2‐Amino‐4‐chloro‐6‐[N‐methyl‐N‐(4‐methylphenyl)amino]pyrimidine: formation versus fragmentation of hydrogen‐bonded chains of edge‐fused R22(8) rings in 4,6‐disubstituted 2‐aminopyrimidines

Molecules of the title compound, C₁₂H₁₃ClN₄, are linked by two independent N—H...N hydrogen bonds into a chain of edge‐fused R₂²(8) rings. The significance of this study lies in its attempt to rationalize the patterns of supramolecular aggregation in the title compound and in a range of analogous 4,6‐disubstituted 2‐aminopyrimidines.     

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.     

X-ray diffraction study of some mesogenic copper, nickel and vanadyl complexes

We present a comparative study of various metallomesogenic complexes, using X-ray diffraction methods. For a given ligand linked to different metal atoms (Cu, Ni, VO), the nature of this central atom influences mainly the magnetic susceptibilities of the mesophases. With different ligands, which keep the close neighbourhood of the metal atom unchanged, the apparent length of the mesogenic unit is longer for short ligands than for longer ones. This unexpected behaviour is qualitatively well explained by taking into account the global shape of the different complexes.     

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.     

Multicommuted fluorometric multiparameter sensor for simultaneous determination of naproxen and salicylic acid in biological fluids.

A combined approach based on solid-phase optosensing and multicommutation principles has been applied to develop a method for the simultaneous analysis of two pharmaceuticals (naproxen and salicylic acid) in biological fluids. The multicommuted flow-through optosensor was based on direct native fluorescence measurements of both analgesics using a non-polar sorbent (C18 silica gel) as a solid sensing zone. The flow system was controlled by Java-written home-made software and designed using three-way solenoid valves for an independent automated manipulation of sample and carrier solutions. Using an optimized sampling time, the method was calibrated in the range of 1 - 25 and 5 - 200 ng mL(-1). The obtained detection limits were 0.3 and 1.3 ng mL(-1) for naproxen and salicylic acid, respectively, with RSD (%) values of better than 2% for both analytes. The proposed methodology was successfully applied to urine, serum and pharmaceutical preparations. Recovery percentages ranging from 96.1 to 104% were obtained for both analytes.     

The phase diagram of the lyotropic nematic mesophase in the TTAB/NaBr/water system

The phase diagram of the nematic mesophase present in the tetradecyltrimethylammonium bromide/sodium bromide/water ternary system was determined. A calamitic nematic mesophase (N_C) was observed which extends to very high concentrations of electrolyte. The order parameters of the surfactant head group in the mesophases were studied by the NMR quadrupolar splitting of the deuterated surfactant. On increasing the temperature of nematic mesophases with low electrolyte concentrations, a phase separation occurs with the formation of a more highly ordered hexagonal phase and an isotropic phase. Diffusion measurements of the isotropic micellar solution by the NMR PFG method were used to estimate hydrodynamic radii at low surfactant concentrations and to study micelle diffusion as the concentration of the surfactant was increased to the liquid crystalline region. At higher surfactant concentrations, the diffusion coefficient reached a limiting value. The calamitic nematic mesophase in this surfactant/electrolyte/water system appears to be formed by long wormlike micelles.     

Vinyl‐terminated side‐chain liquid‐crystalline polyethers containing mesogenic benzylideneaniline moieties

The synthesis of two vinyl‐terminated side‐chain liquid‐crystalline polyethers containing benzylideneaniline moieties as mesogenic cores was approached in two different ways: by chemically modifying poly(epichlorohydrin) with suitable mesogenic acids or by polymerizing analogous glycidyl ester or glycidyl ether derivatives. In all the conditions tested, the first approach led to materials in which the imine group was hydrolyzed. The second approach led to the desired polymers PG2a and PG2b , but only from the glycidyl ether derivatives and when the initiator was the system that combined polyiminophosphazene base t‐Bu‐P₄ and 3,5‐di‐t‐butylphenol. These polymers were chemically characterized by IR and ¹H and ¹³C NMR spectroscopies. The estimated degrees of polymerization ranged from 30 to 36. The liquid crystalline behavior of the synthesized polymers was studied by differential scanning calorimetry, polarized optical microscopy (POM) and X‐ray diffraction. Both polymers behave like liquid crystals and exhibited a single mesophase, which was recognized as a smectic C mesophase, probably with a bilayer arrangement, i.e., a smectic C₂ mesophase. The crosslinking of both polymers was performed with dicumyl peroxide as initiator, which led to liquid crystalline thermosets. POM and X‐ray diffraction confirmed that the mesophase organization mantained on the crosslinked materials. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 1877–1889, 2006     

Kac-Moody group representations and generalization of the Sugawara construction of the Virasoro algebra

We discuss the dynamical structure of the semidirect product of the Virasoro and affine Kac-Moody groups within the framework of a group quantization formalism. This formalism provides a realization of the Virasoro algebra acting on Kac-Moody Fock states which generalizes the Sugawara construction. We also give an explicit construction of the standard Kac-Moody group representations associated with strings on SU(2) and recover, in particular, the renormalization factor of L(z) Research partially supported by the Conselleria de Cultura de la Generalitat Valenciana, the Plan de Formacion del Personal Investigador, the Comision Asesora de Investigacion Cientifica y Tecnica (CAICYT), and The British Council.