Activity-driven polymer knotting for macromolecular topology engineering

TL;DR

This paper demonstrates that active polymers can be effectively knotted through non-equilibrium dynamics, enabling controlled topological modifications with potential applications in biomolecular engineering.

Contribution

It reveals a novel method of inducing and controlling polymer knotting via activity-driven fluctuations and ratchet effects, advancing macromolecular topology engineering.

Findings

Active polymers can self-knot through conformation fluctuations.

Knots migrate to the anchored point via a ratchet mechanism.

Active polymers can transfer knots to passive polymers or braid knots.

Abstract

Macromolecules can gain special properties by adopting knotted conformations, but engineering knotted macromolecules is a challenging task. Here we surprisingly observed that knotting can be very effectively produced in active polymers. When one end of an actively reptative polymer is anchored, it can undergo continual self-knotting as a result of intermittent giant conformation fluctuations and the outward reptative motion. Once a knot is formed, it migrates to the anchored point due to a non-equilibrium ratchet effect. Moreover, when the active polymer is grafted on the end of a passive polymer, it can function as a self-propelling soft needle to either transfer its own knots to the passive polymer or directly braid knots on the passive polymer. We further show that these active needles can create inter-molecular bridging knots between two passive polymers. Our finding highlights the non-equilibrium effects in modifying the dynamic pathways of polymer systems, which have potential applications in macromolecular topology engineering, e.g., manipulating topological states of proteins and nucleic acids, as well as macromolecular braiding.