The gold/ampicillin interface at the atomic scale

In the fight against antibiotic resistance, gold nanoparticles (AuNP) with antibiotics grafted on their surfaces have been found to be potent agents. Ampicillin-conjugated AuNPs have been thus reported to overcome highly ampicillin-resistant bacteria. However, the structure at the atomic scale of th...

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Bibliographic Details
Published in:Nanoscale 2015-09, Vol.7 (34), p.14515-14524
Main Authors: Tarrat, N, Benoit, M, Giraud, M, Ponchet, A, Casanove, M J
Format: Article
Language:English
Subjects:
Adsorption
Ampicillin - chemistry
Ampicillin - pharmacology
Anti-Bacterial Agents - chemistry
Anti-Bacterial Agents - pharmacology
Antibiotics
Atomic structure
Bacteria
Bacteria - drug effects
Chemical Physics
Gold
Gold - chemistry
Grafting
Metal Nanoparticles - chemistry
Nanoconjugates - chemistry
Nanostructure
Physics
Surface chemistry
Surface Properties
Thermodynamics
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Summary:In the fight against antibiotic resistance, gold nanoparticles (AuNP) with antibiotics grafted on their surfaces have been found to be potent agents. Ampicillin-conjugated AuNPs have been thus reported to overcome highly ampicillin-resistant bacteria. However, the structure at the atomic scale of these hybrid systems remains misunderstood. In this paper, the structure of the interface between an ampicillin molecule AMP and three flat gold facets Au(111), Au(110) and Au(100) has been investigated with numerical simulations (dispersion-corrected DFT). Adsorption energies, bond distances and electron densities indicate that the adsorption of AMP on these facets goes through multiple partially covalent bonding. The stability of the AuNP/AMP nanoconjugates is explained by large adsorption energies and their potential antibacterial activity is discussed on the basis of the constrained spatial orientation of the grafted antibiotic.
ISSN:2040-3364
2040-3372
DOI:10.1039/c5nr03318g