Search results for "Density"
showing 10 items of 4402 documents
The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(001) surfaces: Ab initio DFT/HF hybrid calculations
2005
In our first-principles study, the electronic properties of the (001) surfaces of three key perovskite crystals, namely SrTiO"3 (STO), BaTiO"3 (BTO), and PbTiO"3 (PTO), have been calculated by means of the density functional theory (DFT) using the exchange-correlation functional containing ''hybrid'' of the non-local Hartree-Fock (HF) exchange, DFT exchange, and Generalized Gradient Approximation (GGA) correlation functionals, commonly known as B3PW. Such a technique allows us to get the optical bulk band gap very close to experiment unlike previous calculations of perovskites. Special attention is paid to careful calculations of the surface rumpling and change of the distances between thre…
α-d-Glucopyranose Adsorption on a Pd30 Cluster Supported on Boron Nitride Nanotube
2016
Boron nitride nanotube (BNNT) as an innovative support for carbohydrate transformation processes was evaluated, using density functional theory. The α-d-glucopyranose adsorption on a Pd30 cluster, supported on BNNT, was used to check both the local activity of topologically different metallic sites and the effects of the proximity of the BNNT surface to the same metallic sites. Detailed geometrical and electronic analyses performed on Pd30/BNNT and α-d-glucopyranose/Pd30/BNNT systems were discussed. It was observed that the deposition of the Pd30 cluster onto the BNNT support gives rise to an electronic rearrangement, determining a charge transfer from the support to the adsorbed metal clus…
The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods
2017
The inhibition of water and glycerol permeation via human aquaglyceroporin-3 (AQP3) by gold(iii) complexes has been studied by stopped-flow spectroscopy and, for the first time, its mechanism has been described using molecular dynamics (MD), combined with density functional theory (DFT) and electrochemical studies. The obtained MD results showed that the most effective gold-based inhibitor, anchored to Cys40 in AQP3, is able to induce shrinkage of pores preventing glycerol and water permeation. Moreover, the good correlation between the affinity of the Au(iii) complex to Cys binding and AQP3 inhibition effects was highlighted, while no influence of the different oxidative character of the c…
EMI Filter Re-Design in a SMPS with Inductor in Saturation
2021
This paper analyzes the design issues of the input EMI (Electro-Magnetic Interference) filter's in a switching mode power supply where the power inductor is operated in saturation. Starting with a SMPS equipped with linear inductor, the input filter is firstly designed to comply with Standards. Then, a new inductor with a smaller core size is employed in the same SMPS to exploit saturation. The EMI filter is re-designed, taking into account the increase of EMI introduced by the non-linear operation of the inductor. Finally, the reduction of the inductor's size and cost is compared with the increased size and cost of the EMI filter.
Thirty years of synaptosome research.
1993
Detached synapses (synaptosomes), first isolated by the author in 1958 and identified as such in 1960, are sealed presynaptic nerve terminals often with a portion of the target cell--sometimes amounting to a complete dendritic spine--adhering to their external surface. They can be prepared in high yield from brain tissue and also in decreasing yield from spinal cord, retina, sympathetic ganglia, myenteric plexus and electric organs. They are sealed structures which, under metabolizing conditions, respire, take up oxygen and glucose, extrude Na+, accumulate K+, maintain a normal membrane potential and, on depolarization, release transmitter in a Ca(2+)-dependent manner. They thus provide an …
Axial superresolution by synthetic aperture generation
2008
The use of tilted illumination onto the input object in combination with time multiplexing is a useful technique to overcome the Abbe diffraction limit in imaging systems. It is based on the generation of an expanded synthetic aperture that improves the cutoff frequency (and thus the resolution limit) of the imaging system. In this paper we present an experimental validation of the fact that the generation of a synthetic aperture improves not only the lateral resolution but also the axial one. Thus, it is possible to achieve higher optical sectioning of three-dimensional (3D) objects than that defined by the theoretical resolution limit imposed by diffraction. Experimental results are provi…
On the classification of visual patterns: systems analysis using detection experiments.
1977
Behavioral experiments are indispensable for the analysis of biological systems for cognition and recognition. When these are carried out as detection experiments three types of description can be used for the problem of visual pattern recognition which allow conclusions to be drawn on the operating function of the system. Provided that the signals to be recognized have additive noise superimposed on them, system description is possible: 1. on the basis on the probabilities of recognition and of mix-up,--2. through the analysis of the transformation of distribution densities of the noise,--3. by means of the measurable distances of the patterns from each other in feature space.-The analysis…
Soil Erosion Induced by the Introduction of New Pasture Species in a Faxinal Farm of Southern Brazil
2018
The faxinal management system is an endangered agro-silvopastoral system which forms part of the local traditional management in the Paraná federal state (Brazil). Significant changes in land management since the 1970s caused farmers to look for alternatives to increase the productivity of their farms. The introduction of new pasture species is causing land degradation problems, of which soil erosion is the most important challenge. Therefore, in this study, we assessed the environmental consequences of introducing exotic pasture species, such as Brachiaria decumbens. To achieve this goal, ten erosion plots were installed with exotic and native pastures (Paspalum notatum Flügg&e…
Soil Physical Quality of Citrus Orchards Under Tillage, Herbicide, and Organic Managements
2018
Abstract Soil capacity to support life and to produce economic goods and services is strongly linked to the maintenance of good soil physical quality (SPQ). In this study, the SPQ of citrus orchards was assessed under three different soil managements, namely no-tillage using herbicides, tillage under chemical farming, and no-tillage under organic farming. Commonly used indicators, such as soil bulk density, organic carbon content, and structural stability index, were considered in conjunction with capacitive indicators estimated by the Beerkan estimation of soil transfer parameter (BEST) method. The measurements taken at the L'Alcoleja Experimental Station in Spain yielded optimal values fo…
Effect of donor substituents on thermally activated delayed fluorescence of diphenylsulfone derivatives
2019
This research was funded by the European Social Fund according to the activity ‘Improvement of researchers’ qualification by implementing world-class R&D projects’ of Measure No. 09.3.3-LMT-K-712. DG acknowledges to the ERDF PostDoc project No. 1.1.1.2/VIAA/1/16/177;