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Fundamental understanding of the effect of microscopic parameters on thedynamics of probe particles in different complex environments has wideimplications. Examples include diffusion of proteins in the biologicalhydrogels, porous media, polymer matrix, etc. Here, we use extensive moleculardynamics simulations to investigate the dynamics of the probe particle in apolymer network on a diamond lattice which provides substantial crowding tomimic the cellular environment. Our simulations show that the dynamics of theprobe increasingly becomes restricted, non-Gaussian and subdiffusive onincreasing the network rigidity, binding affinity and the probe size. Inaddition, the velocity autocorrelation functions show negative dips owing tothe viscoelasticity and caging due to surrounding network. These observationsgo with general experimental findings. Surprisingly for a probe particle ofsize comparable to the mesh size, unrestricted motion engulfing large lengthscales has been observed. This happens with the more flexible polymer network,which is easily pushed by the bigger probe. Our study gives a generalqualitative picture of transport of probes in gel like medium, as encounteredin different contexts.

Transport of probe particles in polymer network: effects of probe size, network rigidity and probe-polymer interaction