• 文献标题:   Surface dynamics of genomic DNAs upon lowering the pH, in the presence of graphene/AgNPs-based SERS detection platform
  • 文献类型:   Article
  • 作  者:   MUNTEAN CM, DINA NE, BITER TL, BRATU I, COROS M, SOCACI C, COSTE A
  • 作者关键词:   native nucleic acid, dna base, graphene/agnpsbased substrate, graphene layer, surfaceenhanced raman spectroscopy, sub picosecond surface dynamic, ab initio dynamic
  • 出版物名称:   JOURNAL OF MOLECULAR MODELING
  • ISSN:   1610-2940 EI 0948-5023
  • 通讯作者地址:   Natl Inst Res Dev Isotop Mol Technol
  • 被引频次:   0
  • DOI:   10.1007/s00894-020-04477-3
  • 出版年:   2020

▎ 摘  要

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 initiodynamics 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.