Graphdiyne based membranes: exceptional performances for helium separation applications

Graphdiyne is a novel two-dimensional material deriving from graphene that has been recently synthesized and featuring uniformly distributed sub-nanometer pores. We report accurate calculations showing that graphdiyne pores permit an almost unimpeded helium transport which can be used for its chemical and isotopic separation. Exceptionally high He/CH_4 selectivities are found which largely exceed the performance of the best membranes used to date for extraction from natural gas. Moreover, by exploiting slight differences in the tunneling probabilities of ^3He and ^4He, we also find promising results for the separation of the Fermionic isotope at low temperature

Transmission of Helium through Graphynes Pores: First Principles Calculations and Quantum Mechanical Simulations

AMOC 2015, Anharmonicity in médium-sized molecules and cluster, CSIC, Madrid (Spain), 26-30 April 2015; http://tct1.iem.csic.es/AMOC2015.htmPeer Reviewe

Interactions in Oxygen: from the gas to high pressure solid phases

7th International Meeting on Photodynamics, Maresias SP, Brazil, 14-20 Oct. 2012Peer Reviewe

The Molecular Oxygen Tetramer: Intermolecular Interactions and Implications for the ϵ\epsilon Solid Phase

Recent data have determined that the structure of the high pressure $\epsilon$ phase of solid oxygen consists of clusters composed of four O$_2$ molecules. This finding has opened the question about the nature of the intermolecular interactions within the molecular oxygen tetramer. We use multiconfigurational ab initio calculations to obtain an adequate characterization of the ground singlet state of (O$_2$)$_4$ which is compatible with the non magnetic character of the $\epsilon$ phase. In contrast to previous suggestions implying chemical bonding, we show that (O$_2$)$_4$ is a van der Waals like cluster where exchange interactions preferentially stabilize the singlet state. However, as the cluster shrinks, there is an extra stabilization due to many-body interactions that yields a significant softening of the repulsive wall. We show that this short range behavior is a key issue for the understanding of the structure of $\epsilon$-oxygen

El profesor universitario de Comunicación: acceso, consumo y cultura mediática. Un estudio comparativo entre España y México

El profesorado universitario en Comunicación traslada al aula algunas de las piezas que previamente ha consumido como soporte del estudio del caso. Metodología. Esta investigación analiza, a través de la técnica de la encuesta, el consumo mediático de los docentes españoles (Universidad de Valladolid) y mexicanos (Universidad La Salle. Ciudad de México), valorando sus hábitos informativos, prioridad y percepción de la calidad concedida a los distintos medios, así como el grado de interactividad que se establece con los mismos. Resultados y conclusiones. Los resultados revelan que el acceso a la prensa, la radio y la televisión además de ser diario se realiza mediante el soporte tradicional; que las nuevas pantallas –smartphone, tableta y portátil– orientadas hacia la información tienen en este grupo una penetración intermedia y que se interacciona con las empresas periodísticas principalmente a través del comentario en redes sociales de las noticias más relevante

Erratum: Molecular oxygen tetramer (O2)4: Intermolecular interactions and implications for the ε solid phase

1 págs.; 1 fig.; PACS number(s): 36.40.−c, 31.15.ae, 34.20.Gj, 62.50.−p, 99.10.CdErratum to: (Physical Review B - Condensed Matter and Materials Physics (2011) 84 (092105)Peer Reviewe

Guía gallega de manejo de la trombosis asociada a cáncer. II edición

Esta guía práctica y sencilla, guiará en el diagnóstico y tratamiento de los pacientes con trombosis y cáncer. Pretende reducir la variabilidad en el manejo en la Comunidad Autónoma de Galicia y reducir el impacto negativo que la trombosis presenta en los pacientes con cáncer.This practical and simple guide will guide in the diagnosis and treatment of patients with thrombosis and cancer. It aims to reduce variability in management in the Autonomous Community of Galicia and reduce the negative impact that thrombosis has on cancer patients.Esta guía práctica e sinxela, guiará no diagnóstico e tratamento dos pacientes con trombose e cancro. Pretende reducir a variabilidade no manexo na Comunidade Autónoma de Galicia, e reducir o impacto negativo que a trombose presenta nos pacientes con cancro.Con el Aval de la Sociedad Oncológica de Galicia (SOG) y la Sociedade Galega de Medicina Interna (SOGAMI). Publicado en Barcelona por Bubblegum Communication Services el 25 de ocutubre de 2019. ISBN: 978-84-09-1419-4LEO Pharm

Do Clinical Trials Meet Current Care Needs? Views of Digestive Oncology Specialists in Galicia (Spain) Using the Delphi Method

Background: In recent years, abundant scientific evidence has been generated based on clinical trials (CT) in the field of oncology. The general objective of this paper is to find out the extent to which decision making is based on knowledge of the most recent CT. Its specific objectives are to pinpoint difficulties with decision making based on the CT performed and find out the motivations patients and clinicians have when taking part in a CT. Methodology: Combined, prospective study, based on the Delphi method. A lack of correspondence between the people who take part in CT and patients who come for consultation has been identified. A need for training in analysing and interpreting CT has also been identified and a lack of trust in the results of CT financed by the pharmaceutical industry itself has been perceived. Conclusions: There is a difficulty in selecting oncological treatment due to the lack of correspondence between the patients included in the CT and patients seen in consultation. In this process, real world data studies may be highly useful, as they may provide this group with greater training in interpreting CT and their results.S

Global potential energy surface for the O2 + N2 interaction. Applications to the collisional, spectroscopic, and thermodynamic properties of the complex

A detailed characterization of the interaction between the most abundant molecules in air is important for the understanding of a variety of phenomena in atmospherical science. A completely {\em ab initio} global potential energy surface (PES) for the O$_2(^3\Sigma^-_g)$ + N$_2(^1\Sigma^+_g)$ interaction is reported for the first time. It has been obtained with the symmetry-adapted perturbation theory utilizing a density functional description of monomers [SAPT(DFT)] extended to treat the interaction involving high-spin open-shell complexes. The computed interaction energies of the complex are in a good agreement with those obtained by using the spin-restricted coupled cluster methodology with singles, doubles and noniterative triple excitations [RCCSD(T)]. A spherical harmonics expansion containing a large number of terms due to the anisotropy of the interaction has been built from the {\em ab initio} data. The radial coefficients of the expansion are matched in the long range with the analytical functions based on the recent {\em ab initio} calculations of the electric properties of the monomers [M. Bartolomei et al., J. Comp. Chem., {\bf 32}, 279 (2011)]. The PES is tested against the second virial coefficient $B(T)$ data and the integral cross sections measured with rotationally hot effusive beams, leading in both cases to a very good agreement. The first bound states of the complex have been computed and relevant spectroscopic features of the interacting complex are reported. A comparison with a previous experimentally derived PES is also provided

CIBERER : Spanish national network for research on rare diseases: A highly productive collaborative initiative

Altres ajuts: Instituto de Salud Carlos III (ISCIII); Ministerio de Ciencia e Innovación.CIBER (Center for Biomedical Network Research; Centro de Investigación Biomédica En Red) is a public national consortium created in 2006 under the umbrella of the Spanish National Institute of Health Carlos III (ISCIII). This innovative research structure comprises 11 different specific areas dedicated to the main public health priorities in the National Health System. CIBERER, the thematic area of CIBER focused on rare diseases (RDs) currently consists of 75 research groups belonging to universities, research centers, and hospitals of the entire country. CIBERER's mission is to be a center prioritizing and favoring collaboration and cooperation between biomedical and clinical research groups, with special emphasis on the aspects of genetic, molecular, biochemical, and cellular research of RDs. This research is the basis for providing new tools for the diagnosis and therapy of low-prevalence diseases, in line with the International Rare Diseases Research Consortium (IRDiRC) objectives, thus favoring translational research between the scientific environment of the laboratory and the clinical setting of health centers. In this article, we intend to review CIBERER's 15-year journey and summarize the main results obtained in terms of internationalization, scientific production, contributions toward the discovery of new therapies and novel genes associated to diseases, cooperation with patients' associations and many other topics related to RD research