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The adhesion and endocytosis of two spherocylindrical nanoparticles (SCNPs) on lipid membranes depend on adhesion strength and initial distance. SCNPs can form dimers or remain monomers, influencing their membrane interactions and endocytosis pathways.

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Area of Science:

  • Biophysics
  • Materials Science
  • Computational Chemistry

Background:

  • Lipid membranes are crucial biological barriers.
  • Nanoparticle interactions with membranes are key for drug delivery and biomaterials.
  • Understanding adhesion and endocytosis mechanisms is vital for nanoparticle design.

Purpose of the Study:

  • To numerically investigate the adhesion and endocytosis of two spherocylindrical nanoparticles (SCNPs) on lipid membranes.
  • To explore the influence of nanoparticle adhesion strength and dimensions on their membrane interactions.
  • To determine the role of initial nanoparticle distance in adhesion and endocytosis modes.

Main Methods:

  • Molecular dynamics simulations using an implicit-solvent model.
  • Systematic variation of SCNP adhesion energy per unit area (ξ) and initial center-of-mass distance (d₀).
  • Analysis of nanoparticle adhesion states (monomeric, wedged dimers, tubular dimers) and endocytosis pathways.

Main Results:

  • At weak adhesion (ξ), SCNPs adhere monomerically in parallel mode.
  • Increased adhesion (ξ) leads to wedged dimer formation, with angle dependent on ξ.
  • Initial distance (d₀) significantly impacts adhesion: small d₀ promotes dimerization (wedged or tubular), while large d₀ favors monomeric adhesion.
  • Endocytosis occurs as tubular dimers for low d₀ and monomers for large d₀, with dimeric endocytosis having a lower onset adhesion strength.

Conclusions:

  • SCNP adhesion and endocytosis on lipid membranes are complex processes governed by adhesion strength and initial proximity.
  • The formation of dimers versus monomers, and subsequent endocytosis pathways, are highly sensitive to these parameters.
  • Findings provide insights into nanoparticle-membrane interactions, relevant for designing targeted delivery systems and understanding cellular uptake mechanisms.