Theoretical Kinetics Study of the F(2P) + NH3 Hydrogen Abstraction Reaction

The hydrogen abstraction reaction of fluorine with ammonia represents a true chemical challenge because it is very fast, is followed by secondary abstraction reactions, which are also extremely fast, and presents an experimental/theoretical controversy about rate coefficients. Using a previously developed full-dimensional analytical potential energy surface, we found that the F + NH3 → HF + NH2 system is a barrierless reaction with intermediate complexes in the entry and exit channels. In order to understand the reactivity of the title reaction, thermal rate coefficidents were calculated using two approaches: ring polymer molecular dynamics and quasi-classical trajectory calculations, and these were compared with available experimental data for the common temperature range 276–327 K. The theoretical results obtained show behavior practically independent of temperature, reproducing Walther–Wagner’s experiment, but in contrast with Persky’s more recent experiment. However, quantitatively, our results are 1 order of magnitude larger than those of Walther–Wagner and reasonably agree with the Persky at the lowest temperature, questioning so Walther−Wagner’s older data. At present, the reason for this discrepancy is not clear, although we point out some possible reasons in the light of current theoretical calculationsThis work was partially supported by Gobierno de Extremadura, Spain, and FEDER (Project No. IB10001). Y.V.S. acknowledges the support of a Combustion Energy Research Fellowship through the Combustion Energy Frontier Research Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Award Number DE-SC0001198. A.F-.R. thanks Xunta de Galicia through Grant No. 2012/314 para a consolidación e a estruturación de unidades de investigación competitivas do Sistema Universitario de Galicia, 2012S

Serve profile of male and female professional tennis players at the 2015 Roland Garros Grand Slam tournament

The aim of this study was to compare the serve statistics profile of male and female high-level tennis players. In all, 111 tennis singles matches of the Roland Garros 2015 tennis tournament were collected and 10 variables related to first and second serve were analyzed according to service box (deuce and advantage sides) and landing location (wide, body and T-areas). The results show: (a) men served faster than women; (b) men served a higher percentage of serves at T-area on deuce side (35.0 vs 27.7%) and at the wide zone on advantage side (44.1 vs 36.7%) with first serves, while women hit more to the body on both sides; (c) men won a higher percentage of points with their first serve compared to women at any zone on both sides, except for the T-area on deuce side; (d) with their second serve, men placed a greater percentage of serves in the T-area on deuce side (28.0 vs 21.8%) and wide on the advantage side, whereas women directed more to the body on the advantage side (41.4 vs 33.5%); (e) men won a higher percentage of points with their second serve when they placed it to the body zone on deuce side (54.1 vs 47.1%) and at the T-area on the advantage side (64.4% vs 44.1%). Our conclusions are that with respect to gender, players showed differing serve patterns. Men served faster, with higher success and placed their serves more frequently to the external areas of the service boxes, while women directed a higher percentage of serves to the body of their opponent

Enigmatic coloration pattern in greater weever Trachinus draco Linnaeus, 1758 and its biological significance

A total of 58 specimens of Trachinus draco Linnaeus, 1758 were caught in Galician waters (Northwest Spain) and the Gulf of Cádiz (South Spain) between June and November 2020. Twenty-eight of them were males, showed a distinct dark patch located above the pectoral fin and below the lateral line on both sides of the body. Bibliographic and photographic data showed the same coloration pattern over time and throughout their range of distribution. A temporary nuptial coloration in males is proposed for the first time as the cause of this coloration.En prensa0,40

Osteitis condensante de clavícula

La osteítis condensante de clavícula es una lesión ósea infrecuente, benigna y de etiología desconocida. Se caracteriza por esclerosis densa y homogénea de la porción infero-medial clavicular con obliteración de la cavidad medular sin afectación de la articulación esternoclavicular. Hasta ahora sólo se había descrito en mujeres, en el presente trabajo presentamos un caso en un paciente varón. Se discute el diagnóstico diferencial con otras entidades que producen afectación similar y proponemos la TC como método diagnóstico de elección, defendiendo el tratamiento conservador.Condensing osteitis of the clavicle is a benign and uncommon bone lesion of unknown cause, characterized by homogeneously dense sclerotic patch with obliteration of the marrow cavity at the medial end of the clavicle without involvement of the sternoclavicular joint. To date it had been described only in women. In this work we report a case in a male patient. The differential diagnosis with other disorders of similar findings is discussed. We propose CT-scan as the elective diagnostic test and we defend the conservative treatment

Efecto de la temperatura de termotratamiento en el comportamiento eléctrico de la madera de pino radiata

Se analiza el efecto de la temperatura del termotratamiento sobre la conductividad eléctrica de la madera de pino radiata. Sobre probetas de madera de pino radiata de procedencia País Vasco (España), termotratada a 190ºC y 210ºC por el método Thermowood así como sobre piezas testigo de la misma especie, procedencia y dimensiones, acondicionadas todas ellas hasta masa constante a 20ºC/40%HR, 20ºC/65%HR y 20ºC/90%HR se evaluó la resistencia eléctrica (longitudinal y transversal) y, posteriormente, se ajustó el modelo Samuelson para modelizar en cada tipo de material la relación humedad de la madera-resistencia eléctrica. Se concluye que la temperatura empleada en el tratamiento térmico de la madera afecta no sólo a la humedad de equilibrio sino, también, a su conductividad eléctrica, siendo máximo este efecto en el tratamiento efectuado a 210ºC

Murine muscle engineered from dermal precursors: an in vitro model for skeletal muscle generation, degeneration and fatty infiltration.

Skeletal muscle can be engineered by converting dermal precursors into muscle progenitors and differentiated myocytes. However, the efficiency of muscle development remains relatively low and it is currently unclear if this is due to poor characterization of the myogenic precursors, the protocols used for cell differentiation, or a combination of both. In this study, we characterized myogenic precursors present in murine dermospheres, and evaluated mature myotubes grown in a novel three-dimensional culture system. After 57 days of differentiation, we observed isolated, twitching myotubes followed by spontaneous contractions of the entire tissue-engineered muscle construct on an extracellular matrix (ECM). In vitro engineered myofibers expressed canonical muscle markers and exhibited a skeletal (not cardiac) muscle ultrastructure, with numerous striations and the presence of aligned, enlarged mitochondria, intertwined with sarcoplasmic reticula (SR). Engineered myofibers exhibited Na+- and Ca2+-dependent inward currents upon acetylcholine (ACh) stimulation and tetrodotoxin-sensitive spontaneous action potentials. Moreover, ACh, nicotine, and caffeine elicited cytosolic Ca2+ transients; fiber contractions coupled to these Ca2+ transients suggest that Ca2+ entry is activating calcium-induced calcium release from the SR. Blockade by d-tubocurarine of ACh-elicited inward currents and Ca2+ transients suggests nicotinic receptor involvement. Interestingly, after 1 month, engineered muscle constructs showed progressive degradation of the myofibers concomitant with fatty infiltration, paralleling the natural course of muscular degeneration. We conclude that mature myofibers may be differentiated on the ECM from myogenic precursor cells present in murine dermospheres, in an in vitro system that mimics some characteristics found in aging and muscular degeneration

Low refractive index SiOF thin films prepared by reactive magnetron sputtering

We have studied low refractive index fluorine doped silica thin films prepared by reactive magnetron sputtering. Two experimental parameters were varied to increase the porosity of the films, the geometry of the deposition process (i.e., the use of glancing angle deposition) and the presence of chemical etching agents (fluorine species) at the plasma discharge during silica film growth. The microstructure, chemistry, optical properties, and porosity of the films have been characterized by scanning electron and atomic force microscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, UV-Vis, and spectroscopic ellipsometry. It is found that either the deposition at glancing angles or the incorporation of CFx species in the plasma discharge during film growth produces a decrease in the refractive index of the deposited silica films. The combined effect of the two experimental approaches further enhances the porosity of the silica films. Finally, the films prepared in a glancing geometry exhibit negative uniaxial birefringence

Multipurpose underwater manipulation for archaeological intervention

This paper presents a new research line recently started by our team in the context of semi-autonomous underwater robotic intervention applied to the archaeological domain. This new research line is supported by the Spanish Ministry and represents an extension of previous developed work through different national and international projects. The robotic system under development will assist the archaeologist in the detailed work of monitoring, characterization, study, reconstruction and preservation of archaeological sites, always in accordance with the continuous supervision of the human expert.Peer Reviewe

Understanding the ellagitannin extraction process from oak wood

[EN] The extractability of the main oak ellagitannins has been studied in five model solutions containing different types of oak chips (two sizes and different toasting degrees for each size). A new extraction kinetic model has been proposed from the quantitative experimental results obtained by means of HPLCeESI-MS/MS-multiple reaction monitoring method. The model considers an initial extraction (i.e., washing step) followed by a diffusion step, which involves two different processes that follow first-order kinetics at different rates. Differences in the extractability of the ellagitannins in the different model solutions have been observed and explained on the basis of the kinetic model here proposed