Manifestaciones de la religiosidad mediterránea en la Protohistoria canaria (circa s. X a.n.e. al s. XV d.n.e.)

En este trabajo reflexionamos acerca de algunos elementos de culto pertenecientes a la etapa protohistórica canaria que tuvieron su origen en el Mediterráneo y que tras alcanzar el Archipiélago Canario se vieron sometidos a transformaciones reflejo de un claro fenómeno de adaptación cultural. Para ello habremos de introducirnos en algunas de las creencias y de las facetas del comportamiento religioso de los canarios protohistóricos, en particular por lo que a sus relaciones de origen se refiere, terreno en el que es posible vislumbrar puntos de partida y adaptaciones concretas surgidas tras su establecimiento en las islas.In this work, we present some ideas about cultural elements of the Canary Islands Protohistory, that were originated in the ancient Mediterranean which, after reaching the islands, were subjet of transformation, as a result of a cultural adaptation phenomenon. We visit some of the protohistoric canarian believings and religious behaviours, particularly concerned by their origins. From them it is possible to acquire their precedence and to study the particular adaptations produced after the settlement within the islands

DFT Study of the Cyclization of 1,2-divinylbenzene snd Derivatives

The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryElectrocyclization reactions of 1,2-divinylbenzene and several related molecules were studied by performing density functional theory (DFT) calculations together with the 6-31+G* basis set. Reactants, products, and transition states for each reaction were localized and the IRC connecting reactants and products was also obtained. Magnetic properties were evaluated along the reaction path to elucidate the characteristics of the reactions studied with respect to their aromaticity and pericyclic character. Though reactions B and C seem to be borderline cases between pericyclic andpseudopericyclic behaviour, the analysis of different magnetic properties allow us to conclude that all reactions studied are pericycli

Theoretical study of the pericyclic/pseudopericyclic character of the automerization of Perfluorotetramethyl (Dewar thiophene) exo-S-oxide

The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryA theoretical study of the "walk" rearrangement in bicyclo[2.1.0]pentene and perfluorotetramethyl (Dewar thiophene) exo-S-oxide has been carried out. In order to analyze the pericyclic character of these two reactions, some magnetic properties (NICS and ACID) have been calculated in the reactant/product and in the transition state of each reaction. Despite the differences between them, the results for both reactions show an enhancement of aromaticity in the transition state, which is consistent with a pericyclic behavior. NBO calculations show that the small activation energy for the second reaction can be interpreted in terms of a strongly stabilization of the transition state by the exo-oxide substituent. No evidence of any pseudopericyclic character has been found. Although the walk rearrangement in erfluorotetramethyl (Dewar thiophene) exo-S-oxide has special characteristics, the process of [1,3]-sigmatropic shift remains with a fundamental role in its mechanism. So, the mechanism proposed by Lemal et al, should be revise

The influence of BF3 on the reaction path of the [4 + 2] cycloaddition of vinylketene with formaldimine. A computational study

The 10th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryA comprehensive B3LYP/6-31+G* study of the influence of BF3 on the [4 + 2] cycloaddition of vinylketene with formaldimine was conducted. For this purpose, the complete pathway was determined and changes in different magnetic properties (magnetic susceptibility, χ, magnetic susceptibility anisotropy, χanis, and the nucleus-independent chemical shifts, NICS) were monitored along the reaction profile with a view to estimating the aromatization associated to the process. We have also applied the ACID (anisotropy of the current-induced density) method with the same intention

A theoretical study of the aromatic character of polyphosphaphospholes. Is the pyramidality the only factor to take into consideration?

The 13th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryA comprehensive MP2/6-311+G(d,p) and B3LYP/6-311+G(d,p) study of the aromatic character of phospholes, Pn(CH)4-nPH with n = 0-4 was conducted. For this purpose, the structures for these compounds were optimized at both theoretical levels and different magnetic properties (magnetic susceptibility, χ, magnetic susceptibility anisotropy, χanis, and the nucleus-independent chemical shifts, NICS) were evaluated. For comparison, these magnetic properties were also calculated in the optimized structures with planarity constraints. We have also applied the ACID (anisotropy of the current-induced density) method in this analysis. The main conclusions are the aromatic character of these compounds, the relationship between aromaticity and planarity and the importance of other factors in this aromaticit

A computational study of the mechanism of the unimolecular elimination of α, β - unsaturated aldehydes in the gas phase

The 13th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistr

Conocimiento especializado de futuros profesores de matemáticas de secundaria. Un estudio en torno a definiciones de cuadriláteros

En este trabajo abordamos el conocimiento especializado de futuros profesores de matemáticas de secundaria en torno a la conceptualización de los cuadriláteros, empleando el modelo Mathematics Teacher’s Specialised Knowledge-MTSK. Nos enfocamos en comprender cómo es su conocimiento cuando definen los cuadriláteros en un cuestionario de respuesta abierta, planifican una sesión de clase y la ejecutan. Presentamos resultados de un estudio instrumental de casos, perteneciente a una investigación interpretativa más amplia, con futuros profesores de una universidad privada de Perú. Estos proponen definiciones descriptivas y particionales, sin cuestionar la necesidad y suficiencia de las propiedades que incluyen

Eosin Y-functionalized upconverting nanoparticles: nanophotosensitizers and deep tissue bioimaging agents for simultaneous therapeutic and diagnostic applications

Functionalized upconverting nanoparticles (UCNPs) are promising theragnostic nanomaterials for simultaneous therapeutic and diagnostic purposes. We present two types of non-toxic eosin Y (EY) nanoconjugates derived from UCNPs as novel nanophotosensitizers (nano-PS) and deep-tissue bioimaging agents employing light at 800 nm. This excitation wavelength ensures minimum cell damage, since the absorption of water is negligible, and increases tissue penetration, enhancing the specificity of the photodynamic treatment (PDT). These UCNPs are uniquely qualified to fulfil three important roles: as nanocarriers, as energy-transfer materials, and as contrast agents. First, the UCNPs enable the transport of EY across the cell membrane of living HeLa cells that would not be possible otherwise. This cellular internalization facilitates the use of such EY-functionalized UCNPs as nano-PS and allows the generation of reactive oxygen species (ROS) under 800 nm light inside the cell. This becomes possible due to the upconversion and energy transfer processes within the UCNPs, circumventing the excitation of EY by green light, which is incompatible with deep tissue applications. Moreover, the functionalized UCNPs present deep tissue NIR-II fluorescence under 808 nm excitation, thus demonstrating their potential as bioimaging agents in the NIR-II biological windo

Study of the Interaction between Aniline and CH3CN, CH3Cl and CH3F

The 12th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryA computational study of dimers formed by aniline and one CH3X molecule, X being CN, Cl or F, was carried out to elucidate the main characteristics of the interacting systems. Two different structures were found for each of the dimers, depending on the relative location of the CH3X molecule with respect to the amino hydrogen atoms. The most stable minimum for both acetonitrile and methyl chloride corresponds to structures where the CH3X molecule is located with its methyl group over the aromatic ring establishing a C-H···p contact and simultaneously interacting with the amino group with a N-H···X contact. In methyl fluoride complex, however, no significant interaction takes place with the aromatic ring in the most stable structure. In this case, the interaction takes places with the amino group forming a five member cycle with N-H···F and C-H···N contacts. As regards interaction energies, the stronger complex is formed with acetonitrile, with an interaction energy amounting to -6.4 kcal/mol. Methyl chloride and methyl fluoride form complexes with interaction energies amounting to -4.1 and -4.2 kcal/mol, respectively, though the structural arrangements are quite different for both structures. The results of the SAPT(DFT) analysis indicate that in most complexes the leading contribution to the stabilization of the complex is dispersion, though the electrostatic contribution is almost as important. However, in methyl fluoride most stable complex the larger attractive term is of electrostatic natur

Characteristics of the interaction in azulene···(H2X)n=1,2(X=O,S) clusters

The 11th International Electronic Conference on Synthetic Organic Chemistry session Computational ChemistryA computational study of clusters containing azulene and up to two molecules of water or hydrogen sulfide was carried out to elucidate the main characteristics of these X-H···π interacting systems. For clusters with one H2X molecule only one structure was found interacting with the aromatic cloud of azulene, with an interaction energy of -3.1 kcal/mol both for H2O and H2S as calculated at the CCSD(T)/AVDZ level. On the other hand, MP2 overestimates the interaction in hydrogen sulfide clusters, whereas the MPWB1K functional produces values in very good agreement with CCSD(T). A variety of structures were located for clusters with two H2X molecules. The most stable ones are those which simultaneously present hydrogen bond between H2X molecules and X-H···π contacts. Also, only this kind of structure presents relevant three body stabilizing contributions. On the other hand, the interaction of azulene with (H2X)2 dimer is stronger precisely for structures which do not present X-H···X hydrogen bond. This suggest that for larger systems, structures with the molecules distributed over the aromatic surface but without interacting among them, can be competitive with other, hydrogen bonded clusters, especially in H2S containing system