In Situ EXAFS Study on the Chemical State of Arsenic Deposited on a NiMoP/Al2O3 Hydrotreating Catalyst

The chemical state of arsenic deposited on a NiMoP/Al₂O₃ hydrotreating catalyst exposed to ppb levels of arsenic over several years in a refinery reactor has been studied by in situ EXAFS. In the as-received As-NiMoP catalyst, arsenic is exclusively coordinated to oxygen atoms. Upon sulfiding the sample in 2%H₂S/2%H₂/96%He, the As atoms become surrounded by approximately two sulfur atoms. No evidence was found for Ni–As bond formation. A possible model for the As local environment is suggested on the basis of combined EXAFS results, STM data and FEFF8.0 simulations (program for ab initio calculations on multiple scattering XAFS and XANES). The FEFF8.0 simulations of the proposed model are in accord with the experimental data measured at the As K edge. In this model, an As atom is located at the edge of a hexagonally truncated Ni-MoS₂ slab and is blocking the active NiMoS site.     

Polyunsaturated monoglycerides and a pregnadiene in defensive glands of the water beetle Agabus affinis

In addition to the C₂₁ steroid 15α-hydroxypregna-4,6-dien-3,20-dione, four 1- or 2-acylated polyunsaturated monoglycerides, 1- or 2-(cis-5,8,11,14-eicosatetraenoyl)-glycerol and 1- or 2-(cis-5,8,11,14,17-eicosapentaenoyl)glycerol were identified as constituents of the prothoracic defensive gland secretion of the dytiscid beetle Agabus affinis by gas chromatography-mass spectrometry of trimethylsilylated gland extracts. In a feeding assay with minnows, synthetic samples of the two 2-acylated monoglycerides showed only a weak activity as a feeding deterrent. For that reason, other possible functions of the monoglycerides are discussed, such as roles as emulsifiers of cannabimimetics.     

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.

     

Object detection by global contour shape

We present a method for object class detection in images based on global shape. A distance measure for elastic shape matching is derived, which is invariant to scale and rotation, and robust against non-parametric deformations. Starting from an over-segmentation of the image, the space of potential object boundaries is explored to find boundaries, which have high similarity with the shape template of the object class to be detected. An extensive experimental evaluation is presented. The approach achieves a remarkable detection rate of 83-91% at 0.2 false positives per image on three challenging data sets.     

Toward the Proteome of the Human Peripheral Blood Eosinophil

Eosinophils (EOSs) are granular leukocytes that have significant roles in many inflammatory and immunoregulatory responses, especially asthma and allergic diseases. We have undertaken a fairly comprehensive proteomic analysis of purified peripheral blood EOSs from normal human donors primarily employing 2‐DE with protein spot identification by MALDI‐MS. Protein subfractionation methods employed included IEF (Zoom^® Fractionator) and subcellular fractionation using differential protein solubilization. We have identified 3141 proteins, which had Mascot expectation scores of 10^?3 or less. Of these 426 were unique and non‐redundant of which 231 were novel proteins not previously reported to occur in EOSs. Ingenuity Pathway Analysis showed that some 70% of the non‐redundant proteins could be subdivided into categories that are clearly related to currently known EOS biological activities. Cytoskeletal and associated proteins predominated among the proteins identified. Extensive protein posttranslational modifications were evident, many of which have not been previously reported that reflected the dynamic character of the EOS. This data set of eosinophilic proteins will prove valuable in comparative studies of disease versus normal states and for studies of gender differences and polymorphic variation among individuals.     

Patch layout from feature graphs

The structuring of surface meshes is a labor intensive task in reverse engineering. For example, in CAD, scanned triangle meshes must be divided into characteristic/uniform patches to enable conversion into high-level spline surfaces. Typical industrial techniques, like rolling ball blends, are very labor intensive.We provide a novel, robust and quick algorithm for the automatic generation of a patch layout based on a topology consistent feature graph. The graph separates the surface along feature lines into functional and geometric building blocks. Our algorithm then thickens the edges of the feature graph and forms new regions with low varying curvature. Further, these new regions-so-called fillets and node patches-will have highly smooth boundary curves, making the algorithm an ideal preprocessor for a subsequent spline fitting algorithm.     

Method of classifier selection using the genetic approach

Abstract: The paper presents a novel machine learning algorithm used for training a compound classifier system that consists of a set of area classifiers. Area classifiers recognize objects derived from the respective competence area. Splitting feature space into areas and selecting area classifiers are two key processes of the algorithm; both take place simultaneously in the course of an optimization process aimed at maximizing the system performance. An evolutionary algorithm is used to find the optimal solution. A number of experiments have been carried out to evaluate system performance. The results prove that the proposed method outperforms each elementary classifier as well as simple voting.     

Model predictive control of a rotary cement kiln

A first principles model of a cement kiln is used to control and optimize the burning of clinker in the cement production process. The model considers heat transfer between a gas and a feed state via convection and radiation. Furthermore, it contains effects such as chemical reactions, feed transport, energy losses and energy input. A model predictive controller is used to stabilize a temperature profile along the rotary kiln, guarantee good combustion conditions and maximize production. Moving horizon estimation was used for online estimation of selected model parameters and unmeasured states. Results from the pilot site are presented.