朗动力学模拟。通过推导能使模拟数据塌缩的标度,我们表明结的运动由扩散 - 对流方程支配。在对流时,所有结都非仿射位移,并且它们沿链的平移速率由拓扑结构决定。我们发现环面结在流的驱动下会“螺旋前进”,而非环面结则不会。我们表明一种简单机制可以解释这种旋转与结的平移之间的耦合,解释了观察到的结平移速率差异。这类结在DNA的纳米级操作中会遇到,在生物学的多个长度尺度(从DNA到脐带)上出现,并且在日常生活中很常见(例如头发)。这些结果可能对通过流动操纵此类结产生广泛影响,应用于基因组测序和聚合物加工。