Search results for " naturale"
showing 10 items of 438 documents
La Cultura, el mercado y la política
1998
La corrupción institucionalizada
1998
DNA damage photo-induced by chloroharmine isomers: hydrolysis versus oxidation of nucleobases
2018
Photodynamic therapy (PDT) is an emerging clinical treatment currently being used against a wide range of both cancerous and noncancerous diseases. The search for new active photosensitizers as well as the development of novel selective delivery systems are the major challenges faced in the application of PDT. We investigated herein three chloroharmine derivatives (6-, 8- and 6,8-dichloroharmines) with quite promising intrinsic photochemical tunable properties and their ability to photoinduce DNA damage in order to elucidate the underlying photochemical mechanisms. Data revealed that the three compounds are quite efficient photosensitizers. The overall extent of photo-oxidative DNA damage i…
Adsorption dynamics of molecular nitrogen at an Fe(111) surface.
2017
We present an extensive theoretical study of N adsorption mechanisms on an Fe(111) surface. We combine the static analysis of a six-dimensional potential energy surface (6D-PES), based on ab initio density functional theory (DFT) calculations for the system, with quasi-classical trajectory (QCT) calculations to simulate the adsorption dynamics. There are four molecular adsorption states, usually called γ, δ, α, and ε, arising from our DFT calculations. We find that N adsorption in the γ-state is non-activated, while the threshold energy is associated with the entrance channel for the other three adsorption states. Our QCT calculations confirm that there are activated and nonactivated paths …
Development of a general model to estimate the instantaneous, daily, and daytime net radiation with satellite data on clear-sky days
2015
Net radiation is a key variable in computing evapotranspiration and is a driving force in many other physical and biological processes. Remote sensing techniques provide an unparalleled spatial and temporal coverage of land-surface attributes, and thus several studies have attempted to estimate net radiation by combining remote sensing observations with surface and atmospheric data. However, remote sensing provides instantaneous data, when many applications and models need information at other temporal scales. In this work, a new general methodology is proposed to estimate daily and daytime net radiation and to retrieve the diurnal cycle of net radiation. Four images were acquired on differ…
Synthesis and characterization of a Cu(II) complex of 2-benzylmercapto-5- methyl-1,3,4-thiadiazole (C10H10N2S 2)
2008
A Cu(II) complex of 2-benzylmercapto-5-methyl-1,3,4-thiadiazole was synthesized and characterized. The crystal structure of the copper complex and the free ligand were determined by single-crystal X-ray diffraction at room temperature: {[Cu(C10H10N2S2) 2(Cl)2], P1 triclinic, a = 8.1450(2) Å, b = 8.1690(2) Å, c = 10.8180(3) Å, α = 97.4040(12)°, β = 101.6270(11)°, γ = 116.1431(14)°; C10H10N2S2 ligand, Pbca orthorhombic, a = 8.7938(7) Å, b = 9.6491(7) Å, c = 25.3552(18) Å}. The metal complex framework consists of discrete units that provide crystalline stability through a network of van der Waals contacts. The Cu(II) is coordinated by two chloride ions and two 2-benzylmercapto-5-methyl-1,3,4- …
El delito por matar animales no estando su caza expresamente autorizada
2006
El artículo analiza los delitos tipificados en el Código Penal Español en relación con la caza de aquellos animales que por resolución o normativa administrativa tienen prohibida la caza. Y principalmente la integración del derecho penal por el derecho administrativo. The article analyzes the offenses established in the Spanish Penal Code in relation to the hunting of those animals that by resolution or administrative regulations are prohibited from hunting. And mainly the integration of criminal law by administrative law.
Understanding the participation of 3-nitropyridine in polar Diels–Alder reactions. A DFT study
2015
The reactivity of 3-nitropyridine acting as an electrophilic dienophile in polar Diels-Alder (P-DA) reactions toward three different dienes of increased nucleophilicity has been theoretically studied using DFT methods at the MPWB1K/6-31G(d) level. It has been observed that this aromatic heterocyclic system suffers cycloaddition reactions yielding isoquinoline derivatives. The present DFT study establishes that while the P-DA reactions with isoprene and 1-methoxy-1,3-butadiene take place through a two-stage one-step mechanism, the use of the strong nucleophilic Danishefsky's diene changes the mechanism to a two-step one with formation of a zwitterionic intermediate. These P-DA reactions are …
Diffraction by fractal metallic supergratings.
2007
The reflectance of corrugated surfaces with a fractal distribution of grooves is investigated. Triadic and polyadic Cantor fractal distributions are considered, and the reflected intensity is compared with that of the corresponding periodic structure. The self-similarity property of the response is analyzed when varying the depth of the grooves and the lacunarity parameter. The results confirm that the response is self-similar for the whole range of depths considered, and this property is also maintained for all values of the lacunarity parameter. © 2007 Optical Society of America. Fil: Skigin, Diana Carina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación…
Pressure-Induced Hexagonal to Monoclinic Phase Transition of Partially Hydrated CePO4
2019
We present a study of the pressure dependence of the structure of partially hydrated hexagonal CePO 4 up to 21 GPa using synchrotron powder X-ray diffraction. At a pressure of 10 GPa, a second-order structural phase transition is observed, associated with a novel polymorph. The previously unknown high-pressure phase has a monoclinic structure with a similar atomic arrangement as the low-pressure phase, but with reduced symmetry, belonging to space group C2. Group-subgroup relations hold for the space symmetry groups of both structures. There is no detectable volume discontinuity at the phase transition. Here we provide structural information on the new phase and determine the axial compress…