15 research outputs found

    Topological properties and electronic structures of compounds with pyrite-type crystal structures

    No full text
    SiP2, FeS2, and AuSb2 crystallize with pyrite structure. The structural topologies of the three compounds are comparable, while their constituting elements belong to very different groups of the periodic system of the elements. This fact motivates our interest in finding some criteria for the stability of their atomic arrangements. We used density functional methods (LCAO-CO Ansatz) to characterize the topological properties of the electron density: in addition to the results from theoretically determined structural parameters, band structures, and the electron localization function, the electronic charges of the corresponding atoms are calculated on the basis of Bader's zero-flux surface approach. It is shown, that charge transfer between the constituting elements of the pyrite structure is a characteristic feature of the structural stability in the title compounds. The detailed results on the partial density of states for all studied compounds finally allow the explanation of the theoretically determined density topology on the atomic level

    Properties of electronic spectra of antitumor-active dichlorobis(cycloalkylamine) platin(II) compounds

    No full text
    Complexes of PtCl₂(RNH₂)₂, with RNH, = cyclopropylamine, cyclobutylamine, cyclopentylamine, cyclohexylamine, cycloheptylamine and cyclooctylamine, are investigated as powder samples and in solution applying different spectroscopic methods (absorption, excitation, emission, emission lifetime). It is concluded that the involved low energy states are mainly of metal d character. All these complexes exhibit a similar spectroscopic behavior despite the strongly different properties of the PtCl₂(RNH₂)₂ compounds in tests against a cancer cell line. Moreover, crystallographic unit cells of the compounds are determined from powder diffraction measurements

    Arene-arene stacking in cis-bis[2-(2-thienyl)pyridine]platinum(II)

    No full text
    In the crystal structure of the title complex, [Pt(C₉H₆NS)₂], although the aromatic ligands are coordinated to a central heavy metal atom, T-shaped and shifted π-stacked arrangements of the aromatic moieties are preferred, leading to a sandwich herring-bone type of crystal-packing motif. The crystal structure is therefore consistent with the view that the arene-arene interactions are determined by electrostatics (multipole-multipole)

    [1,2-Bis(2-hydroxyphenyl)ethylenediamine]dichloroplatinum(II), a new compound for the therapy of ovarian cancer. II. Synthesis and preliminary testing of the enantiomeric complexes

    Get PDF
    The enantiomeric [1,2-bis(2-hydroxyphenyl)-ethylenediamine]dichloroplatinum(II) complexes were synthesized and their configuration assessed. A preliminary test in the cisplatin-resistant human NIH:OVCAR-3 ovarian cancer cell line, which was previously characterized by its sensitivity against several therapeutically used drugs, showed that both enantiomers produce cytocidal effects in a concentration of 2.5 microM. A difference between the enantiomers became evident from the faster onset of cytocidal activity of the S,S-configurated compound

    [1,2-Bis(2-hydroxyphenyl)ethylenediamine]dichloroplatinum(II), a new compound for the therapy of ovarian cancer. III. Detailed evaluation of the antitumor activity of the enantiomeric complexes on the human NIH:OVCAR-3 ovarian cancer cell line

    Get PDF
    The stereoisomeric [1,2-bis(2-hydroxyphenyl)ethylenediamine]dichloroplatinum(II) complexes were thoroughly tested on the cisplatin-resistant human NIH:OVCAR-3 ovarian cancer cell line. The racemate and its enantiomers produced cytocidal effects at a concentration of 2.5 microM (incubation time 256 h). The meso form, however, was merely cytostatically active. Differences between the enantiomers became evident after a short drug incubation time (1 h) followed by an incubation in drug-free medium (243 h). The S,S-configurated enantiomer (-)-3-PtCl2 proved to be the most active compound. To achieve cytocidal effects concentrations of 2.5-5.0 microM and incubation times of about 3 h were necessary for (-)-3-PtCl2. This compound is also sufficiently stable under test conditions as shown by the preincubation in cell-free medium for 3 h. These results and the augmentation of its antitumor activity by buthionine sulfoximine recommend the further preclinical development of (-)-3-PtCl2 for clinical use
    corecore