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Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly.

Wright,LB, Merrill,NA, Knecht,MR and Walsh,TR 2014, Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly., ACS Applied Materials & Interfaces, vol. 6, no. 13, pp. 10524-10533, doi: 10.1021/am502119g.

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Title Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly.
Author(s) Wright,LB
Merrill,NA
Knecht,MR
Walsh,TRORCID iD for Walsh,TR orcid.org/0000-0002-0233-9484
Journal name ACS Applied Materials & Interfaces
Volume number 6
Issue number 13
Start page 10524
End page 10533
Publisher American Chemical Society
Place of publication United States
Publication date 2014
ISSN 1944-8252
Keyword(s) arginine
assembly
gold
nanoparticles
simulation
Science & Technology
Technology
Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Science & Technology - Other Topics
Materials Science
MOLECULAR-DYNAMICS SIMULATIONS
AMINO-ACIDS
ADSORPTION BEHAVIOR
AU NANOPARTICLES
AU(111) SURFACE
METAL-SURFACES
FORCE-FIELD
MONOLAYER
RECOGNITION
PEPTIDES
Summary Adsorption of small biomolecules onto the surface of nanoparticles offers a novel route to generation of nanoparticle assemblies with predictable architectures. Previously, ligand-exchange experiments on citrate-capped gold nanoparticles with the amino acid arginine were reported to support linear nanoparticle assemblies. Here, we use a combination of atomistic modeling with experimental characterization to explore aspects of the assembly hypothesis for these systems. Using molecular simulation, we probe the structural and energetic characteristics of arginine overlayers on the Au(111) surface under aqueous conditions at both low- and high-coverage regimes. In the low-density regime, the arginines lie flat on the surface. At constant composition, these overlayers are found to be lower in energy than the densely packed films, although the latter case appears kinetically stable when arginine is adsorbed via the zwitterion group, exposing the charged guanidinium group to the solvent. Our findings suggest that zwitterion-zwitterion hydrogen bonding at the gold surface and minimization of the electrostatic repulsion between adjacent guanidinium groups play key roles in determining arginine overlayer stability at the aqueous gold interface. Ligand-exchange experiments of citrate-capped gold nanoparticles with arginine derivatives agmatine and N-methyl-l-arginine reveal that modification at the guanidinium group significantly diminishes the propensity for linear assembly of the nanoparticles.
Language eng
DOI 10.1021/am502119g
Field of Research 030302 Nanochemistry and Supramolecular Chemistry
030304 Physical Chemistry of Materials
030603 Colloid and Surface Chemistry
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2014, American Chemical Society
Persistent URL http://hdl.handle.net/10536/DRO/DU:30070679

Document type: Journal Article
Collection: Institute for Frontier Materials
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Citation counts: TR Web of Science Citation Count  Cited 12 times in TR Web of Science
Scopus Citation Count Cited 14 times in Scopus
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