Interface between transparent isotropic and uniaxial absorbing dielectric media: equations for ray tracing and for the direction of propagation

In this work we analyze the propagation of a plane wave that passes from an isotropic transparent medium to a uniaxial absorbing medium. Detailed expressions that give the real directions of propagation of the wave and the energy of the reflected and refracted ordinary and extraordinary waves are obtained. These expressions are valid for every orientation of the optic axis of the uniaxial medium and for every direction of propagation of the incident wave. Expressions are tested in the case of an interface between a transparent and an absorbing isotropic media and for the air-rutile (TiO2) interface. The effect of absorption has been evaluated by comparing the results obtained in rutile with the results obtained in a transparent uniaxial medium with the same real refractive indices. Results are presented for different values of the angle of incidence and the orientation of the plane of incidence.     

Atmospheric DMSO degradation in the gas phase: Cl-DMSO reaction. Temperature dependence and products

The reactions of Cl atoms and ClO radicals with CH3-SOCH3 (DMSO) have been studied using the discharge flow method with direct detection of DMSO, CO, and products by mass spectrometry. The absolute rate constant at room temperature measured for reaction 1, (CH3)2SO + Cl --> products, was k(1) = (1.7 +/- 0.3) x 10(-11) cm3 molecule(-1) s(-1). For reaction 2, (CH3)2SO + ClO --> products, only an upper limit could be established, k(2) < or = 6 x 10(-14) cm3 molecule(-1) s(-1) Reaction 1 has been found to proceed through adduct formation and further decomposition involving the cleavage of the C-S bound. The pressure effect on the Cl-DMSO reaction from 0.5 to 3 Torr was negligible, and the temperature dependence in the range 273-335 K was also very slight. The results obtained are related to previous studies of sulfur compounds, and the atmospheric implications are also discussed in relation to the homogeneous sinks of DMSO. Tropospheric lifetimes of DMSO based on average Cl and ClO concentrations and the measured rate constants have been calculated showing that the contribution of reaction 1 must be of minor relevance in the marine boundary layer. Reaction 2 is so slow that it does not play any role within the atmospheric sulfur chemistry.     

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.     

Maximum likelihood estimation for the three-parameter Weibull cdf of strength in presence of concurrent flaw populations

For a correct strength characterization of brittle materials, not only the maximum stress at fracture, but also the geometry of the specimens has to be considered thus taking into account the variable stress state and the size effect. Additionally, fracture may occur due to different fracture modes, as for example surface or edge defects. The authors propose a maximum likelihood estimator to obtain the cumulative distribution functions of strength for surface and edge flaw populations separately, both being three-parameter Weibull cdfs referred to an elemental surface area or elemental edge length, respectively. The method has been applied to simulated 3-point bending test data. The estimated Weibull parameters have been used to compute the cdfs of strength for specimens with different size, providing also the confidence bounds calculated by means of the bootstrap method. Finally, fracture data of 4-point bending tests on silicon carbide have been evaluated with the proposed method.     

Selective catalytic transformations of methanol to C2-C3 hydrocarbons over the new zeolite type LZ 132

The small pore zeolite HLZ 132 exhibits, in comparison with other zeolites, an increased selectivity for the transformation of methanol to ethylene in the reaction temperature range 350–500 °C: the weight ratio of C₂H₄ to C₃H₆ in the products ranges between 1 and 4 at WHSV=2 h^–1. Besides the effect of the reactant shape selectivity this fact may be interpreted by the participation of the asymmetrical methoxy groups in the surface as well as by proton-donor centres of lower acidity which do not catalyze the oligomerization of ethylene but which do the more basic molecule of propylene, thereby generating polyene-type coke.     

The specific-word frequency effect: Implications for the representation of homophones in speech production.

In a series of experiments, the authors investigated whether naming latencies for homophones (e.g., /nΛn/) are a function of specific-word frequency (i.e., the frequency of nun) or a function of cumulative homophone frequency (i.e., the sum of the frequencies of nun and none). Specific-word but not cumulative-homophone frequency affected picture-naming latencies. This result was obtained in 2 languages (English and Chinese). An analogous finding was obtained in a translation task, where bilingual speakers produced the English names of visually presented Spanish words. Control experiments ruled out that these results are an artifact of orthographic or articulatory factors, or of visual recognition. The results argue against the hypothesis that homophones share a common word-form representation, and support instead a model in which homophones have fully independent representations. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Similarity of phylogenetic trees as indicator of protein-protein interaction

Deciphering the network of protein interactions that underlinescellular operations has become one of the main tasks of proteomicsand computational biology. Recently, a set of bioinformaticsapproaches has emerged for the prediction of possible interactionsby combining sequence and genomic information. Even though theinitial results are very promising, the current methods arestill far from perfect. We propose here a new way of discoveringpossible protein–protein interactions based on the comparisonof the evolutionary distances between the sequences of the associatedprotein families, an idea based on previous observations ofcorrespondence between the phylogenetic trees of associatedproteins in systems such as ligands and receptors. Here, weextend the approach to different test sets, including the statisticalevaluation of their capacity to predict protein interactions.To demonstrate the possibilities of the system to perform large-scalepredictions of interactions, we present the application to acollection of more than 67 000 pairs of E.coli proteins, ofwhich 2742 are predicted to correspond to interacting proteins.     

On the power of elementary features in spiking neural P systems

Since their first publication in 2006, spiking neural (SN) P systems have already attracted the attention of a lot of researchers. This might be owing to the fact that this abstract computing device follows basic principles known from spiking neural nets, but its implementation is discrete, using membrane computing background. Among the elementary properties which confer SN P systems their computational power one can count the unbounded fan-in (indegree) and fan-out (outdegree) of each “neuron”, synchronicity of the whole system, the possibility of delaying and/or removing spikes in neurons, the capability of evaluating arbitrary regular expressions in neurons in constant time and some others. In this paper we focus on the power of these elementary features. Particularly, we study the power of the model when some of these features are disabled. Rather surprisingly, even very restricted SN P systems keep their universal computational power. Certain important questions regarding this topic still remain open.