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Related Experiment Video

Updated: Jun 5, 2026

Protein Kinase C-delta Inhibitor Peptide Formulation using Gold Nanoparticles
06:06

Protein Kinase C-delta Inhibitor Peptide Formulation using Gold Nanoparticles

Published on: March 9, 2019

Design Rules for Selective Peptide Amphiphile-Gold Nanoparticle Interactions from Atomistic Simulations.

Christopher Kang1, Abigail Gringeri2, Abigail S Knight2

  • 1Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina 27695, United States.

Langmuir : the ACS Journal of Surfaces and Colloids
|June 4, 2026
PubMed
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Peptide amphiphiles guide gold nanoparticle growth via specific residue interactions. Tyrosine and lysine residues cooperatively enhance adsorption, offering principles for nanomaterial engineering.

Area of Science:

  • Materials Science
  • Biomaterials Engineering
  • Computational Chemistry

Background:

  • Peptide amphiphiles (PAs) offer tunable control over biomineralization processes.
  • Understanding PA interactions at the water-metal interface is crucial for nanoparticle engineering.
  • Current knowledge of residue-level mechanisms guiding nanoparticle growth is limited.

Purpose of the Study:

  • To elucidate the atomic-level mechanisms of peptide amphiphile adsorption and orientation on gold surfaces.
  • To determine the contributions of individual amino acid residues and cooperative effects to adsorption.
  • To provide a framework for designing PAs for controlled nanomaterial synthesis.

Main Methods:

  • Molecular dynamics (MD) simulations were employed to study PA adsorption on Au(111) and Au(100) surfaces.

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Last Updated: Jun 5, 2026

Protein Kinase C-delta Inhibitor Peptide Formulation using Gold Nanoparticles
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Published on: March 9, 2019

Synthesis and Characterization of Amphiphilic Gold Nanoparticles
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Synthesis and Characterization of Amphiphilic Gold Nanoparticles

Published on: July 2, 2019

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  • Enhanced sampling techniques were used to calculate free energy landscapes.
  • Simulations analyzed interactions of individual amino acids, peptide segments, and full PAs.

    • Main Results:

    • Tyrosine residues were found to dominate the adsorption of a modular PA on Au(111).
    • Charged residues and peptide backbones showed varying degrees of interaction depending on the molecular construct and surface facet.
    • Cooperative effects, such as adjacent lysine residues, were shown to enhance tyrosine-mediated adsorption and influence facet selectivity.

    Conclusions:

    • The study provides the first atomically detailed understanding of peptide amphiphile-gold interactions.
    • Specific residue-surface and residue-residue interactions dictate PA adsorption behavior.
    • These findings offer guiding principles for engineering PAs for advanced nanomaterial applications.