Surface dynamics of genomic DNAs upon lowering the pH, in the presence of graphene/AgNPs-based SERS detection platform.

Journal of Molecular Modeling
Cristina M MunteanAna Coste

Abstract

Graphene/AgNPs-based surface dynamics of native DNA functional groups at different acidic pH values was discussed using surface-enhanced Raman spectroscopy (SERS). Also, ab initio dynamics of Verlet type was investigated for nucleic acid nitrogenous bases adsorbed on a graphene surface, respectively. The experimental dynamical parameters were given in terms of full widths at half-maximum (FWHMs) and (sub)picosecond global relaxation times, associated with SERS bands. Furthermore, using density functional theory (DFT) as implemented in SIESTA and the velocity autocorrelation function (VACF), we have obtained the vibrational density of states (VDOS) for each of the four DNA bases placed on a pristine graphene layer. Graphical abstract Top: computed VbDOS for guanine. Bottom: Verlet temperature as a function of time.

References

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Jun 27, 2017·The Journal of Physical Chemistry. B·Cristina M MunteanAntonio Hernanz
May 17, 2019·Journal of Molecular Modeling·Cristina M MunteanNicoleta Toşa

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Citations

May 7, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Cristina M MunteanAna Coste

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