A case of concomitant polymorphism and spontaneous resolution: the tetragonal phase of 5‐hydroxymethyl‐7,7,N‐trimethyl‐6‐oxabicyclo[3.2.1]octane‐1‐carboxamide

The title compound, C₁₂H₂₁NO₃, crystallizes in two polymorphic forms, viz. the tetragonal form described here and the monoclinic form described previously [Foces‐Foces, López‐Rodríguez, Pérez, Martín & Pérez‐Hernández (2007). Cryst. Growth Des. 7 , 905–911]. The differences in the conformations of the hydroxymethyl and methylaminocarbonyl substituents have important consequences in the hydrogen‐bond interaction motifs and, therefore, in the packing arrangements. These forms are concomitant polymorphs with melting points differing by 3 K.     

A sequential injection system for the spectrophotometric determination of calcium, magnesium and alkalinity in water samples.

A sequential injection methodology for the spectrophotometric determination of calcium, magnesium and alkalinity in water samples is proposed. A single manifold is used for the determination of the three analytes, and the same protocol sequence allows the sequential determination of calcium and magnesium (the sum corresponds to the water hardness). The determination of both metals is based on their reaction with cresolphtalein complexone; mutual interference is minimized by using 8-hydroxyquinoline for the determination of calcium and ethylene glycol-bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid (EGTA) for the determination of magnesium. Alkalinity determination is based on a reaction with acetic acid, and corresponding color change of Bromcresol Green. Working ranges of 0.5 - 5 mg dm(-3) for Ca, 0.5 - 10 mg dm(-3) for Mg, and 10 - 100 mg HCO3- dm(-3), for alkalinity have been achieved. The results for water samples were comparable to those of the reference methods and to a certified reference water sample. RSDs lower than 5% were obtained, a low reagent consumption and a reduced volume of effluent have been accomplished. The determination rate for calcium and magnesium is 80 h(-1), corresponding to 40 h(-1) per element, while 65 determinations of alkalinity per hour could be carried out.     

On the existence and the stability of solutions for higher-order semilinear Dirichlet problems

We investigate the existence and stability of solutions for higher-order two-point boundary value problems in case the differential operator is not necessarily positive definite, i.e. with superlinear nonlinearities. We write an abstract realization of the Dirichlet problem and provide abstract existence and stability results which are further applied to concrete problems.     

Structure of norbornene-fused 3,1-oxazine double cycloadducts

Pentacyclic isoxazolines were obtained by the cycloaddition of benzonitrile oxide to norbornene-azetidinone-fused 3,1-oxazines. The constitutions of two of the isomers obtained, and the configurations and conformations of all products, were determined by means of ¹H and ¹³C NMR spectroscopy and DNOE experiments.     

Superposition, Entanglement, and Product of States

The superposition relation extended to the statistical operators is shown to be invariant under tensor product and partial trace operations. Particular mathematical examples of superposition are characterized as well as the nature of the Schmidt decomposition of pure states superposition of other pure states.     

Interpretation of the polyelectrolyte and antipolyelectrolyte effects of poly(N‐vinylimidazole‐co‐sodium styrenesulfonate) hydrogels

Hydrogels of N‐vinylimidazole (VI) and sodium styrenesulfonate (SSS) were synthesized in aqueous solution by radical crosslinking copolymerization with N,N′‐methylene‐bis(acrylamide) as crosslinker. Swelling in several saline solutions was measured for hydrogel samples synthesized with different comonomer concentrations (C_T = 10, 25, or 40%) and with SSS mole fractions covering a broad range (f_SSS = 0–0.7), while the crosslinker ratio was 2 wt % in all cases. The degree of swelling in aqueous solution with a specific ionic strength (μ), plotted versus the SSS composition of the feed, shows a minimum for any set of samples synthesized with a fixed C_T. The dependence of swelling on μ shows both polyelectrolyte (f_SSS beyond the minimum) and antipolyelectrolyte behaviors (in the low f_SSS limit). It was found that the nonGaussian factor of the crosslinking density and the polymer‐solvent interaction parameter increase with f_SSS for any C_T. Moreover, in the low f_SSS limit, the osmotic swelling pressure is governed not only by the ionic contribution, but also by the polymer‐solvent mixing and, the concentration of mobile counterions inside the gel is not proportional to the net fixed charge but to the addition of cationic and anionic side groups, what discards the formation of ionic pairs. The antipolyelectrolyte effect is interpreted as due to the increasing protonation of VI as μ goes up. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1683–1693, 2007     

Radiation heterogeneous processes of14C-acetic acid adsorbed in Na-Montmorillonite

This research addresses itself to the study of the mechanism of the acetic acid decarboxylation in Na-Montmorillonite exposed to ionizing radiation. The results obtained indicated that the decarboxylation reaction is enhanced several times by the irradiation. This behavior is probably due to an oxidation reaction at the edges of the clay. Also it is by energy transfer from the clay to adsorbed molecules by an interaction of non-equilibrium charge carriers with the adsorbed molecules.     

The liquid-crystalline properties of bis[N-[[4-[4-(alkoxy)benzoyloxy]2-hydroxyphenyl]methylene]alkanamino] complexes of Cu(II), Pd(II) and Ni(II). A general view

The thermotropic liquid-crystalline phase behaviour of a homologous set of bis[N-[[4-[4-(alkoxy)benzoyloxy]2-hydroxyphenyl]methylene]alkanamino] copper(II) complexes is examined. New data are reported and taken into account in addition to those previously reported in this Journal. The influence of alkoxy and alkanamine groups on the nature and stability of the mesophase is underlined. As a general trend, with some notable exception, smectic (C type) mesomorphism is favoured by longer alkoxy and alkanamine chains. Data concerning some Pd(II) and Ni(II) homologous complexes are also reported. The mesophase stability (nematic phase) is higher for palladium and nickel complexes than for the copper containing homologues.     

Assessment of some iterative methods for non-symmetric linear systems arising in computational fluid dynamics

Various tests have been carried out in order to compare the performances of several methods used to solve the non-symmetric linear systems of equations arising from implicit discretizations of CFD problems, namely the scalar advection-diffusion equation and the compressible Euler equations. The iterative schemes under consideration belong to three families of algorithms: relaxation (Jacobi and Gauss-Seidel), gradient and Newton methods. Two gradient methods have been selected: a Krylov subspace iteration method (GMRES) and a non-symmetric extension of the conjugate gradient method (CGS). Finally, a quasi-Newton method has also been considered (Broyden). The aim of this paper is to provide indications of which appears to be the most adequate method according to the particular circumstances as well as to discuss the implementation aspects of each scheme.     

Recycling in telomerization of butadiene with D‐xylose: Pd(TPPTS)n‐KF/Al2O3 as an active catalyst

A palladium‐TPPTS catalyst heterogenized on KF/alumina has been shown to be effective and recyclable for the selective formation of monooctadienylxylopyranosides via the telomerization of butadiene with D ‐xylose. Copyright © 2007 John Wiley & Sons, Ltd.