Substituent effect on inter-ring interaction in paracyclophanes

Molecular Diversity - The theoretical calculations, namely multipole-derived charge analysis, quantum theory of atom in molecules, and non-bonding interaction (NCI), were performed for...     

Modifying of etching anisotropy of silicon substrates by surface active agents

The influence of alcohol additives on etch rate anisotropy of Si(hkl) planes has been studied. The etching processes were carried out in 3 and 5 M KOH aqueous solutions saturated and non-saturated with alcohols. Isopropanol, 1-propanol and tert-butanol were examined. It has been showed that the etching process cannot be controlled only by the surface tension of the solution. Saturation of the etching solution with alcohols modifies etch rate anisotropy, lowering the ratio of the etch rate of (110) and vicinal planes to the etch rate of (100) plane. The morphology of Si(hkl) planes etched in 3 M KOH solution saturated with tert-butyl alcohol has been studied in detail. Smooth (331) and (221) planes have been achieved in this solution. The (100) plane turned out to be densely covered by hillocks, opposite to the (100) plane etched in weak-alkaline solution saturated with isopropanol. To explain this phenomenon, the mechanism of hillocks formation on Si(100) surface has been proposed.     

Convergence rates for the approximations of the solutions to algebraic Riccati Equations with unbounded coefficients: case of analytic semigroups

Summary Approximations schemes for the solutions of the Algebraic Riccati Equations will be considered. We shall concentrate on the case when the input operator is unbounded and the dynamics of the system is described by an analytic semigroup. The main goal of the paper is to establish the optimal rates of convergence of the underlying approximations. By optimal, we mean such approximations which would reconstruct the optimal regularity of the original solutions as well as the best approximation properties of the finite-dimensional subspaces. It turns out that, if one aims to obtain the optimal rates in the case of unbounded input operators, the choice of the approximations to the generator, as well as to the control operator, is very critical. While the convergence results hold with any consistent approximations, the optimal rates require a careful selection of the approximating schemes. Our theoretical results will be illustrated by several examples of boundary/point control problems where the optimal rates of convergence are achieved with the appropriate numerical algorithms.Research partially supported by the NSF Grant DMS-8301668 and by the AFOSR Grant AFOSR 89-0511     

Normal cones of monomial primes

We explicitly calculate the normal cones of all monomial primes which define the curves of the form , where . All of these normal cones are reduced and Cohen-Macaulay, and their reduction numbers are independent of the reduction. These monomial primes are new examples of integrally closed ideals for which the product with the maximal homogeneous ideal is also integrally closed.

Substantial use was made of the computer algebra packages Maple and Macaulay2.

     

Antiferroelectric phase transitions in single crystals PbZrO3:Sn revisited

This paper is a review of earlier results which have been completed with recent investigations on the nature and sequence of phase transitions evolving in the antiferroelectric PbZr_1–xSn_xO₃ single crystals (0 < x < 0.35). It was found that these crystals undergo several first-order phase transitions. To investigate these transitions, five experimental methods were used to characterize the crystal properties: birefringence, Raman light scattering, dielectric, thermodynamic and electromechanical methods, and the atomic force microscopy-piezoresponse force microscopy (AFM-PFM) method to focus also on nanoscale properties. Temperature dependencies have been tentatively measured in a wide range, including a region above T_C, where precursor dynamics is observed in the form of non-centrosymmetric regions existing locally in crystal lattices.

New experimental data (Raman light scattering and PFM) are presented mainly to revise the phase diagram and, at the same time, to complement other studies on the problem of pre-transitional effects. The phase transition mechanism in PbZr_1–xSn_xO₃ is discussed taking into account the incommensurability of crystal lattices, ferroelastic behavior of multicell cubic phases, electric field influence on antiferroelectric to ferroelectric transformation, and flexoelectric effect.     

Antioxidant Activities of Some New Chromonyl-2,4-Thiazolidinediones and Chromonyl-2,4-Imidazolidinediones Having Chromone Cores

The antioxidant properties of 11 new synthesized chromonyl-2,4-thiazolidinediones and chromonyl-2,4-imidazolidinediones (CBs) were investigated. The antioxidant activities and mechanisms of the CBs interaction with reactive oxygen species (ROS) were clarified using various in vitro antioxidant assay methods including superoxide anion radical ( $ \mathrm{O}\overline{{}_2^{\bullet }} $ ), hydroxyl radical (HO^?), 1,1-diphenyl-2-picryl-hydrazyl free radical (DPPH^?) scavenging activity and the iron (II)-ferrozine complex formation. The potassium superoxide/18-crown-6 ether dissolved in dimethylsulfoxide (DMSO) was applied as a source of superoxide anion radical. Hydroxyl radicals were produced in the Fenton-like reaction Fe(II)+H₂O₂. Chemiluminescence, spectrophotometry, and electron paramagnetic resonance (EPR) spectroscopy using 5,5-dimethyl-1-pyrroline-1-oxide (DMPO) as spin trap were applied as the measurement techniques. The CBs examined that exhibited good free radical scavenging activity also showed strong total antioxidant power capacity. Possible mechanisms of antioxidation are proposed to explain the differences in the experimental results between the chromone derivatives with imidazolidine-2,4-dione ring and those with thiazolidine-2,4-dione ring. In conclusion, some of the new CBs are promising to be applied as inhibitors of free radicals.     

[11]Anthrahelicene on TiO2 surfaces

Helicenes are carbon-rich materials with an ordered structure that possess interesting and remarkable electronic, chiroptical, mechanical and magnetic properties either in bulk or as single molecule devices. We report on the first attempt to anchor and organize [11]anthrahelicene ([11]AH) molecules onto a metal oxide surface. Molecular structures obtained on the (110) and (011) faces of rutile titania are characterized using scanning probe microscopy. On the (110) surface, [11]AH molecules form islands that are comprised of small domains of two types that are mirror reflections of each other and have an ordered quasi-hexagonal lattice. In contrast, molecules form unordered clusters on the (011) surface. Single molecules on both faces are imaged with sub-molecular resolution.