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Hydrodynamic Radius Fluctuations in Model DNA-Grafted Nanoparticles.

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Gold nanoparticles (NPs) with DNA chains show fluctuating hydrodynamic radii (Rh). This fluctuation, quantified by standard deviation (σRh), peaks with increasing chain numbers (N) and depends on DNA length and NP size.

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Area of Science:

  • Nanotechnology
  • Biophysics
  • Computational Chemistry

Background:

  • Gold nanoparticles (NPs) functionalized with single-stranded DNA (ssDNA) are crucial in nanomedicine and materials science.
  • Understanding nanoparticle behavior, including hydrodynamic radius (Rh) fluctuations, is key to predicting their interactions with biological systems.

Purpose of the Study:

  • To quantify hydrodynamic radius (Rh) fluctuations in ssDNA-grafted gold NPs using molecular dynamics simulations.
  • To investigate the influence of structural parameters (chain length, persistence length, NP core size, number of chains) on Rh fluctuations.

Main Methods:

  • Employed molecular dynamics (MD) simulations to generate configurations of ssDNA-grafted gold NPs.
  • Utilized the ZENO program to calculate the hydrodynamic radius (Rh) for each configuration.
  • Quantified Rh fluctuations by computing the standard deviation (σRh) across an ensemble of NP configurations.

Main Results:

  • Hydrodynamic radius fluctuations (σRh) exhibit a peak as a function of the number of ssDNA chains (N) attached to the NP.
  • The amplitude of these fluctuations is influenced by ssDNA chain length (L), persistence length (lp), and NP core size (R).
  • The broadness of the fluctuation distribution is primarily dependent on the NP core size (R).

Conclusions:

  • The number of ssDNA chains significantly impacts the hydrodynamic radius fluctuations of gold NPs.
  • Structural parameters of both the ssDNA and the NP core collectively govern the magnitude and distribution of these fluctuations.
  • These findings provide insights into fluctuation-induced interactions relevant for designing NP-biomolecule systems.