High-density properties of hard spheres within a modified Percus-Yevick theory: The role of thermodynamic consistency

Using an integral-equation approach based upon an approximation for the tail function, the equilibrium properties of a system of hard spheres are studied with special concern for the behavior in the region of close packing. The closure adopted is such that full, internal consistency is ensured in the thermodynamics of the model with respect to both the two zero-separation theorems as well as to the more standard virial and fluctuation routes to the equation of state. The scheme also makes use of the continuity properties of the tail function and of the cavity distribution function at contact. These properties are explictly tested in the low-density limit up to the fourth derivative. The theory generates an equilibrium branch bounded on the high-density side by a point corresponding to a packing fraction0.78, a value which closely matches Rogers' least upper bound for the densest packing of spheres. The pair structure of the fluid in the state of random close packing is also compared to the type of local order predicted by the theory at similar densities.     

Dewetting of unreacted epoxy/amine mixtures on silica

We employ a direct method, time-of-flight secondary ion mass spectroscopy (ToF-SIMS), to determine experimentally the chemical compositions of the wetted and dewetted regions of an uncured epoxy thin film. Determining the composition of the dewetted region indicated the presence of a very thin sublayer of resin in what was thought to be a region devoid of resin. The capability of ToF-SIMS to probe small 65 x 65 microm(2) areas of the surface has permitted us to directly compare the SIMS spectra of the wetted and dewetted regions to the survey spectra of the reactants. This may indicate the strength of resin/silica interactions, which determine interface formation and properties.     

Synthesis and characterisation of nonclassical ruthenium hydride complexes containing chelating bidentate and tridentate phosphine ligands

The synthesis and characterisation of nonclassical ruthenium hydride complexes containing bidentate PP and tridentate PCP and PNP pincer-type ligands are described. The mononuclear and dinuclear ruthenium complexes presented have been synthesised in moderate to high yields by the direct hydrogenation route (one-pot synthesis) or in a two-step procedure. In both cases [Ru(cod)(metallyl)(2)] served as a readily available precursor. The influences of the coordination geometry and the ligand framework on the structure, binding, and chemical properties of the M--H(2) fragments were studied by X-ray crystal structure analysis, spectroscopic methods, and reactivity towards N(2), D(2), and deuterated solvents.     

Existence and regularity for a chemotaxis model involved in the modeling of multiple sclerosis

We study in this work the global existence of solutions to a system of reaction cross diffusion equations appearing in the modeling of multiple sclerosis, in the one-dimensional case. Weak solutions are obtained for general initial data, and existence, uniqueness, stability and smoothness are proven when initial data are smooth.

     

A class of piecewise interpolating functions based on barycentric coordinates

Piecewise interpolation methods, as spline or Hermite cubic interpolation methods, define the interpolant function by means of polynomial pieces and ensure that some regularity conditions are guaranteed at the break-points. In this work, we propose a novel class of piecewise interpolating functions whose expression depends on the barycentric coordinates and a suitable weight function. The underlying idea is to specialize to the 1D settings some aspects of techniques widely used in multi-dimensional interpolation, namely Shepard’s, barycentric and triangle-based blending methods. We show the properties of convergence for the interpolating functions and discuss how, in some cases, the properties of regularity that characterize the weight function are reflected on the interpolant function. Numerical experiments, applied to some case studies and real scenarios, show the benefit of our method compared to other interpolant models.     

Human proteome enhancement: high-recovery method and improved two-dimensional map of colostral fat globule membrane proteins.

The human milk fat globule membrane protein composition is still largely unknown, although it counts for 2-4% of the total milk protein content and contains several important biologically active components. The aim of this work was to create a two-dimensional electrophoresis (2-DE) map of the human milk fat globule membrane proteins, both integral and membrane-associated, and to identify and characterize as many protein components as possible. A new protocol for the solubilization and extraction of the human milk fat globule membrane proteins with a double extraction procedure is presented, and the results compared with the extraction methods reported in the literature. The proteins were separated, in the first dimension, by isoelectric focusing (IEF) in the pH range 3-10 on strips of 13 cm length and, in the second dimension, by Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) on 11.5% T homogeneous gels. A reproducible 2-DE map of integral and membrane-associated proteins was obtained and the first 23 spots, representing the major components, were identified by matrix assisted laser desorption/ionization-time of flight (MALDI-TOF) mass spectrometric analysis and/or by amino acid sequencing.     

Structure in protein solution changing the pH

Summary In this paper we present a small-angle neutron scattering measurement on concentrated aqueous solutions of lysozyme. The ranges for thepH and for the ionic strength of the solutions are chosen in order to match the physiological values at which the enzymatic activity of the protein is at his maximum. The net charge has been determined by separate tritation experiment. The form factor and the structure factor were extracted from the experimental data. The structure factor is quantitatively reproduced within a hard-sphere model with an attractive Yukawa-tail potential. The importance in this kind of systems of the attractive interaction, even at far from zero net charge is highlighted. Paper presented at the I International Conference on Scaling Concepts and Complex Fluids, Copanello, Italy, July 4–8, 1994.     

The projective rank of a Hermitian symmetric space: A geometric approach and consequences

The “Projective Rank” of a compact connected irreducible Hermitian symmetric space M has been defined as the maximal complex dimension of the compact totally geodesic complex submanifolds having positive holomorphic bisectional curvature with the induced K?hler metric. We present a geometric way to compute this invariant for the space M based on ideas developed in [1], [13] and [14]. As a consequence we obtain the following inequality relating the Projective Rank, the usual rank, and the 2-number (which is known to be equal to the Euler-Poincare characteristic in these spaces). Received: 6 June 2000 / Revised version: 6 August 2001 / Published online: 4 April 2002     

Photoactive Eu(III) and Tb(III) complexes of calix[4]arenes with pyridine-N-oxide pendant groups

Two calix[4]arenes with four 2-pyridyhnethyl-l-oxide pendant groups at the lower rim have been synthesized, and their Tb(III) and Eu(III) complexes are fluorescent upon UV light excitation at 312 nm. The complexes are not stable in aqueous solution, completely losing their luminescent properties.