Characterization and tests of planar Co3O4 model catalysts prepared by chemical vapor deposition

The chemical vapor deposition method was used to deposit thin films of cobalt oxide starting with cobalt (II) acetylacetonate and oxygen. The deposition process was investigated and the obtained films were identified as a cubic spinel-type polycrystalline Co₃O₄ with a crystallite size of 30–40 nm. The coating was carbon-free and the surface oxygen concentration was measured to be 66 at.% with AES analysis. Smooth and highly uniform thin films were deposited on planar stainless steel substrates and subjected to TPR and catalysis tests that show positive correlation. The apparent activation energy of Co₃O₄ reduction to CoO was measured to be (33±5) kJ/mol. The catalytic activity of Co₃O₄ was investigated toward the conversion of both propane and ethanol to carbon dioxide. Though the catalytic action was registered at the same temperature, the deactivation process was seen to be different. The catalytic conversion of ethanol induces a fast deactivation process, which was linked to its high ability to reduce Co₃O₄.     

New inhibitors of the Tat-TAR RNA interaction found with a "fuzzy" pharmacophore model

TAR RNA is a potential target for AIDS therapy. Ligand-based virtual screening was performed to retrieve novel scaffolds for RNA-binding molecules capable of inhibiting the Tat-TAR interaction, which is essential for HIV replication. We used a "fuzzy" pharmacophore approach (SQUID) and an alignment-free pharmacophore method (CATS3D) to carry out virtual screening of a vendor database of small molecules and to perform "scaffold-hopping". A small subset of 19 candidate molecules were experimentally tested for TAR RNA binding in a fluorescence resonance energy transfer (FRET) assay. Both methods retrieved molecules that exhibited activities comparable to those of the reference molecules acetylpromazine and chlorpromazine, with the best molecule showing ten times better binding behavior (IC50 = 46 microM). The hits had molecular scaffolds different from those of the reference molecules.     

Engineering of functional supramacromolecular complexes of proteins (enzymes) using reversed micelles as matrix microreactors

The size of the inner water cavity of reversed micelles formedin a triple system ‘water-surfactant-organic solvent’can be widely varied by changing the degree of surfactant hydration.This gives grounds to use reversed micelles as matrix microreactorsfor the design of supramolecular complexes of proteins. Usingultracentrifugation analysis, it has been demonstrated thatthe oligomeric composition of various enzymes (ketoglutaratedehydrogenase, alkaline phosphatase, lactic dehydrogenase, glyceraldehyde-3-phosphatedehydrogenase) solubilized in reversed micelles of Aerosol OT[sodium bis(2-ethylehexyl)sulfosuccinate] in octane changesupon variation of the degree of hydration. An oligomeric complexforms under conditions when the radius of the micelle innercavity is big enough to incorporate this complex as a whole.At lower degrees of hydration the micelles ‘uncouple’such complexes to their components. The catalytic propertiesof various oligomeric complexes have been studied. Possibilitiesof using reversed micelles for the separation of subunits ofoligomeric enzymes under non-denaturating conditions have beendemonstrated. In particular, the isolated subunits of alkalinephosphatase, lactic dehydrogenase and glyceralde-hyde-3-phosphatedehydrogenase have been found to be active in Aerosol OT reversedmicelles. The dependences of the catalytic activity of oligomericenzymes represent saw-like curves. The maxima of the catalyticactivity observed at these curves relate to the functioningof various oligomeric forms of an enzyme. The radii of the micelleinner cavity under conditions when these maxima are observedcorrelate with the linear dimensions of the enzyme oligomericforms. Correlation of the position of a maximum with the shapeof an oligomeric complex is discussed.     

Stereoisomere Aromastoffe

Zusammenfassung Die Synthese von acht verschiedenen 2-Alkoxy-5-alkyl-tetrahydrofuranen und ihren Stereoisomeren wird vorgestellt, sieben von ihnen sind als Aromastoffe der Wassermelone bekannt. Alle Stereoisomeren werden, ausgehend von optisch reinen-Nonalacton-Enantiomeren, synthetisiert und mit Diisobutylaluminiumhydrid selektiv zu den entsprechenden Lactolen reduziert. Die Lactole werden mit den gewünschten Alkoholen in schwach saurer Lösung zucis/trans-Diastereomeren umgesetzt und durch Flüssigchromatographie in optisch reine Stereoisomere getrennt. Die sensorische Charakteristik aller Stereoisomeren der sieben Verbindungen wird aufgezeigt. Die Trennung dercis/trans-Diastereomeren an DB-210 wird vorgestellt und die chirospezifische Differenzierung der acht Verbindungen diskutiert.

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Stereoisomeric flavour compounds L. Optically pure 2-alkoxy-5-alkyl-tetrahydrofurans — structures and properties

Summary The synthesis of eight different 2-alkoxy-5-alkyltetrahydrofurans and their stereoisomers is presented, seven of which are known to be flavour compounds of water melons. All stereoisomers were synthesized from optically pure-lactone enantiomers, which were selectively reduced by diisobutylaluminium hydride to the corresponding lactols. The lactols were treated with the desired alcohol component in weakly acidic media to yield thecis/trans diastereoisomers, which were separated into optically pure stereoisomers by liquid chromatography. The sensory characteristics of all four stereoisomers of the seven compounds are given. The Stereodifferentiation of thesecis/trans diastereoisomers on DB-210 is demonstrated and the direct chirospecific differentiation of all eight compounds discussed.

     

Towards language-to-language transformation

This paper proposes a simplicity-oriented approach and framework for language-to-language transformation of, in particular, graphical languages. Key to simplicity is the decomposition of the transformation specification into sub-rule systems that separately specify purpose-specific aspects. We illustrate this approach by employing a variation of Plotkin’s Structural Operational Semantics (SOS) for pattern-based transformations of typed graphs in order to address the aspect ‘computation’ in a graph rewriting fashion. Key to our approach are two generalizations of Plotkin’s structural rules: the use of graph patterns as the matching concept in the rules, and the introduction of node and edge types. Types do not only allow one to easily distinguish between different kinds of dependencies, like control, data, and priority, but may also be used to define a hierarchical layering structure. The resulting Type-based Structural Operational Semantics (TSOS) supports a well-structured and intuitive specification and realization of semantically involved language-to-language transformations adequate for the generation of purpose-specific views or input formats for certain tools, like, e.g., model checkers. A comparison with the general-purpose transformation frameworks ATL and Groove, illustrates along the educational setting of our graphical WebStory language that TSOS provides quite a flexible format for the definition of a family of purpose-specific transformation languages that are easy to use and come with clear guarantees.

     

Extended bisection method for parameter identification of the transient heat conduction equation for thermo-elastic deformations during drilling

A new interdisciplinary approach is discribed to identifying unknown parameters using an extended version of the known interval bisection method. This developed method is based on the use of finite elements for calibrating the simulation calculation. The resulting thermo-elastic deformations which occur in drilling processes with impaired cooling lubrication are to be used as correction values for tool positioning in the NC control. Based on the strong impact on workpiece temperature of machining, a simulation approach is presented for calculating the temperature fields and their thermo-elastic consequences. In addition, methods are presented to correct these effects. This paper particularly deals with the temperature fields of drilling operations. Special attention is paid to the technique employed for iterative numerical determination of the unknown heat flux η _w and heat transfer coefficient \(\bar {\gamma }\) values. Finally, the data obtained from experiments are compared with those achieved by numerical simulation in order to verify the efficiency of simulation and determination of parameters.     

Tetranorsesquiterpenoids as Attractants of Yucca Moths to Yucca Flowers

Journal of Chemical Ecology - The obligate pollination mutualism between Yucca and yucca moths is a classical example of coevolution. Oviposition and active pollination by female yucca moths occur...     

Segmentation of the fascia lata and reproducible quantification of intermuscular adipose tissue (IMAT) of the thigh

Magnetic Resonance Materials in Physics, Biology and Medicine - To develop a precise semi-automated segmentation of the fascia lata (FL) of the thigh to quantify IMAT volume in T1w MR images and...     

The optimal level of CRM IT investments

In light of the growing relevance of customer-oriented business strategies IT investments in the field of Customer Relationship Management have increased considerably. However, firms often could not realize sufficient returns on these IT investments. One major reason for this failure seems to be the lack of appropriate approaches to determine the economic impact of such investments ex ante. Therefore, we develop an economic model to determine the optimal level of Customer Relationship Management IT investments. Using this approach, firms can evaluate, to what extent investments in Customer Relationship Management IT are reasonable. One major result is that in most cases the “all or nothing strategy” pursued by many firms does not lead to the optimal level of investments. To illustrate the practical utility and applicability of the approach, we provide a real world example of a German financial services provider.     

Performance and reliability prediction for evolving service-oriented software systems

During software system evolution, software architects intuitively trade off the different architecture alternatives for their extra-functional properties, such as performance, maintainability, reliability, security, and usability. Researchers have proposed numerous model-driven prediction methods based on queuing networks or Petri nets, which claim to be more cost-effective and less error-prone than current practice. Practitioners are reluctant to apply these methods because of the unknown prediction accuracy and work effort. We have applied a novel model-driven prediction method called Q-ImPrESS on a large-scale process control system from ABB consisting of several million lines of code. This paper reports on the achieved performance prediction accuracy and reliability prediction sensitivity analyses as well as the effort in person hours for achieving these results.