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- W2031520385 abstract "Molecular dynamics methods have been used to study a 2 nm gold nanoparticle that is functionalized with four single stranded DNAs at the atomistic level. The DNA strands, which are attached to the [111] faces of a 201 atom truncated octahedral gold particle with a -S(CH2)6- linker, are found to be perpendicular to the surface of the particle, with the alkane chain lying on the surface. There are no significant hydrogen bonding interactions between the adsorbed ss-DNAs during the simulation. Even though the expected radius would be 49 Å (3.4 Å per base) for a Watson−Crick DNA structure, the simulation with 0.5 M salt shows a radius of about 29 Å (2.2 Å per base), which is a result that is consistent with recent experimental reports. It is also found that the sodium concentration within 30 Å of the gold particle is about 20% higher than the bulk concentration. This is consistent with an observed increase in the melting temperature of DNA when many functionalized gold particles are hybridized together." @default.
- W2031520385 created "2016-06-24" @default.
- W2031520385 creator A5064735594 @default.
- W2031520385 creator A5076007279 @default.
- W2031520385 date "2009-01-21" @default.
- W2031520385 modified "2023-09-26" @default.
- W2031520385 title "Molecular Dynamics Simulation of DNA-Functionalized Gold Nanoparticles" @default.
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- W2031520385 doi "https://doi.org/10.1021/jp8094165" @default.
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