Theoretical approach to cationic polymerization of alkenylfurans. II. Ab initio and semiempirical study of relevant steps in the reaction mechanism

SCF ab initio and AM1 semiempirical calculations with full geometry optimization have been carried out to model the initial steps of alkenylfuran cationic polymerization. Semiempirical procedures have been used to model propagation steps. Proton affinities of the relevant neutral species as well as the heats of formation of probable dimers were calculated. The results allow the explanation of the experimental behavior. The capabilities of the employed methods to describe these type of processes is discussed. It is confirmed that competition between vinyl and ring site attacks is the most important feature in these systems. © 1992 John Wiley & Sons, Inc.     

Sur la compatibilité des extensions ponctuelles d'un matroïde

A natural sufficient condition for a finite family of single element extensions of a matroid to be compatible is given. Characterizations of all the finite extensions N of a matroid M(E) are given for which the rank function satisfies

$\text{ρ}{}_{\mathrm{N}}\text{(X)=}\text{Min}\text{Z?E}\text{{ρ}{}_{\mathrm{M}}\text{(Z)+|X?}\text{Z}{}^{\mathrm{N}}\text{|}}$

or equivalently the closure operator satisfies $\text{X}{}^{\mathrm{N}}\text{=}\text{X}{}^{\mathrm{N}}\text{? E}{}^{\mathrm{N}}\text{? X}$. The single element extensions and the principal extensions are examples of such matroids. The notion of a sheaf of flats of M. Las Vergnas is used in the proof of a new necessary and sufficient condition for two single element extensions of a matroid to be compatible. An initial announcement of part of these results appeared in R. Cordovil (C. R. Acad. Sci. Paris. A284 (1977), 1249–1252).     

Kinetic study of the reaction between hydroxylated polybutadienes and isocyanates. 1. Reaction with tolylene diisocyanate (TDI)

A comparative kinetic study of the reaction of three different hydroxylated liquid polybutadienes (M _n ? 3000) — R - 45M, R-45HT, and H-034—and tolylene diisocyanate (TDI), was carried out in toluene solution. An analytical method was used to follow the kinetics of the reactions at four different temperatures. The reactions presented an apparent second-order rate law. In the second-order plots, a discontinuity was observed. The R-45M polybutadiene was about twice more reactive than R-45HT and H-034; these latter two polybutadienes presented similar reactivities.     

3-Aryl-4-Isoquinolinone Derivatives An Efficient Oxidative Preparation

A comparative study of the oxidation of 3-aryl-4-hydroxytetrahydroisoquinolines has been carried out. A modification of the Jones conditions turn out to be the best methodology for the regioselective preparation of target 4-isoquinolinone derivatives.     

A PASE-based approach towards 12-(1H-1,2,3-triazol-1-yl)-indolo[2,1-a]isoquinolines via the reaction of 3-(isoquinolin-1-yl)-1,2,4-triazines with benzyne

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Generic Fredholm alternative-type results for the one dimensional p-Laplacian

In this paper we give a generic necessary and sufficient condition for the solvability of? Received November 1999     

Optimal Kα XRF detection geometry of arsenic in skin using an extended fundamental parameter method

The fundamental parameter (FP) method was extended to account for the geometrical details of experimental x‐ray fluorescence (XRF) detection. In the traditional FP method the primary fluorescence photons have parallel pathways towards the detector. In the new approach the primary fluorescence photons can travel in any direction which allows them to reach the detector if not absorbed or scattered. The derived XRF signal equation explicitly depends on the length of the collimator in front of the detector, the detector size, position and orientation. An algorithm which numerically calculates the XRF signal for any set of parameters was developed and implemented for the K_α XRF signal of arsenic in skin. Optimal positions and orientations of the detector and collimator ensemble which maximize the XRF signal were found. Results and limitations of the method were also discussed. Copyright © 2009 John Wiley & Sons, Ltd.     

Design and Synthesis of Some New Benzimidazole Containing Pyrazoles and Pyrazolyl Thiazoles as Potential Antimicrobial Agents

A new class of bis heterocycles‐benzimidazolyl pyrazoles were prepared from the Michael acceptor (E)‐3‐(1H‐benzimidazol‐2‐yl)‐1‐aryl‐prop‐2‐en‐1‐one. The thiamide group was exploited to develop thiazole ring on treatment with p‐fluorophenacyl bromide to get tris heterocycles. All the lead compounds were tested for antimicrobial activity. The compound 7d having nitro substituent on the aromatic ring showed greater antimicrobial activity particularly against Pseudomonas aeruginosa and Penicillium chrysogenum.