Multivariate calibration by partial least squares for the quantitative phase analysis using Rietveld method

The present work used multivariate calibration by Partial Least Squares (PLS) to produce a Net Analyte Signal as a way of establishing the independent influence of each phase in the Quantitative Phase Analysis with the Rietveld method for three sources of potential error: preferred orientation, linear absorption and counting statistics. Ternary mixtures of Al₂O₃, MgO and NiO were employed and organized in three groups with different degrees of variation in the weight fractions of the three constituents. An analysis of variance indicated that the partial selectivity of the least variation group differed significantly from the other groups. As for the phases, MgO partial selectivity was significantly different. This is due to a strong correlation between the linear absorption and counting statistics in the region of the (2 0 0) reflection of the MgO phase that is strongly affected by preferred orientation and also corresponds to the strongest reflection for MgO as well as for NiO. On the whole, by using matrices of similarity, a great similarity was observed between the nominal weight fractions of the phases and the weight fractions observed by means of the Rietveld method. However, such similarity diminishes as the weight fractions of the phases of the mixture become closer to each other and, in the group of mixtures with least variation of weight fractions, the method is unable to quantify the small differences between the phases, even if these errors may be considered small relative to the weight fractions themselves. Copyright © 2008 John Wiley & Sons, Ltd.     

Improving the Antimicrobial and Mechanical Properties of Epoxy Resins via Nanomodification: An Overview

The main purpose of this work is to provide a comprehensive overview on the preparation of multifunctional epoxies, with improved antimicrobial activity and enhanced mechanical properties through nanomodification. In the first section, we focus on the approaches to achieve antimicrobial activity, as well as on the methods used to evaluate their efficacy against bacteria and fungi. Relevant application examples are also discussed, with particular reference to antifouling and anticorrosion coatings for marine environments, dental applications, antimicrobial fibers and fabrics, and others. Subsequently, we discuss the mechanical behaviors of nanomodified epoxies with improved antimicrobial properties, analyzing the typical damage mechanisms leading to the significant toughening effect of nanomodification. Some examples of mechanical properties of nanomodified polymers are provided. Eventually, the possibility of achieving, at the same time, antimicrobial and mechanical improvement capabilities by nanomodification with nanoclay is discussed, with reference to both nanomodified epoxies and glass/epoxy composite laminates. According to the literature, a nanomodified epoxy can successfully exhibit antibacterial properties, while increasing its fracture toughness, even though its tensile strength may decrease. As for laminates—obtaining antibacterial properties is not followed by improved interlaminar properties.     

Completely Subradiant Multi‐Atom Architectures Through 2D Photonic Crystals

Following recent advances in the manipulation of atoms trapped near 1D waveguides and proposals to use surface acoustic waves on piezoelectric substrates for the same purpose, the potential of two‐dimensional platforms is shown. Directional emission of atoms near photonic crystal slabs with square symmetry is used, in the ideal case, to build perfect subradiant states of 2 distant atoms, possible in 2D only for finite lattices with perfectly reflecting boundaries. These allow the design of massively parallel 1D arrays of atoms above a single crystal, useful for multi‐port output of nonclassical light, by exploiting destructive interference of guided resonance modes. Directionality of the emission is shown to be present whenever a linear iso‐frequency manifold is present in the dispersion relation of the crystal. Multi‐atom radiance properties can be predicted from a simple cross‐talk coefficient of a master equation, in good agreement with exact atom‐crystal dynamics, showing its predictive power. Departing from the ideal theoretical case, possible experimental issues in photonic crystal implementations are also discussed, and an outlook of other relevant modern platforms for 2D propagation of excitations is given.     

Searching for biomarkers of chronic obstructive pulmonary disease using proteomics: The current state

Detection of proteins which may be potential biomarkers of disorders represents a big step forward in understanding the molecular mechanisms that underlie pathological processes. In this context proteomics plays the important role of opening a path for the identification of molecular signatures that can potentially assist in early diagnosis of several clinical disturbances. Aim of this report is to provide an overview of the wide variety of proteomic strategies that have been applied to the investigation of chronic obstructive pulmonary disease (COPD), a severe disorder that causes an irreversible damage to the lungs and for which there is no cure yet. The results in this area published over the past decade show that proteomics indeed has the ability of monitoring alterations in expression profiles of proteins from fluids/tissues of patients affected by COPD and healthy controls. However, these data also suggest that proteomics, while being an attractive tool for the identification of novel pathological mediators of COPD, remains a technique mainly generated and developed in research laboratories. Great efforts dedicated to the validation of these biological signatures will result in the proof of their clinical utility.     

N-Alkylation of Aniline and Its Derivatives by Alcohols in the Presence of Copper Compounds

Russian Journal of Organic Chemistry - N-Alkyl- and N,N-dialkyl-substituted anilines were obtained in the reaction of aniline and its derivatives with primary and secondary alcohols in the presence...     

New Gold(I) Complexes with 1,5-Diaza-3,7-Diphosphacyclooctanes: Synthesis and Structures

Russian Journal of Coordination Chemistry - New bi- and trinuclear gold(I) complexes are synthesized by the reactions of gold(I) chloride or tetrahydrothiophenegold(I) chloride with...     

Protein NMR Resonance Assignment without Spectral Analysis: 5D SOlid‐State Automated Projection SpectroscopY (SO‐APSY)

Narrow proton signals, high sensitivity, and efficient coherence transfers provided by fast magic‐angle spinning at high magnetic fields make automated projection spectroscopy feasible for the solid‐state NMR analysis of proteins. We present the first ultrahigh dimensional implementation of this approach, where 5D peak lists are reconstructed from a number of 2D projections for protein samples of different molecular sizes and aggregation states, which show limited dispersion of chemical shifts or inhomogeneous broadenings. The resulting datasets are particularly suitable to automated analysis and yield rapid and unbiased assignments of backbone resonances.     

DNA-Targeted NO Release Photoregulated by Green Light

A novel molecular hybrid has been designed and synthesized in which acridine orange (AO) is covalently linked to an N-nitrosoaniline derivative through an alkyl spacer. Photoexcitation of the AO antenna with the highly biocompatible green light results in intense fluorescence emission and triggers NO detachment from the N-nitroso appendage via an intramolecular electron transfer. The presence of the AO moiety encourages the binding with DNA through both external and partially intercalative fashions, depending on the DNA:molecular hybrid molar ratio. Importantly, this dual-mode binding interaction with the biopolymer does not preclude the NO photoreleasing performances of the molecular hybrid, permitting NO to be photogenerated nearby DNA with an efficiency similar to that of the free molecule. These properties make the presented compound an intriguing candidate for fundamental and potential applicative research studies where NO delivery in the DNA proximity precisely regulated by harmless green light is required.