Exploratory analysis of the volatile profile of beers by HS–SPME–GC

Kohonen Neural Network maps were used for exploratory analysis of Brazilian Pilsner beers. The input data consisted of the peak areas of the volatile profile compounds of samples obtained after headspace solid phase microextraction coupled to gas chromatography. The chromatographic peaks were identified as originating from compounds such as alcohols, esters, organic acids, phenolic compounds, ketone and others typically found in the headspace of such samples. Analysis of the Kohonen maps showed that the 20 different brands of beer could be grouped into six sets, with three of these sets having only one sample, according to the composition of their volatile fractions. The volatile species associated with the similarities and differences between each sample group were tentatively identified by mass spectrometry and their contributions to the grouping are discussed.     

PI regulation for a class of bioreactors: stability and performance

Stability and performance features of linear PI compensation for continuous bioreactors are studied in this paper. First, it is established that conventional PI control can be represented as the combination of an I/O inverse dynamics feedback with a modeling error dynamic estimator. Then, the analysis of the closed‐loop dynamics carried out with singular perturbation tools shows that PI control can recover the stability and performance induced by exact I/O inverse dynamics feedback controller. The theoretical results are illustrated via a typical numerical example. Copyright © 2012 John Wiley & Sons, Ltd.     

Texture-based transfer functions for direct volume rendering

Visualization of volumetric data faces the difficult task of finding effective parameters for the transfer functions. Those parameters can determine the effectiveness and accuracy of the visualization. Frequently, volumetric data includes multiple structures and features that need to be differentiated. However, if those features have the same intensity and gradient values, existing transfer functions are limited at effectively illustrating those similar features with different rendering properties. We introduce texture-based transfer functions for direct volume rendering. In our approach, the voxel's resulting opacity and color are based on local textural properties rather than individual intensity values. For example, if the intensity values of the vessels are similar to those on the boundary of the lungs, our texture-based transfer function will analyze the textural properties in those regions and color them differently even though they have the same intensity values in the volume. The use of texture-based transfer functions has several benefits. First, structures and features with the same intensity and gradient values can be automatically visualized with different rendering properties. Second, segmentation or prior knowledge of the specific features within the volume is not required for classifying these features differently. Third, textural metrics can be combined and/or maximized to capture and better differentiate similar structures. We demonstrate our texture-based transfer function for direct volume rendering with synthetic and real-world medical data to show the strength of our technique.     

Grape,apple and pineapple juice characterisation and detection of mixtures

Several multivariate statistical methods (principal component, cluster, stepwise discriminant and multiple linear regression analysis) were applied to analytical data obtained by conventional methods and to analytical data for free amino acids, in an attempt to distinguish between grape, apple and pineapple juice. Analysis for methionine, proline, asparagine, arginine and glutamic acid made it possible to differentiate among the 34 samples of grape, apple and pineapple juices studied. Multiple linear regression analysis of computer-simulated mixtures of grape and apple juices made it possible to detect the proportion of each fruit within the blend.     

Characterisation of the Essential Oils of some Cultivated Aromatic Plants of Industrial Interest

The compositions of the essential oils of Rosmarinus officinalis L, Salvia lavandulifolia V and Lavandula latifolia M, obtained by steam distillation from plants cultivated in the northeast of Spain, have been studied by gas chromatography and gas chromatography/mass spectrometry. The essential oil of rosemary appears to be more complex and richer in flavour notes than other previously studied Spanish rosemary oils, and has an intermediate ratio of α-pinene and of 1,8-cineole in relation to essential oils of rosemary of different geographical origins, but higher proportions of camphor, verbenone and linalool. The essential oil of sage has proportions of 1,8-cineole, camphor, endo-borneol, trans-caryophyllene and α-humulene closer to commercial Salvia officinalis L than to other Spanish sages of different geographical locations, and the difference from commercial Salvia officinalis L is due principally to the higher ratio of terpene hydrocarbons and the lower proportion of thujone in the Spanish sage studied here. The essential oil of the spike lavender has the same main components and similar proportions as other Spanish wild and commercial spike lavender essen-tial oils, but shows differences in the nature of the minor components (rhodinol fraction).     

N‐Benzyl‐4‐((heteroaryl)methyl)benzamides: A New Class of Direct NADH‐Dependent 2‐trans Enoyl–Acyl Carrier Protein Reductase (InhA) Inhibitors with Antitubercular Activity

Isoniazid (INH) remains one of the cornerstones of antitubercular chemotherapy for drug‐sensitive strains of M. tuberculosis bacteria. However, the increasing prevalence of multidrug‐resistant (MDR) and extensively drug‐resistant (XDR) strains containing mutations in the KatG enzyme, which is responsible for the activation of INH into its antitubercular form, have rendered this drug of little or no use in many cases of drug‐resistant tuberculosis. Presented herein is a novel family of antitubercular direct NADH‐dependent 2‐trans enoyl–acyl carrier protein reductase (InhA) inhibitors based on an N‐benzyl‐4‐((heteroaryl)methyl)benzamide template; unlike INH, these do not require prior activation by KatG. Given their direct InhA target engagement, these compounds should be able to circumvent KatG‐related resistance in the clinic. The lead molecules were shown to be potent inhibitors of InhA and showed activity against M. tuberculosis bacteria. This new family of inhibitors was found to be chemically tractable, as exemplified by the facile synthesis of analogues and the establishment of structure–activity relationships. Furthermore, a co‐crystal structure of the initial hit with the enzyme is disclosed, providing valuable information toward the design of new InhA inhibitors for the treatment of MDR/XDR tuberculosis.     

Preparation and electrical characterization of poly(vinyl amine) hydrogels,crosslinked with Cu(II) ions,and evaluation of their potentiality as water sensor material

A method to prepare water sensitive composites employing crosslinked poly(vinyl amine) (PVAm) and Cu(II) ions as reticulation agent is disclosed in this work. This article presents in detail, the reticulation reaction and its pH dependence, as well as its electrical, rheological, and thermal properties of the PVAm‐Cu(II) composites obtained. The complex bonds formed between the Cu(II) ions and the amine groups of PVAm produce an interesting network of crosslinked structures that generate a microporous morphology when the material is extruded. This characteristic favors fast absorption of water when it is wetted, and a concomitant decrease in its apparent resistivity in a very short period of time. Furthermore, they present an excellent thermal stability and suitable processability. These characteristics make them interesting candidates to design ultra fast water sensors. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2010     

Fixation of Chromium in Wood from Dichromate and Chromate Salt Solutions

It has been reported that treatment of wood surfaces with aqueous solutions of chromium trioxide imparts some beneficial properties like weather resistance and some degree of water repellency. The work presented here aims at finding alternative ways of fixing chromium in wood with the avoidance of the very acidic and strong oxidant conditions of chromic acid solutions. This is because these solutions may affect the strength of wood, and are known to have a very high human toxicity. In this study, chromium has been fixed into wood from hexavalent chromium solutions at pH's of ～1.5 (CrO₃ aq.), ～3.8–3.9 (K₂Cr₂O₇ aq.) and ～9.5–10.3 (K₂CrO₄ aq.). For the CrO₃-solutions the effects of temperature and reaction time on the fixation of chromium were investigated. For the dichromate and chromate solutions, fixation experiments were carried out with Cr-concentration and reaction times as variables. It is shown that a 3%-fixation level of chromium in small wood specimens can be attained from dichromate and chromate solutions without significant mechanical damage to wood. On the other hand, even diluted CrO₃-solutions (0.01 M) impart serious strength reductions in wood at temperatures of 90° C and higher when reacted for 8 hours, and the chromium content of wood resulting from such treatment is of the order of only 1%.     

Effect of Functionalization Synthesis Type of Amino-MCM-41 Mesoporous Silica Nanoparticles on Its RB5 Adsorption Capacity and Kinetics

Silicon - This study was undertaken to evaluate the adsorption of Reactive Black 5 dye (RB5), in aqueous solution, onto MCM-41 mesoporous silica nanoparticles (MSNs) functionalized with...