Crossing the Border: From Keto- to Imine Reduction in Short-Chain Dehydrogenases/Reductases

The family of NAD(P)H-dependent short-chain dehydrogenases/reductases (SDRs) comprises numerous biocatalysts capable of C=O or C=C reduction. The highly homologous noroxomaritidine reductase (NR) from Narcissus sp. aff. pseudonarcissus and Zt_SDR from Zephyranthes treatiae, however, are SDRs with an extended imine substrate scope. Comparison with a similar SDR from Asparagus officinalis (Ao_SDR) exhibiting keto-reducing activity, yet negligible imine-reducing capability, and mining the Short-Chain Dehydrogenase/Reductase Engineering Database indicated that NR and Zt_SDR possess a unique active-site composition among SDRs. Adapting the active site of Ao_SDR accordingly improved its imine-reducing capability. By applying the same strategy, an unrelated SDR from Methylobacterium sp. 77 (M77_SDR) with distinct keto-reducing activity was engineered into a promiscuous enzyme with imine-reducing activity, thereby confirming that the ability to reduce imines can be rationally introduced into members of the “classical” SDR enzyme family. Thus, members of the SDR family could be a promising starting point for protein approaches to generate new imine-reducing enzymes.     

Wear Resistance of Carbide and Boride Coatings on U8A Steel

Wear resistance measurements have been made with U8A steel bearing protective coatings based on the carbides of titanium, vanadium, and chromium or iron borides, for various forms of wear. The carbide and boride coatings raise the wear resistance considerably (by factors of 6-30 in accordance with the type of wear). Measurements have been made on the microhardness, microbrittleness, and adhesion of the coating to the substrate, which are effective characteristics that quite fully reflect the effects of the microhardness and state of stress, structure, and defectiveness on the wear resistance.     

Electrolytic Corrosion of Titanium Carbonitride Composites

The corrosion properties of TiCN, TiCN – AlN, and (TiCN – AlN) – (Fe – Cr) ceramics as well as those of the individual components TiN and TiC in a 3% NaCl solution have been investigated. The kinetics and the mechanism of anode dissolution of metals and oxidation of specimens have been studied by using polarization curves, chemical and x-ray phase analyses, Auger electron spectroscopy, and scanning electron microscopy (SEM). TiCN and TiCN – AlN composites have been found to be the most corrosion-resistant. The presence of a metallic binder in the titanium carbon nitride somewhat decreases the corrosion resistance of the ceramics. On the whole, however, the ceramics developed boast a significantly higher corrosion resistance than that of structural steel.     

Mechanical Properties and Oxidation Behavior of Al2O3–AlN–TiN Composites

The study examines the effect which the composition of hot-pressed electroconductive ceramics has on their structure, mechanical properties, and oxidation behavior, for ceramics of the type AIN–Al₂O₃–42 wt% TiN, differing in the AIN/Al₂O₃ ratio. The results are physico-mechanical property data, including density, hardness, strength, fracture toughness, and wear resistance. A correlation was found between the wear resistance and fracture toughness. The analysis of oxidation products revealed the formation of α-Al₂O₃ and rutile in the temperature range from 600° to 1100°C and aluminum titanate above 1200°C. The spallation of the oxide layer caused low oxidation resistance of Al₂O₃-rich composites above 1250°C. The oxidation of composites was compared with the oxidation of pure TiN. The relationship is discussed between material properties, composition, phases, and processing parameters.     

Particle-in-Cell algorithms for emerging computer architectures

We have designed Particle-in-Cell algorithms for emerging architectures. These algorithms share a common approach, using fine-grained tiles, but different implementations depending on the architecture. On the GPU, there were two different implementations, one with atomic operations and one with no data collisions, using CUDA C and Fortran. Speedups up to about 50 compared to a single core of the Intel i7 processor have been achieved. There was also an implementation for traditional multi-core processors using OpenMP which achieved high parallel efficiency. We believe that this approach should work for other emerging designs such as Intel Phi coprocessor from the Intel MIC architecture.     

Relationship between gliadin peptide structure and their effect on the fetal chick duodenum

Summary The tendency to form a-turn in-gliadin was estimated using the B-cell determinant prediction program based on the Chou and Fasman probability of-turn formation. Six sequences possessing a high probability of-turn formation were found. A statistically high agreement was found between these six sequences and three areas in-gliadin with the occurrence of Pro-Ser-Gln-Gln sequence which has recently been considered responsible for toxicity in coeliac disease. By means of solid-phase synthesis seven peptides were obtained covering the above-mentioned regions. Their toxicity was tested using the fetal chick duodenum. The results support the suggestion that peptides containing the sequences Pro-Ser-Gln-Gln and Gln-Gln-Gln-Pro may be involved in the pathogenesis of coeliac disease.

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Beziehung zwischen der Gliadin-Peptid-Struktur und ihr Einfluß auf den fetalen Kückendarm

Zusammenfassung Die Tendenz zur Bildung einer-Umwandlung im-Gliadin wurde bei Anwendung eines mathematischen Programms zur Vorhersage von B-Zelldeterminanten bestimmt, welches auf der Wahrscheinlichkeit der-Umwandlung nach Chou und Fasman basiert. Es wurden 6 Sequenzen gefunden, die eine hohe Wahrscheinlichkeit für die Bildung von-Umwandlungen aufwiesen. Zwischen diesen 6 Sequenzen und 3 Regionen im-Gliadin mit der Sequenz Pro-Ser-Gln-Gln, die kürzlich als verantwortlich für die Toxizität bei Cöliakie angesehen wurden, konnte eine statistisch gesicherte Beziehung gefunden werden. Mittels Festphasensynthese wurden 7 Peptide erhalten, die die oben genannten Regionen überdeckten. Ihre Toxizität wurde im fetalen Kückendarm getestet. Die Ergebnisse weisen darauf hin, daß Peptide, welche die Sequenz Pro-Ser-Gln-Gln und Gln-Gln-Gln-Pro enthalten, an der Pathogenese der Cöliakie beteiligt sein könnten.

     

Polychlorinated phenols in total diet

A method has been developed for the isolation, separation and determination of chlorinated phenols in total diet. The isolation takes place following acid hydrolysis of the conjugates and is performed by simultaneous extraction and distillation with water vapour and toluene. The isolated chlorophenols are removed by clean-up on a Florisil column using a mixture of 15% dichloromethane in toluene for elution. The separation and determination is carried out by capillary gas chromatography with electron capture detection. The recovery of the method ranged between 70.1±5 and 96.8±4.9% for the individual chlorophenols. The determination limits were 0.5 to 1.0 g·kg^–1. The method was applied in a study aimed at estimating the chlorophenol burden in two population groups (children up to the age of 6 years and students up to the age of 18 years). In two succesive years, 80 total diet samples were analysed. Average contents of the individual chlorophenols were from 0.7 to 33.5 g·kg^–1 and were higher for the dichlorophenol isomers. The calculated average daily intake ranged from 0.04 to 1.69 g·kg^–1 body weight for the individual phenols.

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Polychlorierte Phenole im Gesamtverzehr

Zusammenfassung Das hier beschriebene Verfahren dient zur Isolierung, Trennung und Bestimmung von chlorierten Phenolen im Gesamtverzehr. Dieser wurde sauer hydrolysiert, die Phenole wurden durch eine simultane Wasserdampfdestillation und ein Extraktionsverfahren mit Toluol isoliert. Beim anschließenden Derivatisierungsverfahren mit Pentafluorobenzylbromid entstanden auch Störungssubstanzen, sie wurden mittels Säulenchromatographie an Florisil abgetrennt. Die chromatographische Trennung und Bestimmung erfolgte unter Anwendung der Kapillargaschromatographie mit ECD. Die Wiederfindungsrate variierte zwischen 70.1±5 und 96.8±4.9% bei Nachweisgrenzen von 0.5 bis 1.0 g·kg^–1. Das Verfahren wurde zur Ermittlung der Exposition bei Kindern bis zu 6 Jahren und Jungen bis zu 18 Jahren verwendet. Im Laufe von 2 Jahren wurden 80 Proben des Gesamtverzehrs aus Kindereinrichtungen analysiert. Der Durchschnittsinhalt schwankte von 0.7 bis 33.5 g·kg^–1 mit Überwiegen von Dichlorophenolen. Die aus den bekannten Inhalten ermittelte Tagesaufnahme variiert zwischen 0.04 und 1.69 g·kg^–1 Körpermasse und Tag.

     

3D-Druck für Hochvakuumanwendungen

To mark our anniversary, we are presenting articles that have been particularly appreciated by readers of our online edition once again in print. Here: 3D-Printing for High Vacuum Applications 3D printing technology has made the leap from a home-based private practice to industrial manufacturing. Due to the increasing reliability of printers and increasing material diversity, especially in the metal sector, double-digit percentage growth rates are possible in the coming years. This thesis deals with the manufacture of parts made by 3D printing for high vacuum application. Different components are printed and examined for their vacuum compatibility. As shown furthermore, conventionally made standard components can be vacuum sealed to printed parts, which enables cost-effective production of more complex components, such as e.g. a vacuum chamber allows. In addition, functional components can already be realized in the manufacturing process. The integration of a system of flow channels directly into the wall of a chamber is just one example. Thus, such a chamber can be heated during evacuation and effectively cool in later operation.     

Scattering and space-charge effects in Wigner Monte Carlo simulations of single and double barrier devices

Transport in single and double barrier devices is studied using a Monte Carlo solver for the Wigner transport equation. This approach allows the effects of tunneling and scattering to be included. Several numerical methods have been improved to render the Wigner Monte Carlo technique more robust, including a newly developed particle annihilation algorithm. A self-consistent iteration scheme with the Poisson equation was introduced. The role of scattering and space charge effects on the electrical characteristics of n-i-n nanostructures, ultra-scaled double gate MOSFETs, and GaAs resonant tunneling diodes is demonstrated. An erratum to this article can be found at