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December 10, 2025The Journal of Physical Chemistry B

Peptide Corona Formation on Polyethylene Surfaces: A Combined Computational and Experimental Study

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Authors

NTNeha TripathiFSFlorent SaudraisMRMona Rysak

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Overview

This integrated study demonstrates molecular dynamics simulations reveal amino acid interactions with polyethylene, suggesting insights for polymeric materials.

Key Points

  • The research aims to explore how polyethylene interacts with peptides on a molecular level.
  • Utilized molecular modeling to analyze interactions between polyethylene and amino acids
  • Employed molecular dynamics simulations to generate plastic nanoparticles
  • Applied simulated annealing to study corona formation at the atomic level
  • Identified distinct sequence-dependent adsorption behaviors in peptides
  • Valine-based coronas showed aggregation while arginine-based coronas destabilized under heat
  • Computational predictions were validated with equilibrium adsorption isotherms

Cite This Study

Tripathi et al. (2025) studied this question.

synapsesocial.com/papers/69401b312d562116f28f7c2bhttps://doi.org/10.1021/acs.jpcb.5c06013
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