Electrospray tandem mass spectrometry of intact beta-chain hemoglobin variants

In this report, we present data to illustrate how human hemoglobin (Hb) variants can be identified by electrospray tandem mass spectrometry (MS/MS) of the intact Hb chains following the one-step dilution of whole blood. MS/MS spectra were recorded on a series of intact beta-chain human Hb variants. The resultant spectra were interpreted, and using the information gleaned from the fragmentation patterns of known variants, two unknown beta-chain variants were characterized solely by this mass spectrometric method. Fragment ions that serve to identify beta-chain variants were identified. The fragmentation patterns of the intact beta-chain [M + 18H]18+ ions showed classical facile cleavages adjacent to acidic residues and N-terminal to proline residues, with Thr50-Pro51 being the most prominent cleavage site. Abundant product ions were formed by peptide bond cleavage in the regions close to the termini of the beta chain, the central region being less well-represented in the MS/MS spectra. Nearly 50% of the beta-chain primary structure could be determined by MS/MS of the intact chain. However, analysis of the Hb variants where mutations have occurred in the inner region (residues 58-111) of the beta globin proved to be difficult and required mass spectrometric analysis of their tryptic peptides for a complete identification.     

A multigrid solver for phase field simulation of microstructure evolution

This paper presents a semi-implicit numerical method for the simulation of grain growth in two dimensions with a multi-phase field model. To avoid the strong stability condition of traditional explicit methods, a first-order, semi-implicit discretisation scheme is employed, which offers a good compromise with regard to memory intensity and computational requirements. A nonlinear multigrid solver based on the Full Approximation Scheme is implemented to solve the equations resulting from this discretisation. Simulations with the multigrid solver show that the solver has grid size independent convergence properties and is faster than a standard first-order explicit solver. As such, the multigrid solver promises to be a reliable additional computational tool for the simulation of microstructural evolution. A comparison with existing alternatives remains, however, subject of further investigation. To validate the implementation, the results of specific test cases are studied.     

Comparison of toxicity and release rates of Cu and Zn from anti-fouling paints leached in natural and artificial brackish seawater

Biocide-containing anti-fouling paints are regulated and approved according to the added active ingredients, such as Cu. Biocide-free paints are considered to be less environmentally damaging and do not need an approval. Zn, a common ingredient in paints with the potential of causing adverse effects has received only minor attention. Laboratory experiments were conducted in artificial brackish seawater (ASW) and natural brackish seawater (NSW) to quantify release rates of Cu and Zn from biocide-containing and biocide-free labeled eroding anti-fouling paints used on commercial vessels as well as leisure boats. In addition, organisms from three trophic levels, the crustacean Nitocra spinipes, the macroalga Ceramium tenuicorne and the bacteria Vibrio fischeri, were exposed to Cu and Zn to determine the toxicity of these metals. The release rate of Cu in NSW was higher from the paints for professional use (3.2-3.6 µg cm⁻² d^− 1) than from the biocide leaching leisure boat paint (1.1 µg cm⁻² d^− 1). Biocide-free paints did leach considerably more Zn (4.4-8.2 µg cm⁻² d^− 1) than biocide-containing leisure boat paint (3.0 µg cm⁻² d^− 1) and ship paints (0.7-2.0 µg cm⁻² d^− 1). In ASW the release rates of both metals were notably higher than in NSW for most tested paints. The macroalga was the most sensitive species to both Cu (EC₅₀ = 6.4 µg l^− 1) and Zn (EC₅₀ = 25 µg l^− 1) compared to the crustacean (Cu, LC₅₀ = 2000 µg l^− 1 Zn, LC₅₀ = 890 µg l^− 1), and the bacteria (Cu, EC₅₀ = 800 µg l^− 1 and Zn, EC₅₀ = 2000 µg l^− 1). The results suggest that the amounts of Zn and Cu leached from anti-fouling paints may attain toxic concentrations in areas with high boat density. To fully account for potential ecological risk associated with anti-fouling paints, Zn as well as active ingredients should be considered in the regulatory process.     

Novel C-terminally truncated isoforms of the CXC chemokine beta-thromboglobulin and their impact on neutrophil functions

The neutrophil agonist neutrophil-activating peptide-2 (NAP-2) arises through proteolytic processing of platelet-derived N-terminally extended inactive precursors, the most abundant one being connective tissue-activating peptide-III (CTAP-III). Apart from N-terminal processing, C-terminal processing also appears to participate in the functional regulation of NAP-2, as indicated by our recent identification of an isoform missing four C-terminal amino acids, NAP-2 (1-66), which was about threefold more potent than full-size NAP-2. In the present study, we report on the discovery and identification of natural NAP-2 (1-63), an isoform truncated by seven C-terminal residues. Functional and receptor-binding analyses demonstrated that NAP-2 (1-63) represents the most active isoform, being about fivefold more potent than full-size NAP-2. Analyses of rNAP-2 isoforms successively truncated at the C terminus by up to eight residues suggest functionally important roles for acidic residues and for the leucine at position 63, a residue highly conserved within CXC chemokines. Finally, we report on a novel C-terminally truncated isoform of CTAP-III (CTAP-III (1-81)) representing the potential precursor of NAP-2 (1-66). We show that C-terminal truncation in CTAP-III enhances its potency to desensitize chemokine-induced neutrophil activation, indicating that C-terminal processing might not only serve to enhance neutrophil activation, but might as well participate in the down-regulation of an inflammatory response.     

Ethische Leitlinien der GI

Seit Ihrer Verabschiedung im Jahr 1994 waren die Ethischen Leitlinien der Gesellschaft für Informatik Gegenstand zuweilen kontroverser Diskussionen. Einerseits wurde begrüßt, dass sich die GI verbindlich an ein ethisches Regelwerk bindet und dadurch ihren Mitgliedern einen Leitfaden an die Hand gibt, um in Konfliktsituationen besser entscheiden zu können. Andererseits wurde bemängelt, dass die Ethischen Leitlinien Forderungen stellten, die für professionelles Handeln unabdingbar seien und deshalb keine ethischen Ansprüche darstellten. Des Weiteren wurde kritisiert, dass die Ethischen Leitlinien zu sehr im Abstrakten verharrten und deshalb keine konkrete Handlungsanweisung geben könnten. Die fachlichen und überfachlichen Anforderungen wurden zuweilen als zu anspruchsvoll empfunden. Einige dieser Kritikpunkte sind sicherlich berechtigt.Im November 2001 begann der Arbeitskreis Informatik und Verantwortung im Fachbereich Informatik und Gesellschaft (IuG) mit der Überarbeitung der Ethischen Leitlinien. Der hier vorgelegte Entwurf greift einige dieser Kritikpunkte auf. Seine Publikation soll eine breitere Diskussion innerhalb der GI ermöglichen. Die Autorinnen und Autoren dieses Entwurfs freuen sich auf diese Auseinandersetzung, die in der letzten Sitzung des Arbeitskreises durch den Vertreter der Selbständigen in der GI mit dem Hinweis begonnen wurde, dass den Leitlinien ein Berufsbild zugrunde liegt, in dem die Selbständigen nicht vorkommen.Die anlässlich der Informatik 2003 gegründete Fachgruppe Informatik und Ethik wird sich zu ihrer ersten Aufgabe machen, die Ergebnisse dieser Diskussion in die endgültige Version einfließen zu lassen. Entsprechende Diskussionsbeiträge und Anregungen sollten an Karl-Heinz Rödiger (E-Mail: roediger@informatik.uni-bremen.de), kommissarischer Sprecher der Fachgruppe, gerichtet werden.     

Ring trial validation of single and multiplex real-time PCR methods for the detection and quantification of the allergenic food ingredients sesame,almond, lupine and Brazil nut

The inter-laboratory (=ring-trial) validation of 4 food allergen quantification methods using real-time PCR is described. Three single real-time PCR methods for the specific detection and quantification of sesame, almond and Brazil nut were used. Additionally, a multiplex real-time PCR method combining the detection of sesame, almond, Brazil nut and lupine was tested in parallel. Matrix based calibrants (rice cookies) spiked (=incurred) with defined amounts of sesame, almond, lupine and Brazil nut were applied for quantitative evaluation. Cookies based upon wheat and rice flour as well as sauce hollandaise powder each incurred with these allergenic ingredients in the range of 10–123 milligram per kilogram were used as ring-trial samples. The lowest spike level of 10 mg/kg could reproducibly be detected by 6 of 7 PCR systems. In quantitative evaluation of the results, reproducibility standard deviations of approximately 50 % and below were obtained. In addition, the effect of the food matrix on allergen quantification was examined. The range of “recoveries” over all matrices and methods was from 43 to 109 %.     

Increased Interface Strength in Carbon Fiber Composites through a ZnO Nanowire Interphase

One of the most important factors in the design of a fiber reinforced composite is the quality of the fiber/matrix interface. Recently carbon nanotubes and silicon carbide whiskers have been used to enhance the interfacial properties of composites; however, the high growth temperature degrade the fiber strength and significantly reduce the composite's in‐plane properties. Here, a novel method for enhancing the fiber/matrix interfacial strength that does not degrade the mechanical properties of the fiber is demonstrated. The composite is fabricated using low‐temperature solution‐based growth of ZnO nanowires on the surface of the reinforcing fiber. Experimental testing shows the growth does not adversely affect fiber strength, interfacial shear strength can be significantly increased by 113%, and the lamina shear strength and modulus can be increased by 37.8% and 38.8%, respectively. This novel interface could also provide embedded functionality through the piezoelectric and semiconductive properties of ZnO.