1,535 research outputs found

    Data collection and advanced statistical analysis in phytotoxic activity of aerial parts exudates of Salvia spp

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    In order to define the phytotoxic potential of Salvia species a database was developed for fast and efficient data collection in screening studies of the inhibitory activity of Salvia exudates on the germination of Papaver rhoeas L. and Avena sativa L.. The structure of the database is associated with the use of algorithms for calculating the usual germination indices reported in the literature, plus the newly defined indices (Weighted Average Damage, Differential Weighted Average Damage, Germination Weighted Average Velocity) and other variables usually recorded in experiments of phytotoxicity (LC50, LC90). Furthermore, other algorithms were designed to calculate the one-way ANOVA followed by Duncan's multiple range test to highlight automatically significant differences between the species. The database model was designed in order to be suitable also for the development of further analysis based on the artificial neural network approach, using Self-Organising Maps (SOM)

    Micromechanical model for protein materials: From macromolecules to macroscopic fibers

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    We propose a model for the mechanical behavior of protein materials. Based on a limited number of experimental macromolecular parameters (persistence and contour lengths, rate of unfolding dissipation) we obtain the macroscopic behavior of keratin fibers (human, cow, and rabbit hair), taking into account the damage and residual stretches effects which are fundamental in many functions of life. We support our theoretical results by showing that our model is robust and able to reproduce with high quantitive accuracy the cyclic experimental behavior of different keratinous protein materials we tested. We also show the capability of describing, even if with lower precision, the dissipation and permanent strain effects in spider silks

    Thermodynamic properties and structural stability of thorium dioxide

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    Using density functional theory (DFT) calculations, we have systematically investigated the thermodynamic properties and structural stabilities of thorium dioxide (ThO2_2). Based on the calculated phonon dispersion curves, we calculate the thermal expansion coefficient, bulk modulus, and heat capacities at different temperatures for ThO2_2 under the quasi-harmonic approximation. All the results are in good agreement with corresponding experiments proving the validity of our methods. Our theoretical studies can help people more clearly understand the thermodynamic behaviors of ThO2_2 at different temperatures. In addition, we have also studied possible defect formations and diffusion behaviors of helium in ThO2_2, to discuss its structural stability. It is found that in intrinsic ThO2_2 without any Fermi energy shifts, the interstitial Thi4+_i^{4+} defect other than oxygen or thorium vacancies, interstitial oxygen, and any kinds of Frenkel pairs, is most probable to form with an energy release of 1.74 eV. However, after upshifting the Fermi energy, the formation of the other defects also becomes possible. For helium diffusion, we find that only through the thorium vacancy can it happen with the small energy barrier of 0.52 eV. Otherwise, helium atoms can hardly incorporate or diffuse in ThO2_2. Our results indicate that people should prevent upshifts of the Fermi energy of ThO2_2 to avoid the formation of thorium vacancies and so as to prevent helium caused damages.Comment: 11 pages, 11 figure
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