Tuning the structure and the mechanical properties of epoxy-silica sol-gel hybrid materials

A new route for the synthesis of a monolithic porous hybrid organic-inorganic material composed of silica and an epoxy resin is reported. This ormosil material is prepared by supercritical drying of a gel obtained by a one-pot procedure and using ethanol as the only solvent. The microscopic analysis reveals that the material presents an open network of micrometric pores. The characteristics of the pore structure strongly depend on the ratio between silica and epoxy. While in most cases the structure is formed by homogeneous hybrid primary particles, a foam-like structure is observed for a specific composition, which seems related to a phase-separation effect. The material presents rubber-like behavior under compression. Moreover, the compression modulus can be continuously tuned along two orders of magnitude through the variation of the silica-epoxy ratio, allowing the preparation of a material with tailored mechanical properties.MATGAS is acknowledged for allowing the use of their supercritical drying facilities. Dr Daniel Crespo (Departament de Física Aplicada, Escola d'Enginyeria de Telecomunicació i Aeronàutica de Castelldefels, Universitat Politècnica de Catalunya) is acknowledged for his help in the DMA tests. SOPREMA (France), the Spanish Ministerio de Economía y Competitividad (Grant No.ENE-2012-36368-C02-02) and the Generalitat de Catalunya (Grant No. 2014SGR1643) are acknowledged by their financial support. support.Peer Reviewe

Topología de la densidad electrónica y el potencial electrostático en el fosfato de L-Histidina - ácido fosfórico : nuevas perspectivas del análisis topológico /

Consultable des del TDXTítol obtingut de la portada digitalitzadaEl fosfato de L-histidina ácido fosfórico (LHP) cristaliza formando una estructura monoclínica no centrosimétrica debido a la presencia de un catión quiral. La estructura de estos cristales está formada por capas de histidina y de fosfato con ácido fosfórico alternadas. Las moléculas están unidas por una compleja red de puentes de hidrógeno, algunos de ellos muy fuertes. La densidad electrónica de este material ha sido determinada experimentalmente a partir de difracción de rayos X y neutrones. Para obtener la densidad electrónica, se midió un conjunto de intensidades de rayos X que comprendía reflexiones de alto ángulo. Tanto en el experimento como en el posterior tratamiento de los datos de rayos X se tuvo especial cuidado en obtener un conjunto de datos de alta calidad, condición indispensable para poder observar la reducida contribución de la densidad de deformación a las intensidades experimentales. La densidad electrónica se obtuvo tras ajustar un modelo de pseudoátomos a las intensidades experimentales, tomando como punto de partida un modelo de átomos independientes de la densidad electrónica construído a partir de la estructura de alto orden de rayos X y la estructura de neutrones. La densidad electrónica de pseudoátomos fue comparada con el resultado de cálculos ab inito sobre las moléculas del LHP aisladas y con la geometría del cristal. En general se observa un buen acuerdo entre densidad de pseudoátomos y ab initio para las propiedades topológicas en los puntos críticos de enlace para todas las interacciones excepto los enlaces covalentes H-X (X=C,N,O), donde se producen fuertes discrepancias. La integración de la carga y el momento dipolar sobre los volúmenes atómicos, definidos a partir de las líneas de gradiente de la densidad electrónica, muestra la existencia de importantes transferencias de carga entre el fosfato y el ácido fosfórico relacionadas con los fuertes puentes de hidrógeno que unen estas moléculas. No se observan grandes cambios en el momento dipolar de las moléculas del LHP a causa del entorno cristalino, si bien se producen incrementos significativos en el momento dipolar del fosfato y el ácido fosfórico. El análisis del potencial electrostático, calculado a partir del modelo de pseudoátomos sobre conjuntos aislados de moléculas con la configuración del cristal, muestra la presencia de bandas electrófilas y nucleófilas alternadas sobre las láminas de fosfato y ácido fosfórico. Sobre estas bandas aparecen los puntos donde las moléculas de L-histidina interaccionan con estas láminas, explicando así la disposición de estas moléculas en el cristal. Para profundizar en el análisis del potencial electrostático, se desarrolló un programa capaz de calcular las líneas de campo eléctrico y de detectar los puntos críticos del potencial electróstático además de sus propiedades topológicas. Este programa fue utilizado para analizar varios modelos de pseudoátomos, entre ellos el LHP, mostrando cómo las líneas de campo eléctrico y los puntos críticos del potencial electrostático delimitan las zonas de influencia de los grupos electrófilos y nucleófilos. El análisis topológico del potencial electrostático muestra que entre dos átomos enlazados aparece un punto crítico de enlace similar al de la densidad electrónica, situándose ambos puntos críticos en posiciones diferentes. Las propiedades topológicas en este punto crítico muestran dependencias exponenciales con la distancia de enlace similares a las observadas en los puntos críticos de la densidad electrónica para los puentes de hidrógeno. Las relaciones entre propiedades topológicas de la densidad electrónica y el potencial electrostático en estos puntos críticos de enlace revela que, mientras algunas propopiedades topológicas presentan una verdadera dependencia exponencial, en el resto de propiedades esta dependencia es sólo aparente.The phosphate of L-histidinium phosphoric acid (LHP) forms monoclinic crystals with a non-centrosymmetric structure due to the presence of a quiral cation. The structure of these crystals is described by the stacking of histidinium and phosphate with phosphoric acid layers. A complex network of hydrogen bonds, some of them very strong, join the molecules. The electron density in this material has been experimentally determined from X-ray and neutron diffraction data. For obtaining the electron density, a set of X-ray intensities comprising high order reflections was measured. Along the experiment and in the subsequent data treatment of the X-ray data special care was put in obtaining a high quality dataset. This is necessary for observing the small contribution of the deformation electron density to the experimental intensities. The electron density was obtained after adjusting a pseudoatom model to the experimental intensities, taking as starting point an independent atom model of the electron density which was build from the structures from X-ray high order and neutron data. The pseudoatom electron density was compared with the results of ab initio calculations on the LHP molecules isolated and with the crystal geometry. In general, a good agreement between pseudoatom and ab inito densities is observed for the topological properties in the bond critical points for all interactions but covalent H-X (X=C, N, O) bonds, where strong discrepancies are observed. The integration of the charge and the dipolar moment over the atomic volumes, defined from the gradient lines of the electron density, shows important charge transfer between phosphate and phosphoric acid related with the strong hydrogen bonds joining these molecules. There are no large changes in the dipolar moment of the LHP molecules due to the crystal environment, but a significant increase in the phosphate and phosphoric acid dipolar moments is observed. The analysis of the electrostatic potential, which was calculated from the pseudoatom model in isolated clusters of molecules with the crystal configuration, shows the presence of electrophilic and nucleophilic bands in the phosphate and phosphoric acid layers. In these bands the points to which the molecules of L-histidinium interact with the layer are found, explaining the disposition of these molecules in the crystal. In order to increase the capability of the electrostatic potential analysis, a program was written for the calculation of the electric field, the detection of the electrostatic potential critical points and the calculation of their topological properties. This program was used for analysing a set of pseudoatom models, including the LHP. The results show the way in which the electric field lines and the electrostatic potential critical points delimit the volume where the influence of the electrophilic and nucleophilic groups extends. In the topological analysis of the electrostatic potential, a bond critical point between two bonded atoms similar to the one observed in the electron density is observed, being both bond critical points at different positions. The topological properties in this critical point show exponential dependencies with the bond distance similar to the ones observed in the electron density critical points for the hydrogen bonds. The relationship between the topological properties of the electron density and the electrostatic potential in the bond critical points reveals than, while some topological properties present a true exponential dependency, in the rest of properties this dependency is only seeming

El papel de la dirección en la evaluación y organización docente

The mayor purpose of every kind of schools' performance evaluation is to favour innovation, change and improvement. Are schools capable of undertaking changes? If so, these changes can only occur under the guidance and leadership of the school Principal, whose School Management Programme constitutes a key element in the process. It is also necessary a change in the hierarchical dependence of schools from the Educational Authorities, which implies a new framework civil service in educational grounds and the wider development of an scheduled career for teachers in the civil service.La finalidad esencial de cualquier evaluación es favorecer la innovación, el cambio y la mejora. ¿Pueden cambiar las instituciones escolares públicas? Para que este cambio se dé debe ser liderado desde la dirección de los centros, siendo un elemento clave el proyecto de dirección. Además debe transformarse la vinculación de los centros con la Administración, replanteando el modelo de la función pública docente e impulsando la carrera docente del profesorado

Archaeology of the battle of Catalonia (1939). Excavations of a section of the defensive Line L-3 in Subirats (Alt Penedès, Barcelona)

En aquest article descrivim els resultats de la intervenció arqueològica realitzada en les restes de les estructures defensives de la Guerra Civil espanyola al poble de Sant Pau d’Ordal, Subirats (Alt Penedès, Barcelona) que van estar operatives en les darreres fases del conflicte a Catalunya (gener de 1939). Tot i l’elevat nombre d’aquestes, cap dels elements excavats proporcionà un nombre significatiu de materials de l’època. Per això, reflexionem també aquí sobre la problemàtica de l’escàs grau de protecció del patrimoni arqueològic de la Guerra Civil.In this paper we report the results of the archaeological intervention carried out on the remains of defensive structures from Spanish Civil War in the village of Sant Pau d’Ordal, Subirats (Alt Penedès, Barcelona) that were operational in the latter stages of the conflict in Catalonia (January 1939). Despite their high number, none of the items excavated provided a significant number of materials from the period. So here also it is reflected on the problem of the low level of protection of the archaeological heritage of the Spanish Civil War

Nitrogen-nitrogen bond cleavage catalyzed by ruthenium complexes

Several ruthenium complexes have been tested as catalysts for the cleavage of nitrogen-nitrogen bonds of mono, di and trisubstituted hydrazine derivatives. Better results were obtained using Ru(CO) as catalyst in this type of reactions. Addition of hydrogen sources, such as isopropanol or sodium hydride, to the reaction mixtures has been studied in order to improve the cleavage proces

Archaeology of the battle of Catalonia (1939). Excavations of a section of the defensive Line L-3 in Subirats (Alt Penedès, Barcelona)

En aquest article descrivim els resultats de la intervenció arqueològica realitzada en les restes de les estructures defensives de la Guerra Civil espanyola al poble de Sant Pau d’Ordal, Subirats (Alt Penedès, Barcelona) que van estar operatives en les darreres fases del conflicte a Catalunya (gener de 1939). Tot i l’elevat nombre d’aquestes, cap dels elements excavats proporcionà un nombre significatiu de materials de l’època. Per això, reflexionem també aquí sobre la problemàtica de l’escàs grau de protecció del patrimoni arqueològic de la Guerra Civil.In this paper we report the results of the archaeological intervention carried out on the remains of defensive structures from Spanish Civil War in the village of Sant Pau d’Ordal, Subirats (Alt Penedès, Barcelona) that were operational in the latter stages of the conflict in Catalonia (January 1939). Despite their high number, none of the items excavated provided a significant number of materials from the period. So here also it is reflected on the problem of the low level of protection of the archaeological heritage of the Spanish Civil War

Solution-based synthesis and processing of Sn- and Bi-doped Cu₃SbSe₄ nanocrystals, nanomaterials and ring-shaped thermoelectric generators

Copper-based chalcogenides that comprise abundant, low-cost, and environmental friendly elements are excellent materials for a number of energy conversion applications, including photovoltaics, photocatalysis, and thermoelectrics (TE). In such applications, the use of solution-processed nanocrystals (NCs) to produce thin films or bulk nanomaterials has associated several potential advantages, such as high material yield and throughput, and composition control with unmatched spatial resolution and cost. Here we report on the production of Cu₃SbSe₄ (CASe) NCs with tuned amounts of Sn and Bi dopants. After proper ligand removal, as monitored by nuclear magnetic resonance and infrared spectroscopy, these NCs were used to produce dense CASe bulk nanomaterials for solid state TE energy conversion. By adjusting the amount of extrinsic dopants, dimensionless TE figures of merit (ZT) up to 1.26 at 673 K were reached. Such high ZT values are related to an optimized carrier concentration by Sn doping, a minimized lattice thermal conductivity due to efficient phonon scattering at point defects and grain boundaries, and to an increase of the Seebeck coefficient obtained by a modification of the electronic band structure with Bi doping. Nanomaterials were further employed to fabricate ring-shaped TE generators to be coupled to hot pipes, which provided 20 mV and 1 mW per TE element when exposed to a 160 °C temperature gradient. The simple design and good thermal contact associated with the ring geometry and the potential low cost of the material solution processing may allow the fabrication of TE generators with short payback times

Helicobacter pylori Diagnostic Tests Used in Europe : Results of over 34,000 Patients from the European Registry on Helicobacter pylori Management

Funding Information: This study was funded by Richen; however, clinical data were not accessible and the company was not involved in any stage of the Hp-EuReg study (design, data collection, statistical analysis, or manuscript writing). We want to thank Richen for their support. This project was promoted and funded by the European Helicobacter and Microbiota Study Group (EHMSG), the Spanish Association of Gastroenterology (AEG) and the Centro de Investigación Biomédica en Red de Enfermedades Hepáticas y Digestivas (CIBERehd). The Hp-EuReg was co-funded by the European Union programme HORIZON (grant agreement number 101095359) and supported by the UK Research and Innovation (grant agreement number 10058099). The Hp-EuReg was co-funded by the European Union programme EU4Health (grant agreement number 101101252). Acknowledgments We want to especially thank Sylva-Astrik Torossian for her assistance in language editing. Natalia García Morales is the first author who is acting as the submission’s guarantor. All authors approved the final version of the manuscript.Peer reviewedPublisher PD

European Registry on Helicobacter pylori Management: Effectiveness of First and Second-Line Treatment in Spain

The management of Helicobacter pylori infection has to rely on previous local effectiveness due to the geographical variability of antibiotic resistance. The aim of this study was to evaluate the effectiveness of first and second-line H. pylori treatment in Spain, where the empirical prescription is recommended. A multicentre prospective non-interventional registry of the clinical practice of European gastroenterologists concerning H. pylori infection (Hp-EuReg) was developed, including patients from 2013 until June 2019. Effectiveness was evaluated descriptively and through a multivariate analysis concerning age, gender, presence of ulcer, proton-pump inhibitor (PPI) dose, therapy duration and compliance. Overall, 53 Spanish hospitals were included, and 10,267 patients received a first-line therapy. The best results were obtained with the 10-day bismuth single-capsule therapy (95% cure rate by intention-to-treat) and with both the 14-day bismuth-clarithromycin quadruple (PPI-bismuth-clarithromycin-amoxicillin, 91%) and the 14-day non-bismuth quadruple concomitant (PPI-clarithromycin-amoxicillin-metronidazole, 92%) therapies. Second-line therapies were prescribed to 2448 patients, with most-effective therapies being the triple quinolone (PPI-amoxicillin-levofloxacin/moxifloxacin) and the bismuth-levofloxacin quadruple schemes (PPI-bismuth-levofloxacin-amoxicillin) prescribed for 14 days (92%, 89% and 90% effectiveness, respectively), and the bismuth single-capsule (10 days, 88.5%). Compliance, longer duration and higher acid inhibition were associated with higher effectiveness. "Optimized" H. pylori therapies achieve over 90% success in Spain

The 16th Data Release of the Sloan Digital Sky Surveys: First Release from the APOGEE-2 Southern Survey and Full Release of eBOSS Spectra

This paper documents the 16th data release (DR16) from the Sloan Digital Sky Surveys (SDSS), the fourth and penultimate from the fourth phase (SDSS-IV). This is the first release of data from the Southern Hemisphere survey of the Apache Point Observatory Galactic Evolution Experiment 2 (APOGEE-2); new data from APOGEE-2 North are also included. DR16 is also notable as the final data release for the main cosmological program of the Extended Baryon Oscillation Spectroscopic Survey (eBOSS), and all raw and reduced spectra from that project are released here. DR16 also includes all the data from the Time Domain Spectroscopic Survey and new data from the SPectroscopic IDentification of ERosita Survey programs, both of which were co-observed on eBOSS plates. DR16 has no new data from the Mapping Nearby Galaxies at Apache Point Observatory (MaNGA) survey (or the MaNGA Stellar Library "MaStar"). We also preview future SDSS-V operations (due to start in 2020), and summarize plans for the final SDSS-IV data release (DR17)