Assessment of space division strategies for generation of adequate computational models for solid foams

The present study is concerned with a competitive assessment of different strategies for the division of space in the generation of computational models for the microstructure of solid foams for a numerical analysis of their properties. The study includes the standard (Γ‐) Voronoi procedure, the δ-Voronoi procedure, a Voronoi procedure in Laguerre geometry as well as a simple foam evolution strategy. In addition to the basic versions of the individual strategies, smoothing and optimization approaches are used for a further improvement of the generated computational models. The quality of the models is assessed in terms of two quantitative criteria where the first criterion is the Kelvin parameter whereas the second criterion is based on the error in the statistical cell size distribution compared to experimental observations reported in the literature. All strategies are applied to the simplified case of two-dimensional model foams. Nevertheless, the results can be generalized to the three-dimensional case in a straight forward manner.     

Novel polyamide nanocomposites based on silicate nanotubes of the mineral halloysite

In this study, the silicate nanotubes of the mineral halloysite will be used as reinforcement in polyamide-6 (PA 6). The nanocomposites based on PA-6 and as-received halloysite were prepared by melt extrusion and an adjacent injection moulding process. Mechanical and thermomechanical properties have been investigated by tensile testing and dynamic mechanical analysis. The results show an increased strength and stiffness as well as an enhanced elongation at break at low halloysite content. To evaluate the potential of halloysite as a new candidate in the class of nanofillers, the properties of the halloysite nanocomposites has been compared to those of conventional nanocomposites based on organically modified montmorillonite. From this comparison it can be seen, that both types of nanocomposites show enhanced tensile properties as well as an increased storage modulus, but the increase in tensile strength is more pronounced in the organoclay nanocomposites, whereas the raise of the storage modulus is more prominent in the halloysite nanocomposites.     

The impact of the EU ETS on the sectoral innovation system for power generation technologies – Findings for Germany

This paper provides an overview of early changes in the sectoral innovation system for power generation technologies which have been triggered by the European Emission Trading System (EU ETS). Based on a broad definition of the sector, our research analyses the impact of the EU ETS on the four building blocks ‘knowledge and technologies’, ‘actors and networks’, ‘institutions’, and ‘demand’ by combining two streams of literature, namely systems of innovation and environmental economics. Our analysis for Germany is based on 42 exploratory interviews with experts in the field of the EU ETS, the power sector, and technological innovation. We find that the EU ETS mainly affects the rate and direction of technological change of power generation technologies within the large-scale, coal-based power generation technological regime, to which carbon capture technologies are added as a new technological trajectory. While this impact can be interpreted as the defensive behaviour of incumbents, the observed changes should not be underestimated. We argue that the EU ETS’ impact on corporate CO₂ culture and routines may prepare the ground for the transition to a low-carbon sectoral innovation system for power generation technologies.     

The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH‐like 2‐Heptyl‐3‐hydroxy‐4(1H)‐quinolone (PQS) Biosynthesis Enzyme PqsBC

Pseudomonas aeruginosa is a bacterial pathogen that causes life‐threatening infections in immunocompromised patients. It produces a large armory of saturated and mono‐unsaturated 2‐alkyl‐4(1H)‐quinolones (AQs) and AQ N‐oxides (AQNOs) that serve as signaling molecules to control the production of virulence factors and that are involved in membrane vesicle formation and iron chelation; furthermore, they also have, for example, antibiotic properties. It has been shown that the β‐ketoacyl‐acyl‐carrier protein synthase III (FabH)‐like heterodimeric enzyme PqsBC catalyzes the last step in the biosynthesis of the most abundant AQ congener, 2‐heptyl‐4(1H)‐quinolone (HHQ), by condensing octanoyl‐coenzyme A (CoA) with 2‐aminobenzoylacetate (2‐ABA), but the basis for the large number of other AQs/AQNOs produced by P. aeruginosa is not known. Here, we demonstrate that PqsBC uses different medium‐chain acyl‐CoAs to produce various saturated AQs/AQNOs and that it also biosynthesizes mono‐unsaturated congeners. Further, we determined the structures of PqsBC in four different crystal forms at 1.5 to 2.7 Å resolution. Together with a previous report, the data reveal that PqsBC adopts open, intermediate, and closed conformations that alter the shape of the acyl‐binding cavity and explain the promiscuity of PqsBC. The different conformations also allow us to propose a model for structural transitions that accompany the catalytic cycle of PqsBC that might have broader implications for other FabH‐enzymes, for which such structural transitions have been postulated but have never been observed.     

Resolving function-based conflicts in groupware systems

In groupware tools, the activation of a function may affect other users who might have conflicting interests. We developed technical mechanisms to support users in resolving them. Contrary to current implementations of groupware tools, these mechanisms strengthen the position of the users who are affected by the activation of said functions. Supporting the visibility of a function's activation, and providing a channel for communication or means to intervene against the function's activation are approaches which constitute a framework to implement these mechanisms. We conclude with showing implementation examples of the framework and their evaluation in the POLITeam project.     

Organic matter preservation in the sediment of an acidic mining lake

Sustainable management of acidic mining lakes requires knowledge on the origin and reactivity of its sedimentary organic matter. We identified different pools of organic matter (OM) in the Fe-rich sediment (up to 35 wt %) of an acidic (pH 2.8) mining lake using delta13C-signals, C/N ratios, and the markers alkanes, lignin-derived phenols, and benzenepolycarboxylic acids (BPCA). Additionally, a density fractionation was applied to each sediment layer. Three fractions, aquatic (AOM), terrestrial (TOM), and lignite-derived (LOM) organic matter, were discriminated, of which AOM comprises only a small fraction, with a minimum at the sediment bottom. The terrestrial contribution to sedimentary OM is higher than that of AOM but still low throughout the sediment core, whereas lignite-derived OM constitutes the major C-fraction, even in the upper sediment layers. The size of the carbon pools was quantified with a mass-balance approach, in which the BPCA content was utilized as an estimate for the lignite fraction in combination with the delta13C-signals of the three C fractions. The largest amount of OM was found in the heaviest (>2.4 g cm3) of the three density fractions of the two upper sediment layers, which implies strong interaction with iron hydroxides. Comparisons with C-oxidation rates revealed that besides the refractory origin of the OM, sorptive preservation by solid iron phases controls C-reactivity in the sediment and, hence, the internal neutralization capacity of the lake system.     

Prediction of the effects of soil-based countermeasures on soil solution chemistry of soils contaminated with radiocesium using the hydrogeochemical code PHREEQC

For agriculturally used areas, which are contaminated by the debris from a nuclear accident, the use of chemical amendmends (e.g. potassium chloride and lime) is among the most common soil-based countermeasures. These countermeasures are intended to reduce the plant uptake of radionuclides (mainly 137Cs and 90Sr) by competitive inhibition by chemically similar ions. So far, the impacts of countermeasures on soil solution composition - and thus, their effectiveness - have almost exclusively been established experimentally, since they depend on mineral composition and chemical characteristics of the soil affected. In this study, which focuses on caesium contamination, the well-established code PHREEQC was used as a geochemical model to calculate the changes in the ionic compositions of soil solutions, which result from the application of potassium or ammonium in batch equilibrium experiments. The simple ion exchange model used by PHREEQC was improved by taking into account selective sorption of Cs+, NH4+ and K+ by clay minerals. Calculations were performed with three different initial soil solution compositions, corresponding to particular soil types (loam, sand, peat). For loamy and sandy soils, our calculational results agree well with experimental data reported by Nisbet (Effectiveness of soil-based countermeasures six months and one year after contamination of five diverse soil types with caesium-134 and strontium-90. Contract Report NRPB-M546, National Radiation Protection Board, Chilton, 1995.). For peat, discrepancies were found indicating that for organic soils a reliable set of exchange constants of the relevant cations still has to be determined experimentally. For cesium, however, these discrepancies almost disappeared if selective sites were assumed to be inaccessible. Additionally, results of sensitivity analyses are presented by which the influence of the main soil parameters on Cs+ concentrations in solution after soil treatment has been systematically studied. It is shown that calculating the impacts of soil-based chemical countermeasures on soil solution chemistry using geochemical codes such as PHREEQC offers an attractive alternative to establishing these impacts by often time-consuming and site-specific experiments.