Effects of bonding type and interface geometry on coherent transport through the single-molecule magnet Mn12

We examine theoretically coherent electron transport through the single-molecule magnet Mn$_{12}$, bridged between Au(111) electrodes, using the non-equilibrium Green's function method and the density-functional theory. We analyze the effects of bonding type, molecular orientation, and geometry relaxation on the electronic properties and charge and spin transport across the single-molecule junction. We consider nine interface geometries leading to five bonding mechanisms and two molecular orientations: (i) Au-C bonding, (ii) Au-Au bonding, (iii) Au-S bonding, (iv) Au-H bonding, and (v) physisorption via van der Waals forces. The two molecular orientations of Mn$_{12}$ correspond to the magnetic easy axis of the molecule aligned perpendicular [hereafter denoted as orientation (1)] or parallel [orientation (2)] to the direction of electron transport. We find that the electron transport is carried by the lowest unoccupied molecular orbital (LUMO) level in all the cases that we have simulated. Relaxation of the junction geometries mainly shifts the relevant occupied molecular levels toward the Fermi energy as well as slightly reduces the broadening of the LUMO level. As a result, the current slightly decreases at low bias voltage. Our calculations also show that placing the molecule in the orientation (1) broadens the LUMO level much more than in the orientation (2), due to the internal structure of the Mn$_{12}$. Consequently, junctions with the former orientation yield a higher current than those with the latter. Among all of the bonding types considered, the Au-C bonding gives rise to the highest current (about one order of magnitude higher than the Au-S bonding), for a given distance between the electrodes. The current through the junction with other bonding types decreases in the order of Au-Au, Au-S, and Au-H. Importantly, the spin-filtering effect in all the nine geometries stays robust and their ratios of the majority-spin to the minority-spin transmission coefficients are in the range of 10$^3$ to 10$^8$. The general trend in transport among the different bonding types and molecular orientations obtained from this study may be applied to other single-molecular magnets.Comment: Accepted for publication in Phys. Rev. B

On the exposure to mobile phone radiation in trains

This report presents theoretical estimates of the Power Density levels which may be reached inside trains. Two possible sources of high levels of radiation are discussed. The first one arises since the walls of the wagons are metallic and therefore bounce back almost all radiation impinging on them. The second is due to the simultaneous emission of a seemingly large number of nearby telephones. The theoretical study presented here shows that Power Densities stay at values below reference levels always.Comment: 9 pages, 1 figur

Spontaneous symmetry breaking as a resource for noncritically squeezed light

In the last years we have proposed the use of the mechanism of spontaneous symmetry breaking with the purpose of generating perfect quadrature squeezing. Here we review previous work dealing with spatial (translational and rotational) symmetries, both on optical parametric oscillators and four-wave mixing cavities, as well as present new results. We then extend the phenomenon to the polarization state of the signal field, hence introducing spontaneous polarization symmetry breaking. Finally we propose a Jaynes-Cummings model in which the phenomenon can be investigated at the single-photon-pair level in a non-dissipative case, with the purpose of understanding it from a most fundamental point of view.Comment: Review for the proceedings of SPIE Photonics Europe. 11 pages, 5 figures

Responsive and Minimalist App Based on Explainable AI to Assess Palliative Care Needs during Bedside Consultations on Older Patients

[EN] Palliative care is an alternative to standard care for gravely ill patients that has demonstrated many clinical benefits in cost-effective interventions. It is expected to grow in demand soon, so it is necessary to detect those patients who may benefit from these programs using a personalised objective criterion at the correct time. Our goal was to develop a responsive and minimalist web application embedding a 1-year mortality explainable predictive model to assess palliative care at bedside consultation. A 1-year mortality predictive model has been trained. We ranked the input variables and evaluated models with an increasing number of variables. We selected the model with the seven most relevant variables. Finally, we created a responsive, minimalist and explainable app to support bedside decision making for older palliative care. The selected variables are age, medication, Charlson, Barthel, urea, RDW-SD and metastatic tumour. The predictive model achieved an AUC ROC of 0.83 [CI: 0.82, 0.84]. A Shapley value graph was used for explainability. The app allows identifying patients in need of palliative care using the bad prognosis criterion, which can be a useful, easy and quick tool to support healthcare professionals in obtaining a fast recommendation in order to allocate health resources efficiently.This work was supported by the InAdvance project (H2020-SC1-BHC-2018-2020 grant agreement number 825750.) and the CANCERLEss project (H2020-SC1-2020-Single-Stage-RTD grant agreement number 965351), both funded by the European Union's Horizon 2020 research and innovation programme.Blanes-Selva, V.; Doñate-Martínez, A.; Linklater, G.; Garcés-Ferrer, J.; Garcia-Gomez, JM. (2021). Responsive and Minimalist App Based on Explainable AI to Assess Palliative Care Needs during Bedside Consultations on Older Patients. Sustainability. 13(17):1-11. https://doi.org/10.3390/su13179844111131

Vacunación antigripal en estudiantes de medicina y enfermería en la era covid-19: ¿cómo mejorarla?

Background: Influenza vaccination coverages among health care students are low. The aim of this study was to find out which measures, according to medical and nursing students, could contribute to improve these vaccination rates. Methods: A cross-sectional study that included medical and nursing students of the University of Zaragoza who were doing internships in health centers during the 2020-2021 school year. The information was obtained in December 2020 by a self-administered online questionnaire, in which they were asked to describe the measures that, in their opinion, are necessary to increase their influenza vaccination coverage. A qualitative analysis of the content of the answers was carried out, extracting themes, sub-themes and selecting the most representative verbatims. Results: The questionnaire was answered by 83 students (response rate: 5.9%); 64 (77.1%) were women, and 74.7% of them were studying medicine. The main measures proposed were improving the accessibility of the vaccine, improving the training on influenza vaccine, promoting vaccination by the teaching staff, and increasing the diffusion of information about the vaccination campaign. Conclusions: This study has found measures to be applied specifically to medical and nursing students to potentially improve their influenza vaccination coverage. For its implementation, collaboration between universities and health services is necessary. Fundamentos: Las coberturas de vacunación antigripal en estudiantes sanitarios son bajas. El objetivo de este estudio fue conocer las medidas que, según los estudiantes de medicina y enfermería, podrían contribuir a mejorar dichas tasas de vacunación. Métodos: Estudio transversal que incluyó a los alumnos de medicina y enfermería de la Universidad de Zaragoza que realizaban prácticas en centros sanitarios durante el curso académico 2020-2021. La información se obtuvo en diciembre 2020 utilizando un cuestionario on line auto-cumplimentado, en el que se solicitaba que describieran las medidas que, en su opinión, son necesarias para incrementar sus coberturas de vacunación antigripal. Se realizó un análisis cualitativo del contenido de las respuestas, extrayendo temas, subtemas y seleccionando los verbatims más representativos. Resultados: 83 estudiantes respondieron el cuestionario (tasa de respuesta: 5,9%); 64 (77,1%) eran mujeres, cursando medicina el 74,7%. Las principales medidas propuestas estaban relacionadas con mejorar la accesibilidad de la vacuna, mejorar la formación sobre la vacuna antigripal, promover la vacunación por parte del personal docente y aumentar la difusión de la información sobre la campaña devacunación. Conclusiones: Este estudio ha identificado medidas a aplicar específicamente en los estudiantes de medicina y enfermería con las que potencialmente mejorar sus coberturas de vacunación antigripal. Para su implementación, es necesaria la colaboración entre las universidades y los servicios de salud. Palabras clave: Estudiantes de medicina, Estudiantes de enfermería, Vacuna antigripal, Cobertura de vacunación, COVID-19, Españ

The value of satellite remote sensing soil moisture data and the DISPATCH algorithm in irrigation fields

Soil moisture measurements are needed in a large number of applications such as hydro-climate approaches, watershed water balance management and irrigation scheduling. Nowadays, different kinds of methodologies exist for measuring soil moisture. Direct methods based on gravimetric sampling or time domain reflectometry (TDR) techniques measure soil moisture in a small volume of soil at few particular locations. This typically gives a poor description of the spatial distribution of soil moisture in relatively large agriculture fields. Remote sensing of soil moisture provides widespread coverage and can overcome this problem but suffers from other problems stemming from its low spatial resolution. In this context, the DISaggregation based on Physical And Theoretical scale CHange (DISPATCH) algorithm has been proposed in the literature to downscale soil moisture satellite data from 40 to 1&thinsp;km resolution by combining the low-resolution Soil Moisture Ocean Salinity (SMOS) satellite soil moisture data with the high-resolution Normalized Difference Vegetation Index (NDVI) and land surface temperature (LST) datasets obtained from a Moderate Resolution Imaging Spectroradiometer (MODIS) sensor. In this work, DISPATCH estimations are compared with soil moisture sensors and gravimetric measurements to validate the DISPATCH algorithm in an agricultural field during two different hydrologic scenarios: wet conditions driven by rainfall events and wet conditions driven by local sprinkler irrigation. Results show that the DISPATCH algorithm provides appropriate soil moisture estimates during general rainfall events but not when sprinkler irrigation generates occasional heterogeneity. In order to explain these differences, we have examined the spatial variability scales of NDVI and LST data, which are the input variables involved in the downscaling process. Sample variograms show that the spatial scales associated with the NDVI and LST properties are too large to represent the variations of the average soil moisture at the site, and this could be a reason why the DISPATCH algorithm does not work properly in this field site.</p

Aging-associated symptoms in the physician-patient dialogue in a group of long-term diagnosed HIV-infected individuals

Background: The significant decrease in mortality has resulted in a large number of individuals aged over 50 living with HIV infection. Additionally, the coexistence of certain pathologies suggests premature aging. In this scenario, the presence of aging-associated symptoms in the physician-patient dialogue is yet to be explored. Methods: Cross-sectional observational study to evaluate the presence of aging-associated symptoms in the physician-patient dialogue and to explore the possible differences between genders in a sample of 100 HIV-1 infected subjects diagnosed at least 15 years ago. The survey assessed questions/comments made by the patient, questions/comments made by the physician and patients&#x2019; interest in obtaining more information than was provided. Number of patients and percentages were given and compared using the w2 or Fisher exact test (as appropriate). Results: Participants were 60 men and 40 women, diagnosed with HIV infection a median (IQ) of 18 (15.7&#x2013;21) years ago, who had a nadir CD4 and CD4 cell count at the study entry of 172 (95&#x2013;272) and 543 (403&#x2013;677), respectively. Eighty percent of the subjects had VL &#x3C;25 copies and 42% were HCV/HIV co-infected (31 subjects with low fibrosis stage). The infection route had been mainly intravenous drug use (37%) and MSM (32%). Men and women had similar demographic and clinical characteristics. Sixty-two percent of the participants acknowledged asking their physicians about aging-associated symptoms (58% men vs 66% women; p=0.50), 48% reported that their physicians had provided information without having been asked (48% men vs 55% women; p=0.51) and 75% confirmed that they would like to have more information about aging-associated symptoms (22% men vs 80% women; p&#x3C;0.001). Conclusions: Around half of the men and women interviewed had discussed aging-associated symptoms with their physician. However, this seemed insufficient for four-fifths of the women, who would have liked to have obtained more information about aging

Lung CD57+ cell density is increased in very severe COPD

Among all inflammatory cells involved in COPD, those with a cytolytic or elastolytic activity are thought to play a key role in the pathogenesis of the disease. However, there is no data about the infiltration of cells expressing the CD57 marker in small airways and parenchyma of COPD patients. In this study, surgical specimens from 43 subjects undergoing lung resection due to lung cancer (9 non-smokers, 18 smokers without COPD and 16 smokers with moderate COPD) and 16 patients undergoing double lung transplantation for very severe COPD were examined. CD57+ cells, neutrophils, macrophages and mast cells infiltrating bronchioles (epithelium, smooth muscle and connective tissue) and parenchymal interstitium were localized and quantified by immunohistochemical analysis. Compared to the other groups, the small airways of very severe COPD patients showed a significantly higher density of CD57+ cells, mainly infiltrated in the connective tissue (p=0.001), and a significantly higher density of neutrophils located characteristically in the epithelium (p=0.037). Also, the density of neutrophils was significantly higher in parenchyma of very severe COPD patients compared with the rest of the groups (p=0.001). Finally, there were significant correlations between the bronchiolar density of CD57+ cells and the FEV1 values (R=-0.43, p=0.022), as well as between the parenchymal density of neutrophils and macroscopic emphysema degree (R=0.43, p=0.048) in COPD groups. These results show that CD57+ cells may be involved in COPD pathogenesis, especially in the most severe stages of the disease