Search results for "Processe"
showing 10 items of 3955 documents
Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2
2016
The present study provides new insights into the topography of the potential energy hypersurfaces (PEHs) of the thymine nucleobase in order to rationalize its main ultrafast photochemical decay paths by employing two methodologies based on the complete active space self-consistent field (CASSCF) and the complete active space second-order perturbation theory (CASPT2) methods: (i) CASSCF optimized structures and energies corrected with the CASPT2 method at the CASSCF geometries and (ii) CASPT2 optimized geometries and energies. A direct comparison between these strategies is drawn, yielding qualitatively similar results within a static framework. A number of analyses are performed to assess t…
Substituent effect on the redox potential of substituted (aryl)(2-nitrobenzo[ b ]thiophen-3-yl)amines
2001
Abstract The electronic effect of some meta- or para-substituents on the reduction of the title compounds has been investigated. The reversible reduction potential values of these compounds have been evaluated by cyclic voltammetry at a mercury electrode in 0.1 M tetraethylammoniumtetrafluoroborate, dimethylsulfoxide solutions. The substituent effect depends on both its nature and its position. The reduction potential values of the derivatives studied have been correlated with the Hammett substituent constants.
Fluctuations and elastic properties of lipid membranes in the gel Lβ′ state: a coarse-grained Monte Carlo study
2010
We study the stress distribution profiles and the height and thickness fluctuations of lipid membranes in the gel L-beta ' state by Monte Carlo simulations of a generic coarse-grained model for lipid membranes, which reproduces many known properties of dipalmitoylphosphatidyncholine (DPPC) bilayers. The results are related to the corresponding properties of fluid membranes, and to theoretical predictions for crystalline and hexatic membranes. One striking observation is that the spontaneous curvature of the monolayers changes sign from the fluid to the gel phase. In the gel-phase, the long-wavelength height fluctuations are suppressed, and the fluctuation spectrum is highly anisotropic. In …
Solution Processed Micro- and Nano-Bioarrays for Multiplexed Biosensing
2012
This Feature article reports on solution dispensing methodologies which enable the realization of multiplexed arrays at the micro- and nanoscale for relevant biosensing applications such as drug screening or cellular chips.
Preliminary evaluation of durum wheat (Triticum Turgidum Subsp Durum) during malting process:
2018
Durum (T. turgidum subsp. durum) wheat production worldwide is substantially less than that of common wheat (Triticum aestivum) mainly due to the relatively limited end-users. In order to evaluate malting and brewing suitability, sixteen old durum wheat landraces were malted at micro scale. Results show malt quality parameters in the range 78.2–85.9% for the extract, 72.9–80.9% for the fermentability, 3–5 EBC units for the colour, 0.49–0.79% dm for water-extractable arabinoxylans and 0.043–0.059% dm for the β-glucans. Regarding wort viscosity (1.53–1.92 mPa s), we found negative correlation with endo-1,4-β-D-xylanase, positive correlation with endo-β-glucanases and soluble proteins, while n…
Strategies to decrease water drainage and nitrate emission from soilless cultures of greenhouse tomato
2010
In the spring-summer season of 2005 and 2006, we explored the influence of three fertigation strategies (A–C) on the water and nitrogen use efficiency of semi-closed rockwool culture of greenhouse tomato conducted using saline water (NaCl concentration of 9.5 mol m−3). The strategies under comparison were the following: (A) crop water uptake was compensated by refilling the mixing tank with nutrient solution at full strength (with the concentrations of macronutrients equal or close to the corresponding mean uptake concentrations as determined in previous studies) and the recirculating nutrient solution was flushed out whenever its electrical conductivity (EC) surpassed 4.5 dS m−1 due to the…
Sensitivity of the Cherenkov Telescope Array to a dark matter signal from the Galactic centre
2021
Full list of authors: Acharyya, A.; Adam, R.; Adams, C.; Agudo, I.; Aguirre-Santaella, A.; Alfaro, R.; Alfaro, J.; Alispach, C.; Aloisio, R.; Alves Batista, R.; Amati, L.; Ambrosi, G.; Angüner, E. O.; Antonelli, L. A.; Aramo, C.; Araudo, A.; Armstrong, T.; Arqueros, F.; Asano, K.; Ascasíbar, Y. Ashley, M.; Balazs, C.; Ballester, O.; Baquero Larriva, A.; Barbosa Martins, V.; Barkov, M.; Barres de Almeida, U.; Barrio, J. A.; Bastieri, D.; Becerra, J.; Beck, G.; Becker Tjus, J.; Benbow, W.; Benito, M.; Berge, D.; Bernardini, E.; Bernlöhr, K.; Berti, A.; Bertucci, B.; Beshley, V.; Biasuzzi, B.; Biland, A.; Bissaldi, E.; Biteau, J.; Blanch, O.; Blazek, J.; Bocchino, F.; Boisson, C.; Bonneau Arbe…
Cross-lagged relations between task motivation and performance in arithmetic and literacy in kindergarten
2009
Abstract To examine the cross-lagged relationships between children's task motivation in mathematics and literacy, and their related performance, 139 children aged 5–6 years were examined twice during their kindergarten year. The results showed that only math-related task motivation and arithmetic performance showed cross-lagged relationship: the higher the math-related task motivation children reported in the beginning of the kindergarten year the higher the level of their arithmetic performance at the end of the kindergarten year. Moreover, the higher the level of children's arithmetic performance the more the interest in mathematics children reported later on. Literacy-related task motiv…
Modified LEAD System distractor to prevent tilting during alveolar distraction in the mandibular symphyseal region
2006
This report describes a simple modification of the LEAD System distractor that prevents tilting of the distractor rod, and consequent deviation of distraction direction, during alveolar distraction in the mandibular symphysis region.
Chlorinated and methylated dibenzothiophenes in sediment samples from a river contaminated by organochlorine wastes
2001
Eleven sediment samples from the lower Kymijoki River were analyzed for the occurrence of polychlorinated and polymethylated dibenzothiophenes (PCDT and PMeDTs). The area was heavily polluted by wastes from a pulp chlorobleachery and by leakage from a factory producing wood preservative chlorophenol formulation Ky-5. Levels in the sediments were from <5 to 400, 200 and 50 pg g-1 dw for tetra, penta and hexa-CDT, respectively. The concentrations of mono, di, tri and tetra-MeDTs were in the range of 1–5, 5–85, 5–500 and 15–2300 ng g-1 dw, respectively. PCDT contents in surface sediment (0–3 cm layers) decreased by distance downstream from the bleachery and Ky-5 factory similar to those of the…