Coarse-grained models for phase separation in DNA-based fluids

TL;DR

This paper explores how minimal coarse-grained models can capture phase separation in DNA fluids, highlighting the role of counterions in electrostatic interactions and phase behavior.

Contribution

It introduces a simplified model for DNA fluids that accounts for electrostatics and phase separation, advancing understanding of large-scale DNA structure formation.

Findings

Counterions influence the effective range of electrostatic interactions.

The minimal model reproduces experimental phase behavior.

Electrostatic interactions are key to DNA fluid phase separation.

Abstract

DNA is now firmly established as a versatile and robust platform for achieving synthetic nanostructures. While the folding of single molecules into complex structures is routinely achieved through engineering basepair sequences, much less is known about the emergence of structure on larger scales in DNA fluids. The fact that polymeric DNA fluids can undergo phase separation into dense fluid and dilute gas opens avenues to design hierachical and multifarious assemblies. Here we investigate to which extent the phase behavior of single-stranded DNA fluids is captured by a minimal model of semiflexible charged homopolymers while neglecting specific hybridization interactions. We first characterize the single-polymer behavior and then perform direct coexistence simulations to test the model against experimental data. We conclude that counterions not only determine the effective range of direct electrostatic interactions but also the effective attractions.