Periodicity-dependent stiffness of periodic hydrophilic-hydrophobic hetero-polymers

TL;DR

This study uses Monte Carlo simulations to reveal how the stiffness of periodic hydrophilic-hydrophobic heteropolymers varies with their period, showing increased stiffness at shorter periods and temperature-dependent conformations.

Contribution

It introduces a novel periodicity-dependent stiffness effect in heteropolymers, expanding understanding of their conformational behavior in aqueous solutions.

Findings

Shorter periods lead to more stretched conformations.

At low temperature, needle-like structures are stable.

Temperature increases induce kinks and bends.

Abstract

From extensive Monte Carlo simulations of a Larson model of perfectly periodic heteropolymers (PHP) in water a striking stiffening is observed as the period of the alternating hydrophobic and hydrophilic blocks is shortened. At short period and low temperature needle-like conformations are the stable conformation. As temperature is increased thermal fluctuations induce kinks and bends. At large periods compact oligomeric globules are observed. From the generalized Larson prescription, originally developed for modelling surfactant molecules in aqueous solutions, we find that the shorter is the period the more stretched is the PHP. This novel effect is expected to stimulate polymer synthesis and trigger research on the rheology of aqueous periodic heteropolymer solutions.