CAMERA: an integrated strategy for compound spectra extraction and annotation of liquid chromatography/mass spectrometry data sets

Liquid chromatography coupled to mass spectrometry is routinely used for metabolomics experiments. In contrast to the fairly routine and automated data acquisition steps, subsequent compound annotation and identification require extensive manual analysis and thus form a major bottleneck in data interpretation. Here we present CAMERA, a Bioconductor package integrating algorithms to extract compound spectra, annotate isotope and adduct peaks, and propose the accurate compound mass even in highly complex data. To evaluate the algorithms, we compared the annotation of CAMERA against a manually defined annotation for a mixture of known compounds spiked into a complex matrix at different concentrations. CAMERA successfully extracted accurate masses for 89.7% and 90.3% of the annotatable compounds in positive and negative ion modes, respectively. Furthermore, we present a novel annotation approach that combines spectral information of data acquired in opposite ion modes to further improve the annotation rate. We demonstrate the utility of CAMERA in two different, easily adoptable plant metabolomics experiments, where the application of CAMERA drastically reduced the amount of manual analysis.     

Caught between ecology and economy: end-of-life aspects of environmentally conscious manufacturing

Realizing what is actually discussed as Sustainable Development, among others leads to the need of dematerializing our industrial economy. Here, one approach is to set up cyclical systems, connecting production, logistic and recycling processes in an environmentally-sound manner.This paper shows some of the latest results of the Fraunhofer IML's applied-research activities in this field with special regard to reverse logistics, disassembly and recycling. Thus, it gives an idea of some of the important aspects currently under discussion in the industry when setting up economically viable end-of-life solutions.Starting with a short overview on the legal situation and the responsibility of the producers for end-of-life products, this paper comes up with a new approach for systematically analyzing and modeling end-of-life networks. The last part discusses some real-life recycling networks using the Deutsche Telekom and AGR/Electrocycling, one of the biggest recyclers for electrical and electronic equipment in Germany, as well as the recycling of refrigerators as examples and shows ways of improving the existing and new systems from both an ecological and economical point of view.     

Demonstration of magnetic dipole resonances of dielectric nanospheres in the visible region

Strong resonant light scattering by individual spherical Si nanoparticles is experimentally demonstrated, revealing pronounced resonances associated with the excitation of magnetic and electric modes in these nanoparticles. It is shown that the low-frequency resonance corresponds to the magnetic dipole excitation. Due to high permittivity, the magnetic dipole resonance is observed in the visible spectral range for Si nanoparticles with diameters of ～200 nm, thereby opening a way to the realization of isotropic optical metamaterials with strong magnetic responses in the visible region.     

Interplay of wrinkles, strain, and lattice parameter in graphene on iridium

Following graphene growth by thermal decomposition of ethylene on Ir(111) at high temperatures we analyzed the strain state and the wrinkle formation kinetics as function of temperature. Using the moiré spot separation in a low energy electron diffraction pattern as a magnifying mechanism for the difference in the lattice parameters between Ir and graphene, we achieved an unrivaled relative precision of ±0.1 pm for the graphene lattice parameter. Our data reveals a characteristic hysteresis of the graphene lattice parameter that is explained by the interplay of reversible wrinkle formation and film strain. We show that graphene on Ir(111) always exhibits residual compressive strain at room temperature. Our results provide important guidelines for strategies to avoid wrinkling.     

Use of alkyl ketene dimer (AKD) for surface modification of particleboard chips

The study objective was to impart urea-formaldehyde (UF) bonded particleboards higher and longer-lasting hydrophobicity than that resulting from conventionally used paraffin. Alkyl ketene dimer (AKD) is a paper sizing agent that can theoretically esterify wood compounds and result in a surface modification. Particles were 1) impregnated with an aqueous AKD-solution and cured at 130 °C prior to gluing, or 2) sprayed with a mixture of AKD-solution and UF-resin in a single step. Boards with and without paraffin wax were used as controls. Thickness swelling after 2, 24, and 48 h immersion was decreased by 90, 62, and 59% when the chips were impregnated with AKD in comparison to untreated control boards. Water uptake after 2, 24, and 48 h was reduced by 91, 75, and 60%. AKD-impregnation with subsequent curing decreased the internal bond strength by 53%, indicating that AKD impedes the adhesion. The mixture of AKD and UF-glue did not result in considerable hydrophobicity. Increased methyl/methylene and carbonyl bands in FTIR-spectra after toluene-extraction suggest that AKD partially formed ester bonds at the wood surface.     

Untersuchung von Dauervollmilch und eingedickter Vollmilch

Ohne ZusammenfassungMitteilung aus dem Chemischen Untersuchungsamte der Stadt Altona     

The ethical nature of critical research in information systems

Abstract.  Critical research in information systems is based on and inspired by ethics and morality. In order to support this proposition, this paper will suggest a way of classifying critical research that differs from definitions common IS research. According to the current definition, research is critical when it is motivated by the intention to change social realities and promote emancipation. Based on this critical intention, critical research is furthermore characterized by critical topics, critical theories, and critical methodologies. Using these criteria of critical research, the paper argues that critical research is ethical in nature. To support this view, the paper introduces the concepts of ethics and morality by analysing two traditions of moral philosophy, here called the 'German tradition' and the 'French tradition'. Using three examples of current critical research in information systems, the paper will show that ethics and morality strongly influence critical intention, topics and theories. Having thus established the ethical nature of critical research, the paper concludes by discussing the weaknesses of critical research from the point of view of ethics and morality.     

Gain–loss frames and cooperation in two-person social dilemmas: A transformational analysis.

Cooperation in 2-person social dilemmas was examined when people frame outcomes as gains or as losses. It was argued that losses loom larger than gains and that depending on people's social motive, behavioral options in social dilemmas are valued differently. Results of 3 experiments supported the predictions based on prospect theory and interdependence theory: Pro-socials (cooperators) cooperated more in a loss than in a gain frame, whereas individualists cooperated less in a loss than in a gain frame. Unexpectedly, competitors cooperated as little in a loss as in a gain frame, which was attributed to a floor effect. It was concluded that this research explains inconsistent findings from previous research on gain-loss frames and shows that loss-framed individuals pursue their cooperative or individualistic goals to a greater extent than gain-framed individuals but pursue their competitive goals to about the same extent. (PsycINFO Database Record (c) 2011 APA, all rights reserved)