title: Inelastic neutron scattering study of Pt(II) complexes displaying anticancer properties.
abstract: The well-known platinum(II) chemotherapeutic drugs cisplatin [cis-(NH(3))(2)PtCl(2)] and carboplatin [Pt(NH(3))(2)C(6)O(4)H(6)], as well as the analogous transplatin [trans-(NH(3))(2)PtCl(2)], were studied by inelastic neutron scattering (INS) spectroscopy, coupled to quantum mechanical methods, and some ancillary work with X-ray diffraction on powders. An assignment of the experimental spectra was carried out based on the calculated INS transition frequencies and intensities (at the DFT level), thereby achieving a good correspondence between the calculated and observed data. Unusually good-quality INS spectra were obtained from about 250 mg, which is the smallest sample of a hydrogenous compound for which a successful INS interpretation has been reported. The knowledge of the local configuration of this kind of complexes is essential for an accurate understanding of their activity, which will pave the way for the rational design of novel third-generation drugs comprising cisplatin- and carboplatin-like moieties.
authors.affiliation: Unidade I&D Química-Física Molecular, University of Coimbra, Rua Larga, 3004-535 Coimbra, Portugal. labc@ci.uc.pt
authors.forename: Luís A E Batista
authors.initials: LA
authors.lastname: de Carvalho
authors.forename: M Paula M
authors.initials: MP
authors.lastname: Marques
authors.forename: Christine
authors.initials: C
authors.lastname: Martin
authors.forename: Stewart F
authors.initials: SF
authors.lastname: Parker
authors.forename: John
authors.initials: J
authors.lastname: Tomkinson
mesh_terms: D000970:Antineoplastic Agents / Q000737:chemistry*; D016190:Carboplatin / Q000737:chemistry; D002945:Cisplatin / Q000737:chemistry; D056831:Coordination Complexes / Q000737:chemistry*; D033363:Neutron Diffraction; D010984:Platinum / Q000737:chemistry*; D053838:Scattering, Small Angle
chemical_list: D000970:Antineoplastic Agents; D056831:Coordination Complexes; D010984:Platinum; D016190:Carboplatin; D002945:Cisplatin