Nonlinear second-order equations with functional implicit impulses and nonlinear functional boundary conditions

In this paper we deal with nonlinear second-order boundary value problems with impulses. The impulsive functions depend implicitly on the different considered variables and the boundary value conditions are nonlinear. In both cases functional dependence on the solution is allowed. The existence results follow from the existence of a pair of well-ordered lower and upper solutions.     

Shadowing with multidimensional time in Banach spaces

We study linear dynamical systems with multidimensional time in Banach spaces. Using Taylor functional calculus we prove that under additional assumptions hyperbolic systems have shadowing property.     

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.     

An explosion point space without the fixed point property

In 1988 A. Gutek proved that there exist one-point connectifications of hereditarily disconnected spaces that do not have the fixed point property. We improve on this result by constructing a one-point connectification of a totally disconnected space without the fixed point property.     

A new approach towards peptidosulfonamides: synthesis of potential inhibitors of bacterial peptidoglycan biosynthesis enzymes MurD and MurE

Peptidosulfonamides are an emerging group of peptidomimetics with a variety of applications in medicinal chemistry. We present a novel approach to the synthesis of peptidosulfonamides, and apply it to a series of new potential inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurE. The synthesis was conducted via N-phthalimido β-aminoethanesulfonyl chlorides, which are new building blocks for the synthesis of peptidosulfonamides. In the most crucial step, sulfonic acids or their sodium salts were converted into the corresponding sulfonyl chlorides using an excess of either SOCl₂ or SOCl₂/DMF, and then coupled to the C-protected amino acid. None of the compounds significantly inhibited MurD, however, some inhibited MurE; one had an IC₅₀ below 200 μM, which constitutes a promising starting point for further development. Molecular modelling simulations were performed on two analogues to investigate the absence of inhibitory activity of the sulfonamide compounds on MurD.     

A Ramsey‐type result for the hypercube

We prove that for every fixed k and ? ≥ 5 and for sufficiently large n, every edge coloring of the hypercube Q_n with k colors contains a monochromatic cycle of length 2 ?. This answers an open question of Chung. Our techniques provide also a characterization of all subgraphs H of the hypercube which are Ramsey, that is, have the property that for every k, any k‐edge coloring of a sufficiently large Q_n contains a monochromatic copy of H. © 2006 Wiley Periodicals, Inc. J Graph Theory 53: 196–208, 2006     

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.