Adsorption and vibrational study of folic acid on gold nanopillar structures using surface-enhanced Raman Scattering Spectroscopy
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2015-01-01
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Abstract
This paper presents a study of adsorption and vibrational
features of folic acid, using surface-enhanced Raman
scattering (SERS). A gold-capped silicon nanopillar (Au
NP) with a height of 600 nm and a width of 120 nm was
utilized to study the vibrational features of FA molecules
adsorbed on the nanopillars within the high electromagnetic field areas. The adsorption behaviour of folic acid and
the band assignment of the main vibrations together with
the optimized geometry of folic acid and folic acid in the
presence of a cluster of 10 gold atoms were assessed using
the density functional theory (B3LYP(6-31G(d))) and the
scalar relativistic effective core potential with a double-zeta
basis set (LANL2DZ). The vibrations obtained from the
solid-state folic acid and the folic acid on a gold cluster were
in accordance with those observed experimentally. The
analysis of the main vibrations indicated that the interac‐
tion of folic acid with the Au NP occurred primarily
through the nitrogen atoms, from their pteridine ring.
Finally, the obtained adsorption isotherm for folic acid was
deduced from the analysis of the SERS spectra and it
followed a negative cooperative binding model.
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Atribución-NoComercial-CompartirIgual 2.5 Colombia