Fuzzy arithmetic-based interpolative reasoning for nonlinear dynamic fuzzy systems

FAIR (fuzzy arithmetic-based interpolative reasoning)—a fuzzy reasoning scheme based on fuzzy arithmetic, is presented here. Linguistic rules of the Mamdani type, with fuzzy numbers as consequents, are used in an inference mechanism similar to that of a Takagi–Sugeno model. The inference result is a weighted sum of fuzzy numbers, calculated by means of the extension principle. Both fuzzy and crisp inputs and outputs can be used, and the chaining of rule bases is supported without increasing the spread of the output fuzzy sets in each step. This provides a setting for modeling dynamic fuzzy systems using fuzzy recursion. The matching in the rule antecedents is done by means of a compatibility measure that can be selected to suit the application at hand. Different compatibility measures can be used for different antecedent variables, and reasoning with sparse rule bases is supported. The application of FAIR to the modeling of a nonlinear dynamic system based on a combination of knowledge-driven and data-driven approaches is presented as an example.     

Calculations of the water-dimer encapsulations into C84

The water-dimer formation and its encapsulation into D₂(22)-C₈₄ and D_2d(23)-C₈₄ fullerenes is evaluated. The water-dimer populations are computed using the potential-energy change from the G3 theory and anharmonic partition functions from the MP2/AUG-cc-pVQZ approach. The encapsulation energetics is treated at the M06-2X/6-31++G** level and it is found that the water-dimer storage in C₈₄ is attractive, yielding an energy gain of more than 10 kcal mol^?1. This substantial encapsulation energy together with the computed temperature increase of the water-dimer population in the saturated steam suggests that the (H₂O)₂@C₈₄ endohedrals could be produced in a high-temperature/high-pressure approach similarly to encapsulation of rare gases in fullerenes.     

Identification of the Major Sex Pheromone Component of the Click Beetle Agriotes ferrugineipennis

Synthetic sex pheromone lures are useful tools to monitor and control populations of adult click beetles (Coleoptera: Elateridae). However, sex pheromones for Agriotes click beetle species native to North America have yet to be identified. Here we report the identification and field testing of the sex pheromone of Agriotes ferrugineipennis. Headspace volatiles from female beetles were collected on Porapak Q, and aliquots of Porapak extract were analyzed by gas chromatographic-electroantennographic detection (GC-EAD) and GC-mass spectrometry. 7-Methyloctyl 7-methyloctanoate (7Me7Me) emitted by females was more abundant and elicited much stronger responses from male antennae than the aldehydes octanal and nonanal and the ketone 6,10,14-trimethyl-2-pentadecanone. In a field experiment, captures of A. ferrugineipennis males in traps baited with candidate pheromone components exceeded those of unbaited control traps, on average by nearly 1,200 times. Neither the ketone nor the aldehydes as lure constituents appeared to alter captures of males in 7Me7Me-baited traps. We conclude that 7Me7Me is the major, and possibly the only, sex attractant pheromone component of female A. ferrugineipennis.

     

Monitoring Binding of HIV‐1 Capsid Assembly Inhibitors Using 19F Ligand‐and 15N Protein‐Based NMR and X‐ray Crystallography: Early Hit Validation of a Benzodiazepine Series

The emergence of resistance to existing classes of antiretroviral drugs underlines the need to find novel human immunodeficiency virus (HIV)‐1 targets for drug discovery. The viral capsid protein (CA) represents one such potential target. Recently, a series of benzodiazepine inhibitors was identified via high‐throughput screening using an in vitro capsid assembly assay (CAA). Here, we demonstrate how a combination of NMR and X‐ray co‐crystallography allowed for the rapid characterization of the early hits from this inhibitor series. Ligand‐based ¹⁹F NMR was used to confirm inhibitor binding specificity and reversibility as well as to identify the N‐terminal domain of the capsid (CA_NTD) as its molecular target. Protein‐based NMR (¹H and ¹⁵N chemical shift perturbation analysis) identified key residues within the CA_NTD involved in inhibitor binding, while X‐ray co‐crystallography confirmed the inhibitor binding site and its binding mode. Based on these results, two conformationally restricted cyclic inhibitors were designed to further validate the possible binding modes. These studies were crucial to early hit confirmation and subsequent lead optimization.     

GM Football – Eingangspavillon des Headquarters von General Motors in Detroit

GM Football – Vestibule of the General Motor's Headquaters, Detroit. The article describes the construction, production and erection scheduling of a glazed vestibule over an elliptical, i.e. football‐shaped outline of 30 m length and 10 m width. The point supported glazing of the 14 m high façade is supported by a spatial cable net structure, which stretches in vertical direction from the spatial fish‐belly girder to the ground and in horizontal direction between the cable sagged columns at the tapered corners of the building. While workshop planning of this biaxial curved cable net structure, beside the aesthetic requirements, it was also necessary to consider the mountability and adjustablity, as well as the development of a conclusive assembly concept and the pertinent computations.     

In vitro Inhibition of Fungal Activity by Macrophage‐Mediated Sequestration and Release of Encapsulated Amphotericin B Nanosupension in Red Blood Cells

The efficacy of antifungal treatment has been diminished by the biodistribution limitations of amphotericin B (AmB) due to its pharmacological profile, as well as the severe side effects it causes. A cellular drug‐delivery system, which incorporates human erythrocytes (RBCs) loaded with an AmB nanosuspension (AmB‐NS), is developed in order to improve antifungal treatment. AmB‐NS encapsulation in RBCs is achieved by using hypotonic hemolysis, leading to intracellular AmB amounts of 3.81 ± 0.47 pg RBC^?1 and an entrapment efficacy of 15–18%. Upon phagocytosis of AmB‐NS–RBCs, leukocytes show a slow AmB release over ten days, and no alteration in cell viability. This results in an immediate, permanent inhibition of intra‐ and extracellular fungal activity. AmB‐NS–RBC‐leukocyte‐mediated delivery of AmB is efficient in amounts 1000 times lower than the toxic dose. This drug‐delivery method is effective for the transport of water‐insoluble substances, such as AmB, and this warrants consideration for further testing.     

Estimates of the interannual variations of N2O emissions from agricultural soils in Canada

The DNDC model was used to estimate direct N₂O emissions from agricultural soils in Canada from 1970 to 1999. Simulations were carried out for three soil textures in seven soil groups, with two to four crop rotations within each soil group. Over the 30-year period, the average annual N₂O emission from agricultural soils in Canada was found to be 39.9 Gg N₂O–N, with a range from 20.0 to 77.0 Gg N₂O–N, and a general trend towards increasing N₂O emissions over time. The larger emissions are attributed to an increase in N-fertilizer application and perhaps to a trend in higher daily minimum temperatures. Annual estimates of N₂O emissions were variable, depending on timing of rainfall events and timing and duration of spring thaw events. We estimate, using DNDC, that emissions of N₂O in eastern Canada (Atlantic Provinces, Quebec, Ontario) were approximately 36% of the total emissions in Canada, though the area cropped represents 19% of the total. Over the 30-year period, the eastern Gleysolic soils had the largest average annual emissions of 2.47 kg N₂O–N ha^–1 y^–1 and soils of the dryer western Brown Chernozem had the smallest average emission of 0.54 kg N₂O–N ha^–1 y^–1. On average, for the seven soil groups, N₂O emissions during spring thaw were approximately 30% of total annual emissions. The average N₂O emissions estimates from 1990 to 1999 compared well with estimates for 1996 using the IPCC methodology, but unlike the IPCC methodology our modeling approach provides annual variations in N₂O emissions based on climatic differences.     

Toward Improved Coefficients for Predicting Direct N<Subscript>2</Subscript>O Emissions from Soil in Canadian Agroecosystems

Agricultural soils emit nitrous oxide (N₂O), a potent greenhouse gas. Predicting and mitigating N₂O emissions is not easy. To derive national coefficients for N₂O emissions from soil, we collated over 400 treatment evaluations (measurements) of N₂O fluxes from farming systems in various ecoregions across Canada. A simple linear coefficient for fertilizer-induced emission of N₂O in non-manured soils (1.18% of N applied) was comparable to that used by the Intergovernmental Panel on Climate Change (IPCC) (1.25% of N applied). Emissions were correlated to soil and crop management practices (manure addition, N fertilizer addition and inclusion of legumes in the rotation) as well as to annual precipitation. The effect of tillage on emissions was inconsistent, varying among experiments and even within experiments from year to year. In humid regions (e.g., Eastern Canada) no-tillage tended to enhance N₂O emissions; in arid regions (e.g., Western Prairies) no-tillage sometimes reduced emissions. The variability of N₂O fluxes shows that we cannot yet always distinguish between potential mitigation practices with small (e.g., <10%) differences in emission. Our analysis also emphasizes the need for developing consistent experimental approaches (e.g., ‘control’ treatments) and methodologies (i.e. measurement period lengths) for estimating N₂O emissions.     

Editorial

Computing and Visualization in Science -