Molecular modeling of antibody-antigen complexes between the Brucella abortus O-chain polysaccharide and a specific monoclonal antibody

A molecular model of the binding site of an anti-carbohydrateantibody (YsT9.1) has been developed using computer-assistedmodeling techniques and molecular dynamics calculations. Sequencehomologies among YsT9.1 and the Fv regions of McPC603, J539and human Bence-Jones protein REI, all of which have solvedcrystal structures, provided the basis for the modeling. Thegroove-type combining site model had a topography which wascomplementary to low energy confonners of the polysaccharide,a Brucella O-antigen, and the site could be almost completelyfilled by a pentasaccharide epitope in either of two dockingmodes. Putative interactions between this epitope and the antibodyare consistent with the known structural requirements for bindingand lead to the design of oligosaccharide inhibitors that probethe veracity of the modeled docked complex. Ultimately boththe Fv model and the docked complex will be compared with independentcrystal structures of YsT9.1 Fab with and without pentasaccharideinhibitor, currently at the stage of refinement.     

Identification of intra-individual variation in intracranial arterial flow by MRI and the effect on computed hemodynamic descriptors

Magnetic Resonance Materials in Physics, Biology and Medicine - To determine the intra-individual flow variation in serially acquired studies, and the influence of this variation on subsequent...     

Korrosion von ölgefeuerten Zentralheizungskesseln

Corrosion of oil-fired domestic boilers Depending on the surface temperature of the flue gas side the corrosion of oil fired domestic boilers proceeds either mainly by acid corrosion or by oxygen corrosion:

• – At surface temperatures of 60°C and higher the corrosion mechanism of acid corrosion prevails and the corrosion rates amount to 0.1–0.3 mm/year (values referred to continuous burner operation). The corrosion products consist of soluble iron(II)- and iron(III)sulfates. Higher corrosion rates can be attributed to an appreciable catalytic formation of sulfur trioxide on the corrosion products formed on the convective heating surfaces.
• – At surface temperatures of 40°C the mechanism of oxygen corrosion already dominates and the corrosion rates are about ten times higher (1.5–3 mm/year, referred to continous burner operation). The high portion of ioron oxide hydrates, especially goethit (α-FeOOH), makes the corrosion products difficult to remove.
• – Distinctly reduced service lives are also expected for the so called reduced temperature boilers (“Niedertemperaturkessel”) and low temperature boiers (“Tieftemperaturkessel”): According to the manufacturers these boilers may be operated at boiler water temperatures well below 60°C, as they are equipped with constructive measures to enhance the surface temperature on the flue gas side. However, these measures are only fully effective under stationary conditions.

Some of the results were obtained from weight loss measurements on test specimen made from St 35.8 and gray cast iron, that were exposed to the flue gases of an oil fired experimental boiler. Other important results come from field measurements of the sulfuric acid content of about 30 boilers that are in practical use.     

Fracture and mechanical properties of P100 Gr/6061 Al composite

The effects of heat treatments on the mechanical and fracture properties of continuous fiber Pitch 100 graphite/6061 aluminum (P100 Gr/6061 Al) composite were evaluated by varying solution temperature and aging time. All heat treatments resulted in decreased mechanical properties due to the reaction at the fiber/matrix interface during solution treatments. SEM analysis of the fractured samples showed a large degree of fiber pullout, interface failure, and matrix cracking.     

Debugging mixed‐environment programs with Blink

Programmers build large‐scale systems with multiple languages to leverage legacy code and languages best suited to their problems. For instance, the same program may use Java for ease of programming and C to interface with the operating system. These programs pose significant debugging challenges, because programmers need to understand and control code across languages, which often execute in different environments. Unfortunately, traditional multilingual debuggers require a single execution environment. This paper presents a novel composition approach to building portable mixed‐environment debuggers, in which an intermediate agent interposes on language transitions, controlling and reusing single‐environment debuggers. We implement debugger composition in Blink, a debugger for Java, C, and the Jeannie programming language. We show that Blink is (i) simple: it requires modest amounts of new code; (ii) portable: it supports multiple Java virtual machines, C compilers, operating systems, and component debuggers; and (iii) powerful: composition eases debugging, while supporting new mixed‐language expression evaluation and Java native interface bug diagnostics. To demonstrate the generality of interposition, we build prototypes and demonstrate debugger language transitions with C for five of six other languages (Caml, Common Lisp, C#, Perl 5, Python, and Ruby) without modifications to their debuggers. Using real‐world case studies, we show that diagnosing language interface errors require prior single‐environment debuggers to restart execution multiple times, whereas Blink directly diagnoses them with one execution. Copyright © 2014 John Wiley & Sons, Ltd.     

Selective detection of molecular ions in dc discharges by dual-beam Fourier transform spectroscopy

A new method to detect molecular ions selectively in gas discharges by Fourier transform emission spectroscopy is proposed. This method is by dual-beam optical subtraction. The difference spectrum between blue and red Doppler-shifted components is obtained directly thus eliminating the large background that is due to neutral precursors.     

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