Dynamics and self-assembly of bio-functionalized gold nanoparticles in solution: Reactive molecular dynamics simulations

The self-assembling properties, stability, and dynamics of hybrid nanocarriers (gold nanoparticles (AuNPs) functionalized with cysteine-based peptides) in solution are studied through a series of classical molecular dynamics simulations based on a recently parametrized reactive force field. The results reveal, at the atomic level, all the details regarding the peptide adsorption mechanisms, nanoparticle stabilization, aggregation, and sintering. The data confirm and explain the experimental findings and disclose aspects that cannot be scrutinized by experiments. The biomolecules are both chemisorbed and physisorbed; self-interactions of the adsorbates and formation of stable networks of interconnected molecules on the AuNP surfaces limit substrate reconstructions, protect the AuNPs from the action of the solvent, and prevent direct interactions of the gold surfaces. The possibility of agglomeration of the functionalized nanoparticles, compared with the sintering of the bare supports in a water solution, is demonstrated through relatively long simulations and fast steered dynamics. The analysis of the trajectories reveals that the AuNPs were well stabilized by the peptides. This prevented particle sintering and kept the particles far apart; however, part of their chains could form interconnections (crosslinks) between neighboring gold vehicles. The excellent agreement of these results with the literature confirm the reliability of the method and its potential application to the modeling of more complex materials relevant to the biomedical sector.

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On the logic of preference and judgment aggregation

Agents that must reach agreements with other agents need to reason about how their preferences, judgments, and beliefs might be aggregated with those of others by the social choice mechanisms that govern their interactions. The emerging field of judgment aggregation studies aggregation from a logical perspective, and considers how multiple sets of logical formulae can be aggregated to a single consistent set. As a special case, judgment aggregation can be seen to subsume classical preference aggregation. We present a modal logic that is intended to support reasoning about judgment aggregation scenarios (and hence, as a special case, about preference aggregation): the logical language is interpreted directly in judgment aggregation rules. We present a sound and complete axiomatisation. We show that the logic can express aggregation rules such as majority voting; rule properties such as independence; and results such as the discursive paradox, Arrow’s theorem and Condorcet’s paradox—which are derivable as formal theorems of the logic. The logic is parameterised in such a way that it can be used as a general framework for comparing the logical properties of different types of aggregation—including classical preference aggregation. As a case study we present a logical study of, including a formal proof of, the neutrality lemma, the main ingredient in a well-known proof of Arrow’s theorem.     

Internal and external factors of competitiveness shaping the future of wooden multistory construction in Finland and Sweden

In transitioning to a renewable material-based bio economy, growing public and industry interest is apparent for using wooden multistory construction (WMC) as a sustainable urban housing solution in Europe, but its business implications are not well understood. In our study, we evaluate, which internal and external factors of competitiveness are shaping the future of WMC, especially in the context of Finland and Sweden. Based on a multi-level perspective of socio-technical transitions, we conducted a three-stage dissensus-based Delphi study. The identified internal and external factors affecting the future competitiveness of the WMC business emphasize the importance of skilled architects and builders and the role of standardized building systems. Based on our results, the key aspects influencing the future competitiveness of WMC in the region are related to the development of technical infrastructure and project-based business networks, while additional changes in regulatory framework are perceived as less important. We conclude that towards 2030, the strong cognitive rules founded in the concrete-based building culture in these countries is likely to inhibit the dynamics of the socio-technical regime level. A change is also needed in the WMC business culture towards more open cross-sectoral collaboration and new business networks between different-sized players.     

Safety assessment of Lactobacillus strains: presence of putative risk factors in faecal, blood and probiotic isolates

The widespread use of immunosuppressive therapy and antimicrobial agents as well as novel probiotics without a long history of safe use has increased requirements for safety assessment of probiotic lactobacilli. In this study 44 faecal, 52 blood and 15 probiotic isolates (including 3 dairy strains) of Lactobacillus were assayed for their adhesion properties to extracellular matrix proteins and mucus, hemolysis, ability to avoid the induction of respiratory burst in peripheral blood mononucleocytes (PMN) and resistance to human serum. Among tested strains adhesion to collagen, fibrinogen and mucus was isolate-specific and no statistically significant differences were obtained between faecal, blood and probiotic isolates. However, blood isolates showed a trend for higher adhesion to mucus than probiotic strains (P=0.07). Probiotic strains induced lower respiratory burst in PMN when compared to the blood isolates (P<0.05). Moreover, there was a positive correlation between adhesion to collagen and induction of respiratory burst for faecal isolates (P<0.05). In the determination of serum resistance, probiotic strains showed a trend for lower sensitivity to human serum-mediated killing when compared to the faecal isolates (P=0.07). None of the measurable virulence factors were found to be present at statistically higher level in clinical blood isolates when compared to faecal and/or probiotic isolates indicating that these factors do not cause risk when safety of probiotics is considered. However, the significance of adhesion to mucus, low induction of respiratory burst in PMN and resistance to human serum-mediated killing may need further evaluation in experimental animal models and in epidemiological data.     

Exploring agile values in method configuration

The Method for Method Configuration (MMC) has been proposed as a method engineering approach to tailoring information systems development methods. This meta-method has been used on a variety of methods, but none of these studies have focused on the ability to manage method tailoring with the intention to promote specific values and goals, such as agile ones. This paper explores how MMC has been used during three software development projects to manage method tailoring with the intention to promote agile goals and values. Through content examples of method configurations we have shown that it is possible to use MMC and its conceptual framework on eXtreme Programming and we report on lessons learned with regard to maintaining coherency with the overall goals of the original method.     

Drought Stress Alters the Concentration of Wood Terpenoids in Scots Pine and Norway Spruce Seedlings

Drought is known to have an impact on the resistance of conifers to various pests, for example, by affecting resin flow in trees. Little is known, however, about the quantitative and qualitative changes in resin when trees are growing in low moisture conditions. We exposed Scots pine (Pinus sylvestris L.) and Norway spruce (Picea abies (L.) Karst.) seedlings to medium and severe drought stress for two growing seasons and analyzed the monoterpenes and resin acids in the main stem wood after two years of treatment. In addition to secondary chemistry, we measured the level of nutrients in the needles and the growth response of seedlings. After the first year of treatment, drought stress did not affect the growth of seedlings, but in the second year, shoot growth was retarded, especially in Scots pine. In both conifer species, severe drought increased the concentrations of several individual monoterpenes and resin acids. Total monoterpenes and resin acids were 39 and 32% higher in severe drought-treated Scots pine seedlings than in the controls, and 35 and 45% higher in Norway spruce seedlings. In Scots pine needles, the concentrations of nitrogen and phosphorus increased, while magnesium and calcium decreased compared to controls. In Norway spruce needles, nutrient concentrations were not affected. The results suggest that drought stress substantially affects both the growth of conifers and the chemical quality of the wood. We discuss the potential trade-off in growth and defense of small conifer seedlings.     

An interpretation of probability in the law of evidence based on pro-et-contra argumentation

The purpose of this paper is to improve on the logical and measure-theoretic foundations for the notion of probability in the law of evidence, which were given in my contributions Åqvist [ (1990) Logical analysis of epistemic modality: an explication of the Bolding–Ekelöf degrees of evidential strength. In: Klami HT (ed) Rätt och Sanning (Law and Truth. A symposium on legal proof-theory in Uppsala May 1989). Iustus Förlag, Uppsala, pp 43–54; (1992) Towards a logical theory of legal evidence: semantic analysis of the Bolding–Ekelöf degrees of evidential strength. In: Martino AA (ed) Expert systems in law. Elsevier Science Publishers BV, Amsterdam, North-Holland, pp 67–86]. The present approach agrees with the one adopted in those contributions in taking its main task to be that of providing a semantic analysis, or explication, of the so called Bolding–Ekelöf degrees of evidential strength (“proof-strength”) as applied to the establishment of matters of fact in law-courts. However, it differs from the one advocated in our earlier work on the subject in explicitly appealing to what is known as “Pro-et-Contra Argumentation”, after the famous Norwegian philosopher Arne Naess. It tries to bring out the logical form of that interesting kind of reasoning, at least in the context of the law of evidence. The formal techniques used here will be seen to be largely inspired by the important work done by Patrick Suppes, notably Suppes [(1957) Introduction to logic. van Nostrand, Princeton and (1972) Finite equal-interval measurement structures. Theoria 38:45–63].     

Catalytic Oxidation of Dichloromethane and Perchloroethylene: Laboratory and Industrial Scale Studies

Development of a reliable laboratory scale test for the design of industrial catalysts is crucial. In this article, different laboratory-scale tests were compared with an industrial scale CVOCs treatment. With dichloromethane (DCM) the laboratory scale test results corresponded well to the industrial scale oxidation results. However, the perchloroethylene (PCE) conversions measured in industry were always higher than what was achieved in the laboratory scale indicating that the industrial scale catalytic incinerator operating in transient conditions is highly beneficial in PCE oxidation. It was clearly shown that in order to design high-quality laboratory scale experiments, information on complete composition and total concentration of the emission is needed but also different types of catalytic tests need to be used depending on the industrial reactor. In addition, the catalysts’ performance in an industrial VOC abatement unit was examined as the oxidation efficiencies of DCM, PCE and other hydrocarbons (OHC) were compared after 3, 10 and 23 months of operation. After 23 months and 13,065 operating hours, no significant decrease in the activity of the catalysts was observed showing that the used noble metal catalysts are highly resistant towards these demanding conditions.     

Efficacy and environmental acceptability of two ballast water treatment chemicals and an alkylamine based-biocide

Ship's ballast waters transport large numbers of organisms which may become invasive in coastal regions. One option to address this problem is the use of biocides as ballast water treatment (BWT). Efficacy and environmental acceptability of three commercial active substances (the BWT biocides Peraclean^® Ocean and Seakleen^®, and alkylamine-based biocide Mexel^® 432/336) were tested against three bacteria species, two vegetative microalgae and one zooplanktonic larva, in 10 and 30 Practical Salinity Unit (PSU) waters. In both salinities, PeraClean^® Ocean was the most effective biocide against bacteria causing > 90% mortality at 20 mg/l, compared with 50 mg/l for Mexel^® 432/336 and > 500 mg/l for Seakleen^®. Regarding zooplankton, Seakleen^® was the most effective chemical causing 90% mortality in 24 h at concentrations < 6 mg/l (LC90_24 h) in both salinities, compared with 23 and 26 mg/l for Mexel^® 432/336 and 370 and 480 mg/l for PeraClean^® Ocean in 10 and 30 PSU, respectively. Similar pattern of efficacy was obtained for microalgae in 30 PSU: effective concentrations inducing 50% growth inhibition in 4 days were ≤ 1.6 mg/l for Seakleen^®, ≤ 10.1 mg/l for Mexel^® 432/336 and ≤ 30.9 mg/l for PeraClean^® Ocean. Our work highlighted that treated waters displayed residual toxicity after 24 h still inducing mortality depending on the organism and biocide. However Mexel^® 432/336 is the only biocide which had no impact on oyster larvae development at effective concentration. Altogether our data showed that Mexel^® 432/336 was the only biocide displaying a broad spectrum efficacy in concentrations < 50 mg/l and not toxic for oyster larvae development at this concentration. However residual toxicity of treated waters for any organism should be taken into account in BWT systems utilising biocides.     

A microbiological screening method for the indication of irradiation of frozen poultry meat

A microbiological screening method for the detection of irradiation of frozen poultry meat was developed on the basis of the combined use of total cell count by the direct epifluorescent filter technique (DEFT) and viable cell count by the aerobic plate count method (APC). Samples of ground, deboned poultry leg were irradiated or not with dose levels of 3, 5 and 7 kGy using an electron beam accelerator. All samples were frozen before the irradiation treatment. The average values of the differences between DEFT and APC counts in control samples and those irradiated with doses of 3, 5 and 7 kGy were 1.14 log units for control samples, and 3.16, 3.68 and 3.79 log units for the irradiated samples. A difference of at least 2 log units can therefore be considered as a limit value indicating probable irradiation treatment necessitating further investigations.

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Anwendung eines mikrobiologischen Unterscheidungsverfahrens zum Nachweis der Bestrahlung von gefrorenem Hühnerfleisch

Zusammenfassung Es wurde ein mikrobiologisches Verfahren zum Nachweis der Bestrahlung von tiefgefrorenem Hühnerfleisch auf der Basis kombinierten Einsatzes direkter Epifluoreszenzfiltertechnik (DEFT) und Kolonieauszählung (APC) entwickelt. Die Proben - knochenfreie, zerkleinerte Hühnerschenkel - waren entweder unbestrahlt oder mit einem Elektronenbeschleuninger mit Dosen von 3, 5 bzw. 7 kGy bestrahlt worden. Alle Proben waren vor der Bestrahlung eingefroren worden. Die Mittelwerte der Differenzen zwischen den DEFT- und den APC-Ergebnissen betrugen bei den unbestrahlten Proben 1,14 logarithmische Einheiten und bei den mit 3, 5 bzw. 7 kGy bestrahlten Proben 3,16, 3,68 bzw. 3,79 logarithmische Einheiten. Die Differenz von wenigstens zwei logarithmischen Einheiten kann als Grenze für die Möglichkeit eines Nachweises eventueller Bestrahlung betrachtet werden und macht weitere Untersuchungen erforderlich.