1-(5-Hydroxy-1-phenyl-3-trifluoromethyl-1H-pyrazol-1-yl)ethanone

The crystal structure of the title compound, C12H9F3N2O2, contains two independent mol­ecules in the asymmetric unit. The mol­ecules are chemically identical but exhibit a significant difference in the dihedral angles between the mean planes of the phenyl and pyrazole rings, with values of of 11.62 (13) and 18.17 (11)°. Moreover, the trifluoro­methyl group in one of the mol­ecules shows rotational disorder of the F atoms, with site occupancy factors of 0.929 (6) and 0.071 (6). The hydroxyl group in each of the mol­ecules shows a strong intra­molecular hydrogen bond with the carbonyl O atom, forming a six-membered ring and forcing the formyl group and pyrazole ring to be coplanarshowing C—C—C—O torsion angles of ?0.3(5)o and 0.°. Weak inter­molecular C—H⋯O and C—H⋯F inter­actions contribute to the stabilization of the crystal packing

2-Phenyl-5-(trifluoro­meth­yl)pyrazol-3(2H)-one

The title compound, C10H7F3N2O, is an analogue of pyrazolone derivatives with potential analgesic and anti-inflammatory properties. Its mol­ecular structure consists of phenyl and pyrazol-3(2H)-one units with a dihedral angle between the mean planes of the rings of 33.0 (1)°. The crystal structure is stabilized by an inter­molecular hydrogen bond between the N—H group and the carbonyl O atom of the pyrazol-3(2H)-one ring which links the mol­ecules into supra­molecular C(5) chains along [001] and by weak π–π stacking inter­actions between the phenyl rings [centroid-centroid distance = 3.881 (2) Å]. The F atoms are disordered over two positions with refined site occupancies of 0.768(11) and 0.232(11)

Selective hydrodeoxygenation of biomass derived 5-hydroxymethylfurfural over silica supported iridium catalysts

Catalytic performance of iridium supported on SiO2 was investigated for 5-hydroxymethylfurfural (HMF) transformation. Ir/SiO2 catalysts exhibiting different metal loading (1, 3, and 5¿wt.%) were tested in the preliminary experiments in the hydrogenation of two probe molecules, e.g. ethyl pyruvate (EP) and ketopantolactone (KP) to evaluate the Ir dispersion on the catalyst activity in CO hydrogenation. In the transformation of HMF the influence of metal dispersion, iridium precursor and addition of H2SO4 were studied revealing that 2,5-bis-(hydroxymethyl)furan (BHMF) was the main product with 83% selectivity at 70% conversion of HMF over chlorine free Ir/SiO2 together with H2SO4 at 333¿K in THF under 10¿bar H2 pressure. On the other hand, one-pot synthesis of HMF to 2,5-dimethylfuran (DMF) was promoted in the presence of chlorine containing 1%Ir/SiO2(Cl) and H2SO4. Both of these products are considered high value-added chemicals from biomass-derived 5-hydroxymethylfurfural. The exposed iridium atoms together with the total acid sites are an important catalytic descriptor for hydrogenation of HMF to BHMF.Peer ReviewedPreprin

Characteristic of the fluids involved in very low-grade metamorphic processes in the Cordillera de la Costa, Chile Central

Documento publicado en: http://www.ehu.eus/sem/seminario_pdf/SEMINARIOS_SEM_3_110.pdfComunicación presentada en el Seminario de la Sociedad Española de Mineralogía, celebrado en Jaén en septiembre de 2007.Current researchs on very low-grade metabasites are mostly centred on the establishment of the metamorphic paragenesis and determination of mineral chemistry as a tool to quantify P-T conditions. Nevertheless, few works has been designed with the aim to characterise fluids involved in these very low-grade metamorphic processes. In this sense, a study of the fluids involved in the genesis of the very low- grade metamorphism found in Lower Cretaceous volcanic and volcaniclastic rocks from the Coastal Range of central Chile has been carried out. Volcanism was generated in extensional intra-arc basins, dominated by high subsidence rate during the subduction of the Pacific Plate under the South American Plate (e.g. Morata and Aguirre, 2003a). This study has been performed on samples coming from La Serena (≈30°00'S) and Melipilla (≈33º50'S). In both areas, volcanic and volcaniclastic rocks evidence metamorphic minerals ranging from the high-T zeolites to the prehnite-pumpellyite metamorphic facies (e.g. Morata et al., 2003), Metamorphic minerals appear as pseudomorphs of previous igneous phases or as replacement of the volcanic groundmass and/or infilling open spaces. The occasional higher size of metamorphic minerals in this last metadomaim favoured the application of fluid inclusion and isotopic techniques with the aim to investigate the chemical composition of metamorphic fluids. The microthermometric study of fluid inclusions in prehnite and calcite shows the presence of fluids with moderate temperatures of homogenisation (<200ºC) and lightly saline (up to 25% wt. % NaCl equivalent). The REE contents of the separate minerals are smaller than those of the host volcanic rocks, with negative and positive anomalies of Eu for prehnite and epidote respectively. The study of the stable (δ13C: between -3 and -10‰; δ18O: between 5 and 25‰, and δD: between -40 and -100‰) and radiogenic isotopes (87Sr/86Sr: 0.7037-0.7100) in different mineral concentrates shows wide ranges of values that involve different types of fluids and processes. It is necessary to highlight the presence of surface fluids (with variable prevalence of seawater or of meteoric water according to different formations), variations in the fluid/rock relationship and in the oxygen fugacity and participation of C of diverse source (biogenic origin, dissolution of carbonate rocks). In conclusion, the use of metamorphic minerals infilling open space in very low-grade metamorphic terrain seems to be a very important useful tool for the complete characterisation of metamorphic fluids in such very low P-T processes.Departamento de Mineralogía y Petrología (Universidad de Granada) Departamento de Didáctica de las Ciencias Experimentales (Universidad de Granada

Significance of K-Ar dating of very low-grade metamorphism in Triassic-Jurassic pelites from the Coastal Range of central Chile

El artículo original ha sido publicado por la Mineralogical Society disponible en: http://www.minersoc.org/pages/e_journals/clay.htmlK-Ar isotopic dating of very low-grade metamorphism affecting Triassic-Jurassic rocks in the Coastal Range of central Chile was carried out on whole rocks and their <2 mm size fractions. In the study area, a regional-burial low-grade metamorphism at anchizone conditions (T ≤ 190ºC) and low-pressure conditions (P ≥1.3 kbar) has been described. Observed temperatures are related to a contact metamorphism produced by nearby Jurassic intrusions, with a P-T estimate at the immediate contact zone of ~650-690ºC and 4 kbar. The whole-rock K-Ar age of 174?5 Ma is interpreted as belonging to the contact metamorphism due to the intrusion of Jurassic plutons (165±5 Ma to 175±5 Ma). A time-interval of ~20 Ma between the diagenesis (206 Ma) and the anchizonal very low-grade metamorphism (181-184 Ma) is obtained, and a rate of subsidence of ~120 m/Ma is proposed for these Triassic-Jurassic basins. A thermal influence on the burial, very low-grade, regional metamorphism is invoked.Departamento de Mineralogía y Petrologí

The influence of natural flow regimes on macroinvertebrate assemblages in a semiarid Mediterranean basin

The investigation of flow-ecology relationships constitutes the basis for the development of environmental flow criteria. The need to understand hydrology-ecology linkages in natural systems has increased owing to the prospect of climate change and flow regime management, especially in water-scarce areas such as Mediterranean basins. Our research quantified the macroinvertebrate community response at family, genus and species level to natural flow regime dynamics in freshwater streams of a Mediterranean semiarid basin (Segura River, SE Spain) and identified the flow components that influence the composition and richness of biotic assemblages. Flow stability and minimum flows were the principal hydrological drivers of macroinvertebrate assemblages, whereas the magnitude of average and maximum flows had a limited effect. Perennial stable streams were characterized by flow sensitive lotic taxa (Ephemeroptera, Plecoptera and Trichoptera) and intermittent streams by predominately lentic taxa (Odonata, Coleoptera, Heteroptera and Diptera). Relatively minor biological changes were recorded for intermediate flow regime classes along a gradient of flow stability. Seasonal variation and minimum flows are key hydrological components that need to be considered for river management and environmental flows in the Segura River basin and other Mediterranean basins. The anthropogenic modification of these parameters, due to both human activities and climate change, would probably lead to significant changes in the structure and composition of communities in perennial stable streams. This would be characterized by a reduction of flow sensitive Ephemeroptera, Plecoptera and Trichoptera taxa and an increase in more resilient Odonata, Coleoptera, Heteroptera and Diptera taxa. © 2012 John Wiley & Sons, Ltd

Modeling internal flow and primary atomization in a simplex pressure-swirl atomizer

Authors from Universite¿ de Rouen Normandie thankfully acknowledge the computer resources at IDRIS, TGCC, and CINES under the allocation A0112B06153 and A0092B06153 made by Grand Equipement National de Calcul Intensit (GENCI) and also for the computing time at Centre Regional Informatique et d Applications Numeriques de Normandie (CRIANN) under the scientific Project No. 2006011. This work has been possible thanks to the CHAIRLIFT European Project No. 831881-CHAiRLIFT-H2020-CS2-CFP08-2018-01. Authors from Universitat Polite`cnica de Vale`ncia thankfully acknowledge the computer resources at Altamira (RES-IM-2020-1-0018) and MareNostrum (RES-IM-2020-412-0009) in the frame of the Spanish Supercomputing Network. Additionally, the support given to Dr. Marcos Carreres by Ministerio de Educacio¿n, Cultura y Deporte through the Estancias de movilidad en el extranjero Jose¿ Castillejo para jo¿venes doctores Grant (ref. CAS18/00289) within the Programa Estatal de Promocio¿n del Talento y su Empleabilidad en I+D+I, Subprograma Estatal de Movilidad, del Plan Estatal de I+D+I is gratefully acknowledged.Ferrando, D.; Carreres, M.; Belmar-Gil, M.; Cervelló-Sanz, D.; Duret, B.; Reveillon, J.; Salvador, FJ.... (2023). Modeling internal flow and primary atomization in a simplex pressure-swirl atomizer. Atomization and Sprays. 33(3):1-28. https://doi.org/10.1615/AtomizSpr.202204482412833

Socio-economic and Technical Characteristics of Backyard Animal Husbandry in Two Rural Communities of Yucatan, Mexico

This research work was conducted in order to asses the socio-economic and technical aspects of backyard animal rearing in two communities of Yucatán, México. One hundred and thirty nine families were interviewed in Sudzal (C1) and 117 families in San Jose Tzal (C2). A structured questionnaire was used to interview the families on technical and socio-economic aspects. Using this information the technical level of animal husbandry and a index of socio-economic status of the families involved in backyard animal rearing in both communities were determined. In C1 46.8% of the interviewed families reared animals in their backyard in comparison to 70.9% in C2. Main animal species kept in the backyard were chickens (C1= 92.3% and C2= 88.0), turkeys (C1= 63.1% and C2= 55.4%) and pigs (C1= 38.5% and 1C2= 5. 7% in C1 and C2 respectively). In C2 100% of pigs kept in the backyard were of the commercial type. Technical level in animal production was significantly higher (P 0.0001) in C2 than in C1, because utilisation of commercial diets was higher in C2 (P 0.001) than in C1. The families of C2 had a higher socio-economic level (P 0.002) than families from C1, because families of C2 have houses built with lasting materials (P 0.0001) and the occupation of the head of the family was associated with higher income (merchants or employees) (P 0.0001). The correlation coefficients between socio-economic status and technical level in backyard animal production showed that 84% of the technical level was explained by the socio-economic status. It can be concluded that socio-economic status has a high influence on backyard animal production characteristics. The socio-economic status determine the number of animals kept and the technical level in animal rearing

A CD3-Specific Antibody Reduces Cytokine Production and Alters Phosphoprotein Profiles in Intestinal Tissues From Patients With Inflammatory Bowel Disease

NOTICE: this is the author’s version of a work that was accepted for publication in Gastroenterology. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in GASTROENTEROLOGY, 10.1053/j.gastro.2014.03.04

Geometrical isotropy in perforated plates with subwavelength holes decorated with Archimedean patterns

The design and use of small apertures perforated in opaque plates to control the transmission of ultrasonic waves has been widely studied in recent years. The ultrasonic transmission response of brass plates perforated with Archimedean patterns of subwavelength hole arrays immersed in water is reported, both numerically and experimentally, in this work. It is shown that an increase in the geometrical isotropy of the elementary cells of the Archimedean patterns gives rise to a suppression of both minimum and maximum transmission corresponding to the destructive and constructive interferences, leading to uniformity within the angle-dependent transmitted sound power coefficient. The experimental results are in close agreement with the calculated ones. This property can be used to design ultrasonic devices such as filters and sensors.This work has been supported by the Spanish MICINN (MAT2010-16879) and Generalitat Valenciana (PROM-ETEOII/2014/026).Gómez Lozano, V.; Rubio Michavila, C.; Candelas Valiente, P.; Belmar Ibáñez, F.; Uris Martínez, A. (2015). Geometrical isotropy in perforated plates with subwavelength holes decorated with Archimedean patterns. EPL. 111(3):34002p1-34002p5. https://doi.org/10.1209/0295-5075/111/34002S34002p134002p5111