Journal
LANGMUIR
Volume 21, Issue 25, Pages 11599-11603Publisher
AMER CHEMICAL SOC
DOI: 10.1021/la052116k
Keywords
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We conducted a computational adsorption study of methylamine on various surface models of a gold nanoparticle which is facetted by multiple {111} and {100} planes. In addition to these flat surfaces, our models include the stepped surfaces (ridges) formed along the intersections of these planes. Binding on the flat surfaces was fairly weak, but substantially stronger on the ridges by an average of 4.4 kcal/mol. This finding supports the idea that ssDNA's interaction with gold nanoparticles occurs through the amines on the purine/pyrimidine rings. Also, this typically undesirable interaction between DNA and gold nanoparticles is expected to increase as the particle size decreases. Our analysis suggests that particle size is an important controlling parameter to reduce this interaction.
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