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- Title
Metallic surface dynamics of genomic DNA and its nitrogenous bases: SERS assessment and theoretical considerations.
- Authors
Muntean, Cristina M.; Biter, Teodor-Lucian; Bratu, Ioan; Toşa, Nicoleta
- Abstract
The dynamics of genomic DNA and its nucleobases at a silver surface were explored using surface-enhanced Raman spectroscopy (SERS) and ab initio Verlet-type dynamics, respectively. The bands observed had full widths at half-maximum (FWHMs) in the wavenumber range 10–29 cm−1. (Sub)picosecond molecular dynamics with global relaxation times of 0.37–1.06 ps were noted. Furthermore, the on-surface ab initio dynamics of the DNA bases were examined using DFT with a Verlet-type algorithm. The results attained for these ergodic dynamic systems describe real systems quite well and could therefore be correlated with corresponding experimental data.
- Subjects
BASE pairs; SURFACE dynamics; METALLIC surfaces; MOLECULAR dynamics; DNA; SILVER ions
- Publication
Journal of Molecular Modeling, 2019, Vol 25, Issue 6, pN.PAG
- ISSN
1610-2940
- Publication type
Article
- DOI
10.1007/s00894-019-4039-y