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Understanding the Cellular Uptake of pH-Responsive Zwitterionic Gold Nanoparticles: A Computer Simulation Study.

Xuebo Quan1, Daohui Zhao1, Libo Li1

  • 1School of Chemistry and Chemical Engineering, Guangdong Provincial Key Lab for Green Chemical Product Technology, South China University of Technology , Guangzhou 510640, P. R. China.

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|November 23, 2017
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Summary

Zwitterionic polymer-coated gold nanoparticles (AuNPs) show pH-dependent interactions with lipid membranes. Their translocation and cellular uptake depend on polymer protonation and chain length, offering insights for designing advanced nanomaterials.

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Area of Science:

  • Nanotechnology
  • Biomaterials Science
  • Computational Chemistry

Background:

  • Surface functionalization of nanoparticles (NPs) with stealth polymers is crucial for resisting protein adsorption and enhancing biomedical applications.
  • Understanding nanoparticle-biomembrane interactions is vital for developing safe and effective nanomedicines.

Purpose of the Study:

  • To investigate the interactions between stealth polymer-coated gold nanoparticles (AuNPs) and lipid membranes using molecular dynamics simulations.
  • To explore how zwitterionic polymer coatings influence nanoparticle-membrane interactions, including pH-dependent behavior and translocation.
  • To evaluate the effect of polymer chain length on the cellular uptake of zwitterionic AuNPs.

Main Methods:

  • Coarse-grained molecular dynamics (CGMD) simulations were employed to model nanoparticle-membrane interactions.
  • Simulations analyzed the approach, adsorption, translocation, and wrapping of AuNPs by lipid membranes.
  • The influence of polymer protonation degree and chain length on these interactions was systematically studied.

Main Results:

  • Zwitterionic polymer-coated AuNPs approached lipid membranes more readily than poly(ethylene glycol) (PEG)-coated AuNPs due to dipole-dipole interactions.
  • pH-dependent interaction modes were observed for zwitterionic AuNPs, ranging from surface adsorption to pore-mediated translocation and membrane wrapping (endocytosis).
  • Polymer chain length modulated translocation and transmembrane efficiency, with longer chains hindering uptake at low protonation but enhancing it at high protonation.

Conclusions:

  • Zwitterionic polymer coatings offer tunable control over nanoparticle-membrane interactions, enabling pH-responsive behavior.
  • The findings provide a mechanistic understanding of how nanoparticle surface chemistry and polymer properties influence cellular uptake.
  • This research informs the design of novel pH-responsive nanomaterials for advanced biomedical applications.