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Understanding the adsorption of branched polyamine on surface of gold nanoparticles by molecular dynamics simulations
Author(s) -
Li Rui,
Zhang Yuanfu
Publication year - 2016
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.6047
Subject(s) - adsorption , polyethylenimine , colloidal gold , molecular dynamics , nanoparticle , molecule , chemistry , nanotechnology , chemical engineering , polyamine , chemical physics , computational chemistry , materials science , organic chemistry , transfection , biochemistry , engineering , gene
Molecular dynamics simulations were conducted to characterize the adsorption behavior of branched polyethylenimine (br‐PEI) on the surface of gold nanoparticles (AuNPs). We observed the preferential adsorption of br‐PEI on the [111] surface of AuNPs. Furthermore, br‐PEI maintained a flat arrangement on the surface and wrapped the AuNPs in a stable manner, thereby blocking the adsorption of H 2 O molecules and other free br‐PEI molecules. The model and computational results provide theoretical support for relevant experiments. Copyright © 2016 John Wiley & Sons, Ltd.