title: Comprehensive Vibrational Spectroscopic Investigation of trans,trans,trans-[Pt(N3)2(OH)2(py)2], a Pt(IV) Diazido Anticancer Prodrug Candidate.
abstract: We report a detailed study of a promising photoactivatable metal-based anticancer prodrug candidate, trans,trans,trans-[Pt(N3)2(OH)2(py)2] (C1; py = pyridine), using vibrational spectroscopic techniques. Attenuated total reflection Fourier transform infrared (ATR-FTIR), Raman, and synchrotron radiation far-IR (SR-FIR) spectroscopies were applied to obtain highly resolved ligand and Pt-ligand vibrations for C1 and its precursors (trans-[Pt(N3)2(py)2] (C2) and trans-[PtCl2(py)2] (C3)). Distinct IR- and Raman-active vibrational modes were assigned with the aid of density functional theory calculations, and trends in the frequency shifts as a function of changing Pt coordination environment were determined and detailed for the first time. The data provide the ligand and Pt-ligand (azide, hydroxide, pyridine) vibrational signatures for C1 in the mid- and far-IR region, which will provide a basis for the better understanding of the interaction of C1 with biomolecules.
authors.affiliation: Department of Chemistry, University of Warwick , Gibbet Hill Road, Coventry CV4 7AL, U.K.
authors.forename: Robbin R
authors.initials: RR
authors.lastname: Vernooij
authors.forename: Tanmaya
authors.initials: T
authors.lastname: Joshi
authors.affiliation: Department of Chemistry, University of Warwick , Gibbet Hill Road, Coventry CV4 7AL, U.K.
authors.forename: Evyenia
authors.initials: E
authors.lastname: Shaili
authors.forename: Manja
authors.initials: M
authors.lastname: Kubeil
authors.affiliation: Australian Synchrotron , 800 Blackburn Road, Clayton, 3168 VIC, Australia.
authors.forename: Dominique R T
authors.initials: DR
authors.lastname: Appadoo
authors.forename: Ekaterina I
authors.initials: EI
authors.lastname: Izgorodina
authors.affiliation: Monash Institute of Pharmaceutical Sciences, Monash University , Melbourne, 3052 VIC, Australia.
authors.forename: Bim
authors.initials: B
authors.lastname: Graham
authors.affiliation: Department of Chemistry, University of Warwick , Gibbet Hill Road, Coventry CV4 7AL, U.K.
authors.forename: Peter J
authors.initials: PJ
authors.lastname: Sadler
authors.forename: Bayden R
authors.initials: BR
authors.lastname: Wood
authors.forename: Leone
authors.initials: L
authors.lastname: Spiccia
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry*; D009944:Organoplatinum Compounds / Q000737:chemistry*; D011355:Prodrugs / Q000737:chemistry*; D013057:Spectrum Analysis / Q000379:methods*
chemical_list: D000970:Antineoplastic Agents; D009944:Organoplatinum Compounds; D011355:Prodrugs