214 research outputs found

    Estudio del impacto producido con la implantación de la acreditación y la garantía de la calidad en los títulos de grado

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    Programa de doctorado en Didáctica y Dirección Educativa de Instituciones de Enseñanza SuperiorLos constantes cambios que en la última década viene produciéndose en materia de garantia de calidad en las instituciones de educación superior nos han llevado a situar el objeto de estudio de esta investigación en los efectos de la implantación de la acreditación y del sistema de garantía de calidad en las titulaciones de grado en el marco del EEES. Por qué lo estudiamos. Esta investigación pretende responder a las siguientes necesidades. En primer lugar clarificar el nuevo escenario del EEES relacionado con el aseguramiento de la calidad. Asimismo, conocer los conceptos de los modelos de calidad y su incidencia en el control y mejora de las titulaciones. En segundo lugar comprender la realidad de la implantación del modelo de acreditación y de garantía de calidad en las instituciones de educación superior. En tercer lugar explorar que factores de la acreditación y la garantía de calidad se perciben como efectos y mejoras en las titulaciones de grado adaptadas al EEES. La finalidad del estudio es aportar a la reflexión elementos de la realidad, sobre los efectos de la implantación de la acreditación y del sistema de garantía de calidad a las titulaciones de grado adaptadas al EEES. Cómo lo estudiamos y desde dónde nos situamos. Las decisiones metodológicas buscan por una parte la indagación de los fundamentos y de las distintas aportaciones teórico-prácticas y por otra el análisis de la realidad. Estos dos aspectos son tratados desde una visión del paradigma interpretativo-fenomenológico y con una aproximación exploratoria-descriptiva, en un contexto de estudio como son las titulaciones de grado adaptadas al EEES. En cuanto al diseño metodológico adquiere la forma de estudio de caso,utilizando en el estudio de campo los instrumentos del cuestionario y la entrevista para la recogida de datos y con el análisis posterior a nivel estadístico y de contenido. Por último en cuanto a las conclusiones recogen en primer lugar las referidas a los capítulos dos y tres que forman el marco teórico de esta investigación. En segundo lugar las conclusiones en referencia a los objetivos e hipótesis de esta investigación. En tercer lugar a las conclusiones finales, para finalizar con las dificultades, limitaciones y sugerencias de futuras investigaciones.Universidad Pablo de Olavide. Departamento de Ciencias Sociale

    A combined crystallographic and theoretical study of weak intermolecular interactions in crystalline squaric acid esters and amides

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    We report the synthesis and X-ray solid state structures of five squaric acid derivatives, i.e. a zwitterionic compound, namely 3-hydroxy-4-(2-pyridin-2-yl-ethylamino)cyclobut-3-ene-1,2-dione (1), a squaramide monoester, 3-ethoxy-4-(2-pyridin-2-yl-ethylamino)cyclobut-3-ene-1,2-dione (2), two differently solvated (EtOH and DMSO/water) disquaramides 3,4-bisIJ(4-hydroxyphenethyl)amino)cyclobut-3-ene-1,2-dione (3 and 4, respectively), and a mixed hydrogen squarate and disquarate 2-(2-aminoethyl)pyridinium salt (5). All compounds form interesting supramolecular assemblies in the solid state that have been analyzed using high level DFT calculations and Bader's theory of 'atoms-in-molecules'. An intricate combination of ionpair and H-bonding interactions along with π-π stacking and anion-π contacts of the cyclobutenedione rings is crucial for the formation of the supramolecular assemblies in the solid state

    H-Bonded anion-anion complex trapped in a squaramido-based receptor

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    Herein we report the experimental observation (X-ray characterization) of an anion-anion complex (anion = hydrogen fumarate) stabilized by H-bonds that is trapped in a secondary squaramide receptor. High level ab initio calculations indicate that the anion- anion complex is thermodynamically unstable but kinetically stable with respect to the isolated anion

    Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides

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    We report the X-ray solid state structures of two tertiary squaramides, i.e. 3-(diethylamino)-4-ethoxy-cyclobutene-1,2-dione (1) and bis-3,4-(diethylamino)-cyclobutene-1,2-dione (2). Compound 1 forms electrostatically compressed dimers in the solid state. Moreover, compound 2 exhibits a remarkable solid state architecture resembling a lipid bilayer. This supramolecular assembly has been analyzed using high level DFT calculations and Bader's theory of "atoms-in-molecules". The antiparallel CO⋯CO interactions of the cyclobutenedione rings and hydrophobic interactions involving the ethyl chains are crucial for the formation of the bilayer assembly in the solid stat

    Hydrogen bonding versus π-interactions: their key competition in sildenafil solvates

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    Herein we report the X-ray characterization of four sildenafil solvates where the conformation of the pyrazolo[3,4-d]pyrimidine and phenyl rings depends on the solvent. It conditions the formation of an apparently innocent intramolecular H-bond that has a remarkable influence on the solid state architecture of the sildenafil solvates. DFT calculations indicate that a delicate balance between the energies of H-bonding and π-π (or lp-π) interactions are crucial

    Molecular and crystalline architectures based on HgI : from metallamacrocycles to coordination polymers

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    We report the synthesis and X-ray characterization of three metallamacrocycles and one coordination polymer obtained by using coordination driven self-assembly of the HgI2 salt with four different ligands

    Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring

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    We report the X-ray solid state structures of four new squaric acid derivatives, i.e. three polymorphs of 3,4-bisIJ(2-(dimethylamino)ethyl)amino)cyclobut-3-ene-1,2-dione (1a-c) and a co-crystal of compound 1 and resorcinol (2). All structures form interesting supramolecular assemblies in the solid state which have been analyzed using high level DFT calculations and molecular electrostatic potential (MEP) surface calculations. A combination of H-bonding and π-π stacking interactions of the cyclobutenedione rings are crucial for the formation of the supramolecular assemblies in the solid state. Moreover, unusual antiparallel CO⋯CO interactions observed in the X-ray structure of one of the polymorphs of 1 and the lp-π interactions between one oxygen atom of resorcinol and the squaramide ring in 2 have been characterized using Bader's theory of 'atoms-in-molecules' (AIM)

    On the importance of Pb⋯X (X = O, N, S, Br) tetrel bonding interactions in a series of tetra- and hexa-coordinated Pb(ii) compounds

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    Five new Pb(ii) complexes of hydrazone-based and Schiff-based ligands and three different anionic co-ligands (azide, thiocyanate and bromide) have been synthesized and characterized by structural, analytical and spectroscopic methods. This variety of ligands can coordinate to the Pb(ii) metal center in a tridentate or tetradentate fashion via a different combination of any of nitrogen, oxygen and sulphur donor atoms. Moreover, the organic ligands can be in mono-deprotonated or neutral forms. By using single-crystal X-ray crystallography, we show that the synthesized complexes aggregate into larger supramolecular entities due to the formation of noncovalent tetrel bonding interactions. The Pb(ii) center is hemidirectionally coordinated even in those complexes where the coordination number is six. Consequently, this is sterically ideal for establishing tetrel bonding interactions with electron-rich nitrogen, bromide or sulphur atoms. These contacts are significantly larger than the sums of the covalent radii. Hence, they can be described as non-covalent tetrel bonding interactions. They interconnect the covalently bonded units into supramolecular assemblies (dimers or tetramers). The contribution of contacts involving the Pb atom has been studied using Hirshfeld surface analysis and fingerprint plots. We have analysed the supramolecular assemblies observed in the solid state by means of DFT calculations and characterized them using Bader's theory of atoms-in-moleculesS. K. Seth is grateful to the SERB-DST (Govt. of India) for the Overseas Postdoctoral Fellowship (SB/OS/PDF-524/2015-16). G. M. is grateful to the University of Maragheh for the financial support of this research (Agreement number 95.1726). A. B. and A. F. thank the MINECO/AEI of Spain (projects CTQ2014-57393-C2-1-P and CTQ2017-85821-R). A. B. and A. F. thank the CTI (UIB) for computational facilitie

    Phosphotyrosine proteins in platelets from patients with storage pool disease: direct relation between granule defects and defective signal transduction

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    Background and objectives: storage pool diseases (SPD) are heterogeneous disorders associated with an abnormal presence of intraplatelet granules, which cause mild to moderate bleeding diathesis. We investigated signaling through tyrosine phosphorylation of proteins occurring in platelets with total or partial absence of dense- and alpha-granules in response to activation. Design and methods: we included a patient with severe delta-SPD, a patient with severe alpha-SPD or gray platelet syndrome, and six patients with partial deficiency of dense or a-granules. SPD was confirmed by electron microscopy evaluation of platelet ultrastructure. Platelet function was evaluated by bleeding time determination and conventional aggregometry. Platelet suspensions were activated with collagen and thrombin to analyze changes in tyrosine phosphorylation of proteins by electrophoresis and Western-blotting. Results: bleeding times were prolonged in all the patients included. Aggregation responses were slightly decreased in delta-SPD and normal in the rest of patients. Tyrosine phosphorylation in platelets from patients with partial forms of SPD was equivalent to that observed in control platelets, absent in response to collagen and thrombin activation in delta-SPD, and deficient only to thrombin activation in alpha-SPD. Interpretation and conclusions: tyrosine phosphorylation of proteins in activated platelets is highly dependent on the substances contained in the dense-granules and moderately dependent on those contained in the alpha-granules. A minimum amount of intraplatelet granules ensures signaling through tyrosine phosphorylation of proteins
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