High-pressure Raman scattering in bulk HfS2: comparison of density functional theory methods in layered MS2 compounds (M = Hf, Mo) under compression

We report high-pressure Raman-scattering measurements on the transition-metal dichalcogenide (TMDC) compound HfS2. The aim of this work is twofold: (i) to investigate the high-pressure behavior of the zone-center optical phonon modes of HfS2 and experimentally determine the linear pressure coefficients and mode Grüneisen parameters of this material; (ii) to test the validity of different density functional theory (DFT) approaches in order to predict the lattice-dynamical properties of HfS2 under pressure. For this purpose, the experimental results are compared with the results of DFT calculations performed with different functionals, with and without Van der Waals (vdW) interaction. We find that DFT calculations within the generalized gradient approximation (GGA) properly describe the high-pressure lattice dynamics of HfS2 when vdW interactions are taken into account. In contrast, we show that DFT within the local density approximation (LDA), which is widely used to predict structural and vibrational properties at ambient conditions in 2D compounds, fails to reproduce the behavior of HfS2 under compression. Similar conclusions are reached in the case of MoS2. This suggests that large errors may be introduced if the compressibility and Grüneisen parameters of bulk TMDCs are calculated with bare DFT-LDA. Therefore, the validity of different approaches to calculate the structural and vibrational properties of bulk and few-layered vdW materials under compression should be carefully assessed

High-pressure Raman scattering in bulk HfS2: comparison of density functional theory methods in layered MS2 compounds (M = Hf, Mo) under compression

We report high-pressure Raman-scattering measurements on the transition-metal dichalcogenide (TMDC) compound HfS2. The aim of this work is twofold: (i) to investigate the high-pressure behavior of the zone-center optical phonon modes of HfS2 and experimentally determine the linear pressure coefficients and mode Grüneisen parameters of this material; (ii) to test the validity of different density functional theory (DFT) approaches in order to predict the lattice-dynamical properties of HfS2 under pressure. For this purpose, the experimental results are compared with the results of DFT calculations performed with different functionals, with and without Van der Waals (vdW) interaction. We find that DFT calculations within the generalized gradient approximation (GGA) properly describe the high-pressure lattice dynamics of HfS2 when vdW interactions are taken into account. In contrast, we show that DFT within the local density approximation (LDA), which is widely used to predict structural and vibrational properties at ambient conditions in 2D compounds, fails to reproduce the behavior of HfS2 under compression. Similar conclusions are reached in the case of MoS2. This suggests that large errors may be introduced if the compressibility and Grüneisen parameters of bulk TMDCs are calculated with bare DFT-LDA. Therefore, the validity of different approaches to calculate the structural and vibrational properties of bulk and few-layered vdW materials under compression should be carefully assessed. © 2018, The Author(s).Work supported by the Spanish Government through projects MAT2015-71035-R and FIS2017-83295-P, and by the National Science Centre (NCN) Poland POLONEZ 3 no. 2016/23/P/ST3/04278 and grant OPUS 11 no.2016/21/B/ST3/00482. This project has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 665778. T.W. acknowledges support within the Maestro grant from NCN (no. 2014/14/A/ST3/0065). F. D. acknowledges the support within the FUGA grant from the NCN (No. 2014/12/S/ST3/00313). DFT calculations were performed at ICM at the University of Warsaw, and at ICTJA-CSIC.Peer reviewe

Restauración y manejo de pinares de pino carrasco tras incendio en el sureste de la Península Ibérica

En el contexto actual de cambio global y en particular, de cambio climático, el régimen de incendios en la Cuenca Mediterránea se está viendo modificado. En el sureste de la Península Ibérica Pinus halepensis es la especie arbórea principal de las masas forestales. En este trabajo se ha realizado una revisión sobre la evolución de las masas de pino carrasco después de incendio, observando diferentes comportamientos en su regeneración natural. Esta regeneración no siempre está garantizada, dando lugar a una elevada densidad de brinzales o bien una ausencia total de los mismos pudiendo requerir una restauración forestal. Ambos casos demandan un seguimiento de la masa a corto, medio y largo plazo, para mejorar su manejo post-incendio, y así valorar qué tipo de tratamientos son precisos llevar a cabo en cada momentoIn the current framework of climate change, the Mediterranean Basin fire regime is being modified. In the southeast of the Iberian Peninsula, Pinus halepensis is the principal tree species of forest stands. A revision of the post-fire Aleppo pine stands evolution has been performed, showing different behaviours in its natural regeneration. Regeneration is not always guaranteed, promoting whether a large regeneration or an absence of it requiring forest restoration. Both cases need monitoring in the short, medium and long term, in order to improve its post-fire management, and therefore assess which treatments are suitable to carry out at each time

Efecto de distintas fertilizaciones de fósforo en la resistencia de brinzales de encina y alcornoque a Phytophthora cinnamomi Rands.

The oomycete Phytophthora cinnamomi Rands is the mean responsible for oak decline in southern Spain. This paper investigates the relationship between phosphoric fertilization of Quercus ilex and Q. suber seedlings and resistance to the disease caused by Phytophthora cinnamomi. The study was conducted on holm oak and cork oak seedlings previously submitted to a phosphoric fertilization programme involving four different treatments, namely: Phosphate-A (3 mg P2O5 seedling), Phosphate-B (6 mg P2O5 seedling), Phosphite (0.15 mg de P2O5 seedling) and No Fertilization. Tests were conducted in greenhouse over a period of 7 months and a number of treatments to plants inoculated with Phytophthora cinnamomi Rands. were applied, assessing the changes in their morphological (viz. height, root and collar diameter, and secondary root biomass) and physiological characteristics (viz. leaf nutrient contents). Based on the results, phosphate failed to improve plant resistance to P. cinnamomi; by contrast, phosphite successfully avoided infection by this pathogen. In fact, the phosphitetreated plants exhibited a morphological and physiological status similar to or even better than that of the non-inoculated controls. The protective effect of phosphite against P. cinnamomi can be achieved by applying it during seedling cultivation in nurseries.El factor de contribución más virulento en el proceso de decaimiento forestal en el sur de la península ibérica es el Oomiceto Phytophthora cinnamomi Rands. Recientes investigaciones avalan el uso de fertilizaciones fosfóricas y fosfitos como fungicida contra Phytophthora cinnamomi. El objetivo general de este trabajo es estudiar el efecto de la fertilización fosfórica en brinzales de Quercus ilex y Q. suber sobre la resistencia a la podredumbre radical producida por P. cinnamomi. Se realizó un ensayo con brinzales de encina y alcornoque que previamente habían sido cultivados con un programa de fertilización fosfórica, dando lugar a cuatro tratamientos: Fosfato-A (3 mg P2O5 por planta), Fosfato-B (6 mg de P2O5 por planta), Fosfito (0,15 mg de P2O5 por planta) y no fertilizado. El ensayo se realizó en invernadero y tuvo una duración de 7 meses. Consistió en inocular las plantas de los distintos tratamientos con Phytophthora cinnamomi Rands. y estudiar la evolución de sus atributos morfológicos (altura, diámetro del cuello de la raíz y biomasa de raíz secundaria) y fisiológicos (contenido foliar de nutrientes). Los resultados mostraron que la fertilización con fosfatos no había mejorado la resistencia a la podredumbre radical causada por P. cinnamomi, mientras que el fosfito logró controlar totalmente la infección del patógeno, dando resultados negativos el reaislamiento de la especie fúngica inoculada en este tratamiento. Las plantas tratadas con fosfito presentaron un estado morfológico y fisiológico igual, y en algunos aspectos mejor, que el Control no inoculado. Se puede concluir que sería posible lograr una acción protectora frente a P. cinnamomi mediante el tratamiento con fosfitos durante el cultivo en vivero

Janus Gold Nanostars-Mesoporous Silica Nanoparticles for NIR-Light-Triggered Drug Delivery

"This is the peer reviewed version of the following article: Hernández Montoto, Andy, Antoni Llopis-Lorente, Mónica Gorbe, José M. Terrés, Roberto Cao Milán, Borja Díaz de Greñu, María Alfonso, et al. 2019. Janus Gold Nanostars Mesoporous Silica Nanoparticles for NIR-Light-Triggered Drug Delivery. Chemistry A European Journal 25 (36). Wiley: 8471 78. doi:10.1002/chem.201900750, which has been published in final form at https://doi.org/10.1002/chem.201900750. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving."[EN] Janus gold nanostar-mesoporous silica nanoparticle (AuNSt-MSNP) nanodevices able to release an entrapped payload upon irradiation with near infrared (NIR) light were prepared and characterized. The AuNSt surface was functionalized with a thiolated photolabile molecule (5), whereas the mesoporous silica face was loaded with a model drug (doxorubicin) and capped with proton-responsive benzimidazole-beta-cyclodextrin supramolecular gatekeepers (N 1). Upon irradiation with NIR-light, the photolabile compound 5 photodissociated, resulting in the formation of succinic acid, which induced the opening of the gatekeeper and cargo delivery. In the overall mechanism, the gold surface acts as a photochemical transducer capable of transforming the NIR-light input into a chemical messenger (succinic acid) that opens the supramolecular nanovalve. The prepared hybrid nanoparticles were non-cytotoxic to HeLa cells, until they were irradiated with a NIR laser, which led to intracellular doxorubicin release and hyperthermia. This induced a remarkable reduction in HeLa cells viability.The authors gratefully acknowledge financial support from the Spanish Government [Projects MAT2015-64139-C4-1-R, AGL2015-70235-C2-2-R and SAF2017-84689-R (MINECO/AEI/FEDER, UE)], the Generalitat Valenciana (Project PROMETEO2018/024) and European Union (Erasmus Mundus Programme, Action 2, grant agreement number 2014-0870/001001). A.H. thanks the Erasmus Mundus Programme for his PhD scholarship through the EuroInkaNet project. A.L.-L. thanks "La Caixa" Banking Foundation for his PhD scholarship.Hernández-Montoto, A.; Llopis-Lorente, A.; Gorbe, M.; Terrés-Haro, JM.; Cao Milán, R.; Díaz De Greñu-Puertas, B.; Alfonso-Navarro, M.... (2019). Janus Gold Nanostars-Mesoporous Silica Nanoparticles for NIR-Light-Triggered Drug Delivery. Chemistry - A European Journal. 25(36):8471-8478. https://doi.org/10.1002/chem.201900750S847184782536Yang, P., Gai, S., & Lin, J. (2012). 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Interactive models of communication at the nanoscale using nanoparticles that talk to one another. Nature Communications, 8(1). doi:10.1038/ncomms15511Song, N., & Yang, Y.-W. (2015). Molecular and supramolecular switches on mesoporous silica nanoparticles. Chemical Society Reviews, 44(11), 3474-3504. doi:10.1039/c5cs00243eAznar, E., Oroval, M., Pascual, L., Murguía, J. R., Martínez-Máñez, R., & Sancenón, F. (2016). Gated Materials for On-Command Release of Guest Molecules. Chemical Reviews, 116(2), 561-718. doi:10.1021/acs.chemrev.5b00456Koutsopoulos, S. (2012). Molecular fabrications of smart nanobiomaterials and applications in personalized medicine. Advanced Drug Delivery Reviews, 64(13), 1459-1476. doi:10.1016/j.addr.2012.08.002Bao, G., Mitragotri, S., & Tong, S. (2013). Multifunctional Nanoparticles for Drug Delivery and Molecular Imaging. Annual Review of Biomedical Engineering, 15(1), 253-282. doi:10.1146/annurev-bioeng-071812-152409Hernández Montoto, A., Montes, R., Samadi, A., Gorbe, M., Terrés, J. M., Cao-Milán, R., … Martínez-Máñez, R. (2018). Gold Nanostars Coated with Mesoporous Silica Are Effective and Nontoxic Photothermal Agents Capable of Gate Keeping and Laser-Induced Drug Release. ACS Applied Materials & Interfaces, 10(33), 27644-27656. doi:10.1021/acsami.8b08395De la Torre, C., Domínguez-Berrocal, L., Murguía, J. R., Marcos, M. D., Martínez-Máñez, R., Bravo, J., & Sancenón, F. (2018). ϵ -Polylysine-Capped Mesoporous Silica Nanoparticles as Carrier of the C 9h Peptide to Induce Apoptosis in Cancer Cells. Chemistry - A European Journal, 24(8), 1890-1897. doi:10.1002/chem.201704161Teruel, A. H., Pérez-Esteve, É., González-Álvarez, I., González-Álvarez, M., Costero, A. M., Ferri, D., … Sancenón, F. (2018). 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Garantismo y crisis de la justicia

Esta obra representa una importante reflexión teórica producto de la labor investigativa de sus autores, en torno a uno de los problemas de mayor actualidad en la sociedad contemporánea, cual es, la tensión permanente que se presenta entre la necesidad que tiene el Estado de garantizar un orden o control social y al mismo tiempo, la exigencia actual de la garantía y protección de los derechos fundamentales

Effectiveness of telephone monitoring in primary care to detect pneumonia and associated risk factors in patients with SARS-CoV-2

Improved technology facilitates the acceptance of telemedicine. The aim was to analyze the effectiveness of telephone follow-up to detect severe SARS-CoV-2 cases that progressed to pneumonia. A prospective cohort study with 2-week telephone follow-up was carried out March 1 to May 4, 2020, in a primary healthcare center in Barcelona. Individuals aged =15 years with symptoms of SARS-CoV-2 were included. Outpatients with non-severe disease were called on days 2, 4, 7, 10 and 14 after diagnosis; patients with risk factors for pneumonia received daily calls through day 5 and then the regularly scheduled calls. Patients hospitalized due to pneumonia received calls on days 1, 3, 7 and 14 post-discharge. Of the 453 included patients, 435 (96%) were first attended to at a primary healthcare center. The 14-day follow-up was completed in 430 patients (99%), with 1798 calls performed. Of the 99 cases of pneumonia detected (incidence rate 20.8%), one-third appeared 7 to 10 days after onset of SARS-CoV-2 symptoms. Ten deaths due to pneumonia were recorded. Telephone follow-up by a primary healthcare center was effective to detect SARS-CoV-2 pneumonias and to monitor related complications. Thus, telephone appointments between a patient and their health care practitioner benefit both health outcomes and convenience. © 2021 by the authors. Licensee MDPI, Basel, Switzerland

Splitting or lumping? A conservation dilemma exemplified by the critically endangered Dama Gazelle (Nanger dama)

Managers of threatened species often face the dilemma of whether to keep populations separate to conserve local adaptations and minimize the risk of outbreeding, or whether to manage populations jointly to reduce loss of genetic diversity and minimise inbreeding. In this study we examine genetic relatedness and diversity in three of the five last remaining wild populations of dama gazelle and a number of captive populations, using mtDNA control region and cytochrome b data. Despite the sampled populations belonging to the three putative subspecies, which are delineated according to phenotypes and geographical location, we find limited evidence for phylogeographical structure within the data and no genetic support for the putative subspecies. In the light of these data we discuss the relevance of inbreeding depression, outbreeding depression, adaptive variation, genetic drift, and phenotypic variation to the conservation of the dama gazelle and make some recommendations for its future conservation management. The genetic data suggest that the best conservation approach is to view the dama gazelle as a single species without subspecific divisions

Latin American Consensus: Children Born Small for Gestational Age

72-87Cuatrimestra