Surface dynamics of genomic DNAs upon lowering the pH, in the presence of graphene/AgNPs-based SERS detection platform.
Cristina M MunteanNicoleta E DinaTeodor-Lucian BiterIoan BratuMaria CoroşCrina SocaciAna CostePublished in: Journal of molecular modeling (2020)
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.
Keyphrases
- raman spectroscopy
- density functional theory
- nucleic acid
- molecular dynamics
- gold nanoparticles
- walled carbon nanotubes
- room temperature
- sensitive detection
- carbon nanotubes
- circulating tumor
- label free
- ionic liquid
- high throughput
- atomic force microscopy
- blood flow
- single cell
- copy number
- mass spectrometry
- high resolution
- energy transfer