Photoelectron diffraction investigation of the structure of the clean TiO2(110)(1×1) surface

The surface relaxations of the rutile TiO2(110)(1×1) clean surface have been determined by O 1 s and Ti 2p3∕2 scanned-energy mode photoelectron diffraction. The results are in excellent agreement with recent low-energy electron diffraction (LEED) and medium energy ion scattering (MEIS) results, but in conflict with the results of some earlier investigations including one by surface x-ray diffraction. In particular, the bridging O atoms at the surface are found to relax outward, rather than inward, relative to the underlying bulk. Combined with the recent LEED and MEIS results, a consistent picture of the structure of this surface is provided. While the results of the most recent theoretical total-energy calculations are qualitatively consistent with this experimental consensus, significant quantitative differences remain

A wireless and portable electronic nose to differentiate musts of different ripeness degree and grape varieties

Two novel applications using a portable and wireless sensor system (e-nose) for the wine producing industry—The recognition and classification of musts coming from different grape ripening times and from different grape varieties—Are reported in this paper. These applications are very interesting because a lot of varieties of grapes produce musts with low and similar aromatic intensities so they are very difficult to distinguish using a sensory panel. Therefore the system could be used to monitor the ripening evolution of the different types of grapes and to assess some useful characteristics, such as the identification of the grape variety origin and to prediction of the wine quality. Ripening grade of collected samples have been also evaluated by classical analytical techniques, measuring physicochemical parameters, such as, pH, Brix, Total Acidity (TA) and Probable Grade Alcoholic (PGA). The measurements were carried out for two different harvests, using different red (Barbera, Petit Verdot, Tempranillo, and Touriga) and white (Malvar, Malvasía, Chenin Blanc, and Sauvignon Blanc) grape musts coming from the experimental cellar of the IMIDRA at Madrid. Principal Component Analysis (PCA) and Probabilistic Neural Networks (PNN) have been used to analyse the obtained data by e-nose. In addition, and the Canonical Correlation Analysis (CCA) method has been carried out to correlate the results obtained by both technologies. © 2015 by the authors; licensee MDPI, Basel, Switzerland.This work is being supported by the Instituto Nacional de Investigación y Tecnología Agraria y Alimentaria (INIA) of the Economía y Competitividad Ministry, under the project RTA2011-00095-C02-02. We acknowledge support by the CSIC Open Access Publication Initiative through its Unit of Information Resources for Research (URICI).Peer Reviewe

The local adsorption structure of benzene on Si(001)-(2 × 1): a photoelectron diffraction investigation

Scanned-energy mode C 1s photoelectron diffraction has been used to investigate the local adsorption geometry of benzene on Si(001) at saturation coverage and room temperature. The results show that two different local bonding geometries coexist, namely the 'standard butterfly' (SB) and 'tilted bridge' (TB) forms, with a composition of 58 ± 29% of the SB species. Detailed structural parameter values are presented for both species including Si–C bond lengths. On the basis of published measurements of the rate of conversion of the SB to the TB form on this surface, we estimate that the timescale of our experiment is sufficient for achieving equilibrium, and in this case our results indicate that the difference in the Gibbs free energy of adsorption, ΔG(TB)−ΔG(SB), is in the range −0.023 to +0.049 eV. We suggest, however, that the relative concentration of the two species may also be influenced by a combination of steric effects influencing the kinetics, and a sensitivity of the adsorption energies of the adsorbed SB and TB forms to the nature of the surrounding benzene molecules

Vitamina E y aceites vegetales

An interest in vitamin E has increased in recent years due to its potent antioxidant properties and its role in preventing age-related diseases, cardiovascular diseases or Alzheimer. This work describes the biogenesis, bioavailability, nutritional requirements, activity and properties of vitamin E. Vegetable oils constitute one of the main sources of vitamin E dietary intake and an extensive bibliographic revision of this vitamin in vegetable oils is carried out from four points of view: antioxidant properties, health benefits, effects of external agents and effects of processing on vitamin E content and analytical techniques used for its analysis.El interés por la vitamina E ha aumentado en los últimos años debido a su potente poder antioxidante y a su papel frente a enfermedades relacionadas con la edad, trastornos cardiovasculares o Alzheimer. En este trabajo se detallan la biogénesis, biodisponibilidad, requerimientos nutricionales, actividad y propiedades de la vitamina E. Los aceites vegetales constituyen una de las fuentes principales de aporte de vitamina E a través de la dieta, por lo que se lleva a cabo una amplia revisión bibliográfica desde cuatro puntos de vista: vitamina E y propiedades antioxidantes, beneficios para la salud debidos a la ingestión de aceites vegetales, efecto de agentes externos y procesado sobre el contenido de vitamina E y técnicas analíticas utilizadas para su análisis

Remote Substituent Effects on the Stereoselectivity and Organocatalytic Activity of Densely Substituted Unnatural Proline Esters in Aldol Reactions

The organocatalytic activities of highly substituted proline esters obtained through asymmetric [3+2] cycloadditions of azomethine ylides derived from glycine iminoesters have been analyzed by 19F NMR and through kinetic isotope effects. Kinetic rate constants have been determined for unnatural proline esters incorporating different substituents. It has been found that exo-L and endo-L unnatural proline methyl esters yield opposite enantiomers in aldol reactions between cyclic ketones and aromatic aldehydes. The combined results reported in this study show subtle and remote effects that determine the organocatalytic behavior of these synthetic but readily available amino acid derivatives. These data can be used as design criteria for the development of new pyrrolidine-based organocatalysts.Financial support was provided by the Spanish Ministerio de Economía y Competitividad (MINECO) and the Fondo Europeo de Desarrollo Regional (FEDER) (projects CTQ2010-16959/BQU, CTQ2012-35535, CTQ2013-40855-R, CTQ2007-62771/BQU, CTQ2010-20387, CTQ2010-17436, and Consolider-Ingenio CSD2007-00006), the University of the Basque Country (UPV/EHU, UFI11/22 QOSYC), the Basque Government (GV/EJ, grant IT-324-07), the Generalitat Valenciana-FEDER (PROMETEO/2009/039), the Gobierno de Aragón-FSE (research group E40), and the University of Alicante. M. d. G. R. thanks the Donostia International Physics Center (DIPC) for a postdoctoral contract. M. S. and L. C. gratefully thank MINECO for a contract funding their PhD projects

Morphosedimentary characterization of the Capbreton submarine canyon system, Bay of Biscay (Cantabrian Sea)

Various studies have been carried out to the declaration of new marine protected areas for their importance for habitats, according to the Natura 2000 Network. One of these sites is a sector of the Capbreton Submarine Canyon System, located in front of the Basque Country coast, in the Bay of Biscay (North Atlantic). During the Intemares_CapBreton 0619 and 0620 surveys; bathymetric, backscatter, high-resolution parametric data and samples of sediments, rocks and benthic communities from the seabed were acquired. The study was completed by recording video transects with the underwater vehicle ROTV Politolana from the IEO. The processing and analysis of the geophysical information has allowed obtaining a detailed bathymetry grid of 10 × 10 m, from which the first morphosedimentary characterization of the system of tributary canyons to the E-W trending main canyon and its interfluves has been made. One of the main features of this canyon system is the presence of a large pockmark field on adjacent platforms between canyons, located between 500 and 1000 m water depth. Within this field, pockmarks are shown as circular to elliptical depressions, most likely related to gas rich-fluid emissions to the subsurface.Versión del edito

Resistive gas sensors based on MoS2 nanosheets with high response to low NO2 concentrations

Talk delivered at the 13th Spanish Conference on Electron Devices, CDE 2021, Sevilla (Spain) 9 June 2021 - 11 June 2021, 171142.This work reports on two-dimensional MoS 2 nanomaterial-based resistive gas sensors and their response to sub-ppm NO 2 concentrations. The sensitive material was prepared by drop-casting MoS 2 nanosheet dispersions on silicon nitride suspended membranes. The sensor response was studied at operating temperatures up to 300 °C. The fabricated sensors provided good responses to NO 2 concentrations as low as 20 ppb at room temperature. The n-type MoS 2 sensing mechanism is here discussed.10.13039/501100004837-Spanish Ministry of Science and Innovation (Grant Number: PID2019-107697RB-C43)Peer reviewe

Polyaniline/palladium nanohybrids for moisture and hydrogen detection.

Palladium nanoparticles display fascinating electronic, optical and catalytic properties, thus they can be used for various applications such as sensor fabrication. Conducting polymers such as polyaniline have also been widely used in sensor technology due to its cost effectiveness, versatility, and ease of synthesis. In this research, attention was given to unify the exceptional properties of these two materials and construct palladium nanoparticle coated polyaniline films to detect hydrogen and moisture. Electrochemical polymerization of aniline was carried out on gold sputtered epoxy resin boards. Polyaniline film was generated across a gap of 0.2 mm created by a scratch made on the gold coating prior to electrochemical polymerization. A palladium nanoparticle dispersion was prepared using sonochemical reduction method and coated on to polyaniline film using drop-drying technique. Polyaniline only films were also fabricated for comparative analysis. Sensitivity of films towards humidity and hydrogen was evaluated using impedance spectroscopy in the presence of the respective species. According to the results, polyaniline films exhibited an impedance drop in the presence of humidity and the response was significantly improved once palladium nanoparticles were incorporated. Interestingly, polyaniline only films did not respond to hydrogen. Nevertheless, palladium nanoparticle coated polyaniline films exhibited remarkable response towards hydrogen