(181an) Conformational Rearrangement of Knots in Tensioned Polymer Chains | AIChE

(181an) Conformational Rearrangement of Knots in Tensioned Polymer Chains

Authors 

Soh, B. W. - Presenter, Massachusetts Institute of Technology
Doyle, P., Massachusetts Institute of Technology
Klotz, A., Massachusetts Institute of Technology
We use Brownian dynamics simulations to study the conformations of knots on tensioned chains. Focusing specifically on the 81 knot, we observe knot conformation hopping and show that the process can be described by a two-state kinetic model in the presence of an external force. The distribution of knot conformations depends on the applied chain tension, which leads to a force-dependent distribution of knot untying pathways. We generalize our findings by considering the untying pathways of other knots and find that the way knots untie is generally governed by the force applied to the chain. From a broader perspective, being able to influence how a knot unties via external force can potentially be useful for applications of single-molecule techniques in which knots are unwanted.