New approach for the prediction of azeotropy in binary systems

A new approach for the prediction of azeotrope formation between components in a mixture, that does not require vapor–liquid equilibrium calculations, is presented. The method employs neural networks to correlate azeotropic data for binary mixtures with a series of macroscopic and microscopic properties of the pure components, without explicit consideration of non-ideality of mixture. The model fails to make a clear prediction regarding azeotropy in only a relatively small number of situations in which structurally homologous molecules are known to exhibit quite distinct azeotropic behavior.     

Bioreduction of α‐Acetoxymethyl Enones: Proposal for an SN2′ Mechanism Catalyzed by Enereductase

(Z)‐3‐Acetoxymethyl‐4‐R‐3‐buten‐2‐ones (R=aryl, alkyl) and (Z)‐3‐methyl‐4‐R‐3‐buten‐2‐ones (R=aryl) were synthesized and submitted to reduction by the yeast Saccharomyces cerevisiae producing the (R)‐ and (S)‐4‐R‐3‐methybutan‐2‐ones, respectively. This stereochemistry control strategy was applied in the syntheses of (R)‐ and (S)‐Tropional® with moderate to high enantiomeric excesses. Other (Z)‐3‐acyloxymethyl‐4‐phenyl‐3‐buten‐2‐ones showed similar behavior to the (Z)‐3‐acetoxymethyl counterpart, and the acylated Morita–Baylis–Hillman adduct 1‐acetoxy‐2‐methylene‐1‐phenylbutan‐3‐one produced a mixture of products, with and without the acetoxy group, via three different reaction pathways. In addition to experiments employing whole cells, those in which isolated enereductases were used suggested that the main pathway through which the loss of the acetoxy group occurs during the biocatalytic cascade is an S_N2′‐type reaction, rather than formal hydrogen addition followed by acetic acid elimination. Finally, related ethyl enones were reduced enantioselectively by the yeast Candida albicans, producing both (R)‐ and (S)‐reduction products, depending on the presence of the acetoxy group in the starting material.

     

Interspecific Cross-Attraction between the South American Cerambycid Beetles <Emphasis Type="Italic">Cotyclytus curvatus</Emphasis> and <Emphasis Type="Italic">Megacyllene acuta</Emphasis> is Averted by Minor Pheromone Components

During field screening trials conducted in Brazil in 2015, adults of both sexes of the cerambycid beetles Cotyclytus curvatus (Germar) and Megacyllene acuta (Germar) (subfamily Cerambycinae, tribe Clytini) were significantly attracted to racemic 3-hydroxyhexan-2-one and racemic 2-methylbutan-1-ol, chemicals which previously have been identified as male-produced aggregation-sex pheromones of a number of cerambycid species endemic to other continents. Subsequent analyses of samples of beetle-produced volatiles revealed that males of C. curvatus sex-specifically produce only (R)-3-hydroxyhexan-2-one, whereas males of M. acuta produce the same compound along with lesser amounts of (2S,3S)-2,3-hexanediol and (S)-2-methylbutan-1-ol. Follow-up field trials showed that both sexes of both species were attracted to synthetic reconstructions of their respective pheromones, confirming that males produce aggregation-sex pheromones. The minor pheromone components of M. acuta, (S)-2-methylbutan-1-ol and (2S,3S)-2,3-hexanediol, synergized attraction of that species, but antagonized attraction of C. curvatus to (R)-3-hydroxyhexan-2-one. Beetles of other cerambycine species also were attracted in significant numbers, including Chrysoprasis linearis Bates, Cotyclytus dorsalis (Laporte & Gory), and Megacyllene falsa (Chevrolat). Our results provide further evidence that 3-hydroxyhexan-2-one is a major component of attractant pheromones of numerous cerambycine species world-wide. Our results also highlight our increasing understanding of the crucial role of minor pheromone components in imparting species specificity to cerambycid pheromone blends, as is known to occur in numerous species in other insect families.     

Constructive model-based analysis for safety assessment

The aerospace industry still uses fault trees to perform reliability analysis. This is because fault-tree modeling and analysis (FTA) seems easier to practical engineers when compared with Markov models, even though FTA provides a weaker form of analysis. In this paper, we propose an automatic strategy for generating Markov-based models and corresponding analysis formulations, according to ARP 4761, directly from Simulink diagrams annotated with failure information. The generated Markov-based models are expressed in the formal language PRISM, and the analysis is carried out by the PRISM model checker. The strategy is compositional and based on a comprehensive set of translation rules from Simulink to PRISM. We briefly address soundness and completeness of the rules and, to illustrate the application of the strategy, we apply it to a classical avionics case study: an actuator control system.     

Refactoring by Transformation

In this paper we present how refactoring of object-oriented programs can be accomplished by using refinement. Our approach is based on algebraic laws of an object-oriented language for refinement similar to Java. We follow a strategy involving data and algorithmic refinement of classes.     

A Survey on the Evolution of the Notion of Context-Awareness

The notion of context has been considered for a long time in different areas of Computer Science. This article considers the use of context-based reasoning from the earlier perspective of artificial intelligence as well as the newer developments in ubiquitous computing. Both communities have been somehow interested in the potential of context-reasoning to support real-time meaningful reactions from systems. We explain how the concept evolved in each of these different approaches. We found initially that each of them considered this topic quite independently and separated from each other; however, latest developments have started to show signs of cross-fertilization amongst these areas. The aim of our survey is to provide an understanding on the way context and context-reasoning were approached, to show that work in each area is complementary, and to highlight there are positive synergies arising amongst them. The overarching goal of this article is to encourage further and longer term synergies between those interested in further understanding and using context-based reasoning.     

Minimal resources identifiability and estimation of quantum channels

We characterize and discuss the identifiability condition for quantum process tomography, as well as the minimal experimental resources that ensure a unique solution in the estimation of quantum channels, with both direct and convex optimization methods. A convenient parametrization of the constrained set is used to develop a globally converging Newton-type algorithm that ensures a physically admissible solution to the problem. Numerical simulation is provided to support the results and indicate that the minimal experimental setting is sufficient to guarantee good estimates.     

A Hierarchical Self-Organizing Map Model for Sequence Recognition

A novel neural model made up of two self-organizing maps nets – one on top of the other – is introduced and analysed experimentally. The model makes effective use of context information, and that enables it to perform sequence classification and discrimination efficiently. It was successfully applied to real sequences, taken from the third voice of the sixteenth four-part fugue in G minor of the Well-Tempered Clavier (vol. I) of J.S. Bach. The model has an application in domains which require pattern recognition, or more specifically, which demand the recognition of either a set of sequences of vectors in time or sub-sequences into a unique and large sequence of vectors in time.