Intersection numbers for coherent configurations and the spectrum of a graph

It is shown that the intersection numbers of a coherent configuration are closely related to the determinant of a generic matrix for the corresponding adjacency algebra. This is important as both concepts provide isomorphism invariants for graphs.     

Immobilized TiO<Subscript>2</Subscript> nanoparticles produced by flame spray for photocatalytic water remediation

Anatase/rutile mixed-phase titanium dioxide (TiO₂) photocatalysts in the form of nanostructured powders with different primary particle size, specific surface area, and rutile content were produced from the gas-phase by flame spray pyrolysis (FSP) starting from an organic solution containing titanium (IV) isopropoxide as Ti precursor. Flame spray-produced TiO₂ powders were characterized by means of X-ray diffraction, Raman spectroscopy, and BET measurements. As-prepared powders were mainly composed of anatase crystallites with size ranging from 7 to 15 nm according to the synthesis conditions. TiO₂ powders were embedded in a multilayered fluoropolymeric matrix to immobilize the nanoparticles into freestanding photocatalytic membranes. The photocatalytic activity of the TiO₂-embedded membranes toward the abatement of hydrosoluble organic pollutants was evaluated employing the photodegradation of rhodamine B in aqueous solution as test reaction. The photoabatement rate of best performing membranes significantly overcomes that of membranes produced by the same method and incorporating commercial P25-TiO₂.     

Backbone-only restraints for fast determination of the protein fold: the role of paramagnetism-based restraints. Cytochrome b562 as an example

CH(alpha) residual dipolar couplings (Deltardc's) were measured for the oxidized cytochrome b562 from Escherichia coli as a result of its partial self-orientation in high magnetic fields due to the anisotropy of the overall magnetic susceptibility tensor. Both the low spin iron (III) heme and the four-helix bundle fold contribute to the magnetic anisotropy tensor. CH(alpha) Deltardc's, which span a larger range than the analogous NH values (already available in the literature) sample large space variations at variance with NH Deltardc's, which are largely isooriented within alpha helices. The whole structure is now significantly refined with the chemical shift index and CH(alpha) Deltardc's. The latter are particularly useful also in defining the molecular magnetic anisotropy parameters. It is shown here that the backbone folding can be conveniently and accurately determined using backbone restraints only, which include NOEs, hydrogen bonds, residual dipolar couplings, pseudocontact shifts, and chemical shift index. All these restraints are easily and quickly determined from the backbone assignment. The calculated backbone structure is comparable to that obtained by using also side chain restraint. Furthermore, the structure obtained with backbone only restraints is, in its whole, very similar to that obtained with the complete set of restraints. The paramagnetism based restraints are shown to be absolutely relevant, especially for Deltardc's.     

Effect of signal intensity normalization on the multivariate analysis of spectral data in complex ‘real‐world’ datasets

Spectral signal intensities, especially in ‘real‐world’ applications with nonstandardized sample presentation due to uncontrolled variables/factors, commonly require additional spectral processing to normalize signal intensity in an effective way. In this study, we have demonstrated the complexity of choosing a normalization routine in the presence of multiple spectrally distinct constituents by probing a dataset of Raman spectra. Variation in absolute signal intensity (90.1% of total variance) of the Raman spectra of these complex biological samples swamps the variation in useful signals (9.4% of total variance), degrading its diagnostic and evaluative potential. Using traditional spectral band choices, it is shown that normalization results are more complex than generally encountered in traditionally designed sample sets investigating limited chemical species. We demonstrate that no choice of a single band proves to be appropriate for predicting all the reference parameters, instead requiring a tailored normalization routine for each parameter. Of the reference parameters studied in the chosen system, signals from pathogenic adducts in ocular tissues called advanced glycation endproducts were most prominent when normalizing about the 1550–1690 cm⁻¹ region of the spectrum (17.5% of total variance, compared with 0.3% for unnormalized), while prediction of pentosidine and gender were optimized by normalization about the 1570 (R² = 0.97 vs 0.57 for unnormalized) and 1003 cm⁻¹ (p < 0.0000001 vs p < 0.01 for unnormalized) bands, respectively. The data obtained point to the extreme sensitivity of multivariate analysis to signal intensity normalization. Some general guidelines for making appropriate band choices are given, including the use of peak‐finding routines. Copyright © 2008 John Wiley & Sons, Ltd.     

Detecting positive feedback in multivariate time series: The case of metal prices and US inflation

The objective of this paper is to examine causality and feedback relationships between primary commodity prices and US inflation. To this end, the bivariate noisy Mackey–Glass process recently developed by Kyrtsou and Labys [Evidence for chaotic dependence between US inflation and commodity prices, J. Macroecon. 28(1) (2006) 256–266] has been applied to assess this relationship. Results obtained support evidence in favour of causality, which can help to identify the influences of speculative price behaviour on inflation.     

Phase-shifted Bragg microstructured optical fiber gratings utilizing infiltrated ferrofluids

Results are presented on the efficient spectral manipulation of uniform and chirped Bragg reflectors inscribed in microstructured optical fibers utilizing short lengths of ferrofluids infiltrated in their capillaries. The infiltrated ferrofluidic defects can generate either parasitic reflection notch features in uniform Bragg reflectors of up to 80% visibility and ~0.1 nm spectral shift or tunability of the bandwidth and strength reflection up to 100% when introduced into chirped gratings. Spectra are presented for different spatial positions and optical characteristics of the ferrofluidic section.     

Simplified expressions of the T-matrix integrals for electromagnetic scattering

The extended boundary condition method, also called the null-field method, provides a semianalytic solution to the problem of electromagnetic scattering by a particle by constructing a transition matrix (T-matrix) that links the scattered field to the incident field. This approach requires the computation of specific integrals over the particle surface, which are typically evaluated numerically. We introduce here a new set of simplified expressions for these integrals in the commonly studied case of axisymmetric particles. Simplifications are obtained using the differentiation properties of the radial functions (spherical Bessel) and angular functions (associated Legendre functions) and integrations by parts. The resulting simplified expressions not only lead to faster computations, but also reduce the risks of loss of precision and provide a simpler framework for further analytical work.