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.     

GeneralizedG-theory

A generalization of theG-theory defined by A. Heilet al. is presented.     

Plasma-driven inflation

The possibility of inflation without any genuine scalar is discussed. It is suggested that drops of primordial plasma may drive inflation. The model, although naive, is consistent with observational data.     

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.     

IR finite one-loop box scalar integral with massless internal lines

The IR finite one-loop box scalar integral with massless internal lines has been recalculated. The result is very compact, simple and valid for arbitrary values of the relevant kinematic variables. It is given in terms of only two dilogarithms and a few logarithms, all of very simple arguments. Received: 31 January 2002 / Published online: 26 April 2002     

Alloy formation in mechanically activated mixtures

The physical mixtures of hydroxocarbonates of Cu and Ni with aluminium were activated using a laboratory planetary mill. The chemical reactions and alloy formations as the effects of grinding were followed by the phase analysis of solid products based on the thermogravimetry and X-ray diffractometry. Experimental evidence indicates that the nature of reactions and products of mechanical activation was dependent on the amount of aluminium and time of grinding. This revised version was published online in July 2006 with corrections to the Cover Date.     

Two Hadamard matrices of order 956 of Goethals-Seidel type

No Hadamard matrices of order 956 appear in the literature. In this note we construct two such matrices. They are both of Goethals-Seidel type. As a consequence of this and of a result of Seberry and Yamada, we conclude that there exist 4-Williamson type matrices of order 1913.This work was supported by NSERC of Canada Grants A-5285 and EQP0107539.     

Physical Analysis of a Possibility to Reach the 1.30-μm Emission from the GaAs-Based VCSELs with the InGaAs/GaAs Quantum-Well Active Regions and the Intentionally Detuned Optical Cavities

Physical aspects of an operation of the GaAs-based InGaAs/GaAs quantum-well (QW) VCSELs with the intentionally detuned optical cavities have been considered in the present paper using the comprehensive three-dimensional self-consistent optical–electrical–thermal-gain simulation. In GaAs-based structures, very good DBR resonator mirrors and a very efficient methods to confine radially both the current spreading and the electromagnetic field with the aid of oxide apertures may be applied. It has been found using the above simulation that even currently available immature technology enables manufacturing the above devices emitting radiation of wavelengths over 1.20 μm. In particular, while the room-temperature 1.30-μm lasing emission is still beyond possibilities of the InGaAs/GaAs QW VCSELs, these structures may offer analogous 1.25-μm emission, especially for the high-power and/or high-temperature operation.     

Interpolation of Bilinear Operators Between Quasi-Banach Spaces

We study interpolation, generated by an abstract method of means, of bilinear operators between quasi-Banach spaces. It is shown that under suitable conditions on the type of these spaces and the boundedness of the classical convolution operator between the corresponding quasi-Banach sequence spaces, bilinear interpolation is possible. Applications to the classical real method spaces, Calderón-Lozanovsky spaces, and Lorentz-Zygmund spaces are presented. The author is supported by the National Science Foundation under grant DMS 0099881. The author is supported by KBN Grant 1 P03A 013 26.