Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study

Orotic acid (vitamin B₁₃) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions. cis-Diammine(orotato)platinum(II), cis-[Pt(C₅H₂N₂O₄)(NH₃)₂] can be considered as a new potential cisplatin analogue. The FT-Raman and FT-IR spectra of the title complex are reported, for the first time. The molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method. The detailed vibrational assignment has been made on the basis of the calculated potential energy distribution. The theoretically predicted IR and Raman spectra show very good agreement with experiment. Natural bond orbital (NBO) analyses were performed for cisplatin, carboplatin and the title complex. The results provided new data on the nature of platinum–ligand bonding in these compounds. Strong intramolecular hydrogen bond between the orotate ligand and the coordinated ammonia group stabilizes the structure of the platinum(II) complex. Thus, it is suggested that the orotate ligand in the title complex is more inert to the substitution reactions than the chloride ligands in cisplatin.     

The Transition Products in Substitutional Photochemistry of [Mo(CN)8]4− – Theoretical Approach. X-ray Crystal Structure of (AsPh4)[W(bpy)(CN)6]

The single crystal X-ray structure of (AsPh₄)[W(bpy)(CN)₆] is described. The structure of octa- and hepta-coordinated intermediates of substitutional photolysis of [Mo(CN)₈]⁴⁻ ion in aqueous media were determined by performing semi-empirical calculations. On the basis of obtained results as well as on empirical data the photolysis scheme has been postulated.     

Nontrivial Solutions for Resonant Hemivariational Inequalities

We study a resonant semilinear elliptic hemivariational inequality. Under some assumptions of strong resonance on the Clarke subdifferential of the superpotential, and using nonsmooth critical point theory, the existence of a nontrivial solution of the problem is shown. This paper has been partially supported by the State Committee for Scientific Research of Poland (KBN) under research grants no. 2 P03A 003 25 and no. 4 T07A 027 26.     

Invariant measures for equicontinuous semigroups of continuous transformations of a compact Hausdorff space

Equicontinuous semigroups of transformations of a compact Hausdorff space and their sets of all invariant (Borel, regular and probabilistic) measures are studied. Conditions equivalent to the existence of at least one invariant measure are given. The (algebraic and topological) structure of the set of invariant measures is researched.     

Experimental study of light diffraction by standing ultrasonic wave with cylindrical symmetry

We report a new acousto-optic arrangement based on ultrasonic wave with cylindrical symmetry. The theory of light interaction with standing cylindrical ultrasonic wave is experimentally verified in the Fraunhofer region. A very good agreement of experimental results with numerical calculations based on the proposed theory is found. The diffraction pattern consists of ring-shaped diffraction orders which posses a fine structure. The time average light intensity of the whole zeroth diffraction order as a function of the Raman-Nath parameter is investigated. The modulation properties of presented system are examined by means of single photon counting technique. Finally, some potentially useful applications in the laser and fibre technology are suggested.     

Internal conical refraction of Bessel light beams

The internal conical refraction of a Bessel beam of arbitrary order is studied theoretically. It is shown that a beam of the order m of arbitrary polarization in the general case is partially converted to Bessel beams of the order m ± 1 with orthogonal circular polarizations. Conditions for complete conversion of a beam of the order m to a Bessel beam of the order m?1 or m+1 are determined.     

On exactness and isoperimetric profiles of discrete groups

We introduce a quasi-isometry invariant related to Property A and explore its connections to various other invariants of finitely generated groups. This allows to establish a direct relation between asymptotic dimension on one hand and isoperimetry and random walks on the other. We apply these results to reprove sharp estimates on isoperimetric profiles of some groups and to answer some questions in dimension theory.     

Jacobians of Symmetric Polynomials

Annals of Combinatorics - We give the Jacobian of any family of complete symmetric functions, or of power sums, in a finite number of variables.     

Characterization of continuous distributions in terms of moments of extremal statistics

We give characterizations of continuous distributions in terms of moments of order statistics when the sample size is random. In particular, we characterize uniform, exponential, Pareto, and logistic distributions. Special cases of a random sample size (logarithmic series, geometrical, truncated binomial, truncated negative binomial, and truncated Poisson distribution) are also considered. Proceedings of the XVII Seminar on Stability Problems for Stochastic Models, Kazan, Russia, 1995, Part I.