title: Vibrational analysis of phosphorothioate DNA: II. The POS group in the model compound dimethyl phosphorothioate [(CH3O)2(POS)]-.
abstract: The results of Raman and Infrared (IR) spectroscopic investigations on the vibrational modes of dimethyl phosphorothioate (DMPS) anion, [(CH3O)2(POS)]-, are reported. Ab initio calculations of the vibrational modes, the IR and Raman spectra and the interatomic force constants of DMPS were performed. A normal mode calculation was performed and the results were used to calculate the potential energy distribution for the vibrational modes. This analysis shows that in DMPS the P-S stretching mode has a frequency of about 630 cm-1 and an angle bending mode involving the sulfur atom has a frequency of about 440 cm-1. The proposed vibrational mode assignments will serve as marker bands in the conformational studies of phosphorothioate oligonucleotides which play a central role in the novel antisense therapeutic paradigm.
authors.affiliation: Department of Physics & Astronomy, University of Toledo, OH 43606, USA.
authors.forename: C A
authors.initials: CA
authors.lastname: Steinke
authors.forename: K K
authors.initials: KK
authors.lastname: Reeves
authors.forename: J W
authors.initials: JW
authors.lastname: Powell
authors.forename: S A
authors.initials: SA
authors.lastname: Lee
authors.forename: Y Z
authors.initials: YZ
authors.lastname: Chen
authors.forename: T
authors.initials: T
authors.lastname: Wyrzykiewicz
authors.forename: R H
authors.initials: RH
authors.lastname: Griffey
authors.forename: V
authors.initials: V
authors.lastname: Mohan
mesh_terms: D004247:DNA / Q000737:chemistry*; D008432:Mathematical Computing; D008958:Models, Molecular; D017550:Spectroscopy, Fourier Transform Infrared; D013873:Thionucleotides / Q000737:chemistry*; D014732:Vibration
chemical_list: D013873:Thionucleotides; D004247:DNA