Design of two-dimensional random surfaces with specified scattering properties

A method is proposed for designing a two-dimensional randomly rough Dirichlet surface that, when illuminated at normal incidence, scatters a scalar plane wave with a specified angular distribution of its intensity. The method is validated by computer simulation calculations.     

Evidences of the origin of N2O in the high-temperature NH3 oxidation over Pt-Rh gauze

Transient isotopic experiments reveal that the mechanism of N2O formation in the high-temperature NH3 oxidation over Pt-Rh gauze involves the reaction of adsorbed ammonia intermediate species (NHx) and NO.     

Transferability of fragmental contributions to the octanol/water partition coefficient: an NDDO-based MST study

This study examines the transferability of fragmental contributions to the octanol/water partition coefficient. As a previous step, we report the parameterization of the AM1 and PM3 versions of the MST model for n-octanol. The final AM1 and PM3 MST models reproduce the experimental free energy of solvation and the octanol/water partition coefficient (log P(ow)) with a root-mean-square deviation of around 0.7 kcal/mol and 0.5 (in units of log P), respectively. Based on this parameterization, an NNDO-based procedure is presented to dissect the free energy of transfer between octanol and water in contributions directly associated with specific atoms or functional groups. The application of this procedure to a set of representative molecular systems illustrates the dependence of the log P(ow) fragmental contribution due to electronic, hydrogen bonding, and steric effects, which cannot be easily accounted for in simple additive-based empirical schemes. The results point out the potential use of theoretical methods to refine the fragmental contributions in empirical methods.     

Photobleaching of Orange II within seconds using the oxone/Co2+ reagent through Fenton-like chemistry

The bleaching and photobleaching of Orange II due to oxone was observed to proceed within seconds due to the catalytic effect of the Co2+ ions added in solution.     

Steam-activated FeMFI zeolites as highly efficient catalysts for propane and N2O valorisation via oxidative conversions

The reaction between C3H8 and N2O over steam-activated FeMFI zeolites leads to high yields towards propene (24%) and propionaldehyde (6%) at 773-798 K.     

(Tl[Au(C(6)Cl(5))(2)])(n): A vapochromic complex

The X-ray structure of (Tl[Au(C(6)Cl(5))(2)])(n), 1, consists of 1-D linear polymer chains parallel to the crystallographic z axis. The crystal structure of 1 has channels that run parallel to these chains with interatom distances in the range 3.231-4.076 A. There are holes in these channels with diameters as large as 10.471 A, which can accommodate a variety of solvents. Complex 1 displays reversible vapochromic emission and absorption spectral behavior when the solid is exposed to a variety of organic vapors such as acetone, acetonitrile, triethylamine, acetylacetone, tetrahydrothiophene, 2-fluoropyridine, tetrahydrofuran, and pyridine. Complex 1 is luminescent at room temperature and at 77 K in the solid state. UV excitation at 495 nm leads to an emission at 531 nm.     

Adhesion Forces between LewisX Determinant Antigens as Measured by Atomic Force Microscopy

No Abstract     

Darboux integrability and the inverse integrating factor

We mainly study polynomial differential systems of the form dx/dt=P(x,y), dy/dt=Q(x,y), where P and Q are complex polynomials in the dependent complex variables x and y, and the independent variable t is either real or complex. We assume that the polynomials P and Q are relatively prime and that the differential system has a Darboux first integral of the form

     

Multiresolution Analysis and Radon Measures on a Locally Compact Abelian Group

A multiresolution analysis is defined in a class of locally compact abelian groups G. It is shown that the spaces of integrable functions and the complex Radon measures M(G) admit a simple characterization in terms of this multiresolution analysis.