Peptide Synthesis of Gold Nanoparticles: The Early Steps of Gold Reduction Investigated by Density Functional Theory

Gold nanoparticles can be synthesized by reducing chloroaurate(III) ions in the presence of peptides. Here, such reduction for serine and tyrosine is studied by density functional theory including solvent effects. We find that the formation of chloroaurate complexes of these amino acids is thermodyn...

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Bibliographic Details
Published in:Nano letters 2011-03, Vol.11 (3), p.1313-1318
Main Authors: Toroz, Dimitrios, Corni, Stefano
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Cross-disciplinary physics: materials science
rheology
Electron states
Exact sciences and technology
Gold
Materials science
Metal Nanoparticles
Methods of electronic structure calculations
Methods of nanofabrication
Models, Theoretical
Nanocrystalline materials
Nanoscale materials and structures: fabrication and characterization
Oxidation-Reduction
Peptides - chemical synthesis
Physics
Thermodynamics
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Summary:Gold nanoparticles can be synthesized by reducing chloroaurate(III) ions in the presence of peptides. Here, such reduction for serine and tyrosine is studied by density functional theory including solvent effects. We find that the formation of chloroaurate complexes of these amino acids is thermodynamically viable and facilitates the reduction of Au(III), to a greater degree for tyrosine as found in experiments. Our results also suggest a rationale for the behavior of tyrosine-intercalated peptides.
ISSN:1530-6984
1530-6992
DOI:10.1021/nl1043924