Control of encounter kinetics by chemically active droplets

TL;DR

This paper models chemically active biomolecular condensates to understand their influence on molecular encounter rates, revealing they can both accelerate or slow reactions depending on chemical drive and surface dynamics.

Contribution

It introduces a microscopic stochastic model for active droplets, showing how chemical reactions modulate phase separation and reaction kinetics in biomolecular condensates.

Findings

Chemical drive controls surface fluxes and reaction rates.

Condensates can enhance or hinder molecular encounters.

Active droplets influence intracellular reaction dynamics.

Abstract

Biomolecular condensates play a crucial role in the spatial organization of living matter. These membrane-less organelles, resulting from liquid-liquid phase separation, operate far from thermodynamic equilibrium, with their size and stability influenced by non-equilibrium chemical reactions. While condensates are frequently considered optimized nanoreactors that enhance molecular encounters, their actual impact on reaction kinetics remains unclear due to competing effects such as diffusion hindrance, and random trapping in non-specific condensates. In this study, we develop a microscopic, stochastic model for chemically active droplets, incorporating reaction-driven modulation of protein interactions. Using Brownian dynamics simulations, we investigate how protein interactions and active coupling to a free energy reservoir influence phase separation, molecular transport and reaction kinetics. We demonstrate that the intensity of the chemical drive governs surface dynamics, generating fluxes that modulate bimolecular reaction rates. Comparing active emulsions to homogeneous systems, we reveal that condensates can either accelerate or decelerate molecular encounters. Our findings provide key insights into the role of biomolecular condensates as potential regulators of intracellular reaction kinetics.