Chain Length Dependence on Folding Transition of a Semiflexible Homo-polymer Chain: Appearance of a Core-Shell Structure

TL;DR

This study uses Monte Carlo simulations to explore how chain length influences the folding transition of semiflexible polymers, revealing different conformational behaviors and structures as chain length varies.

Contribution

It demonstrates the chain length-dependent transition behaviors and the emergence of a core-shell structure in long semiflexible polymers.

Findings

Short chains undergo a discrete coil-to-toroid transition.

Long chains exhibit an intrachain segregated state.

Chain length significantly affects folding pathways.

Abstract

The folding transition of single, long semiflexible polymers was studied with special emphasis on the chain length effect using Monte Carlo simulations. While a relatively short chain (10-25 Kuhn segments) undergoes a large discrete transiton between swollen coil and compact toroid conformations, a long chain (50 Kuhn segments) exhibits an intrachain segregated state between the disordered coil and ordered toroid.