Accurate nonrelativistic ground-state energies of 3d transition metal atoms

We present accurate nonrelativistic ground-state energies of the transition metal atoms of the 3d series calculated with Fixed-Node Diffusion Monte Carlo (FN-DMC). Selected multi-determinantal expansions obtained with the CIPSI method (Configuration Interaction using a Perturbative Selection made Iteratively) and including the most prominent determinants of the full CI expansion are used as trial wavefunctions. Using a maximum of a few tens of thousands determinants, fixed-node errors on total DMC energies are found to be greatly reduced for some atoms with respect to those obtained with Hartree-Fock nodes. The FN-DMC/(CIPSI nodes) ground-state energies presented here are, to the best of our knowledge, the most accurate values reported so far. Thanks to the variational property of FN-DMC total energies, the results also provide lower bounds for the absolute value of all-electron correlation energies, $|E_c|$.Comment: 5 pages, 3 table

Complement factor h-antibody-associated hemolytic uremic syndrome: pathogenesis, clinical presentation, and treatment.

The presence of circulating autoantibodies, primarily to complement factor H antibodies (CFH-Abs) in plasma characterizes the autoimmune form of atypical hemolytic uremic syndrome (aHUS). This acquired form of aHUS defines a distinct subgroup of aHUS patients, which requires diagnostic and treatment approaches in part different from those of the genetically defined forms. The mechanisms leading to CFH-Ab production and disease onset are not completely understood, but CFH-Ab HUS seems to be secondary to a combination of genetic predisposition and environmental factors. Early diagnosis of this specific aHUS entity is important, as prompt induction of plasma exchange and concomitant immunosuppression leads to a favorable outcome. Nevertheless, information on clinical features and outcome in children is limited. Here, we review the literature on the biological and clinical features of CFH-Ab HUS and discuss therapeutic options

Resonant hyper-Raman scattering in spherical quantum dots

A theoretical model of resonant hyper-Raman scattering by an ensemble of spherical semiconductor quantum dots has been developed. The electronic intermediate states are described as Wannier-Mott excitons in the framework of the envelope function approximation. The optical polar vibrational modes of the nanocrystallites (vibrons) and their interaction with the electronic system are analized with the help of a continuum model satisfying both the mechanical and electrostatic matching conditions at the interface. An explicit expression for the hyper-Raman scattering efficiency is derived, which is valid for incident two-photon energy close to the exciton resonances. The dipole selection rules for optical transitions and Fr\"ohlich-like exciton-lattice interaction are derived: It is shown that only exciton states with total angular momentum $L=0,1$ and vibrational modes with angular momentum $l_p=1$ contribute to the hyper-Raman scattering process. The associated exciton energies, wavefunctions, and vibron frequencies have been obtained for spherical CdSe zincblende-type nanocrystals, and the corresponding hyper-Raman scattering spectrum and resonance profile are calculated. Their dependence on the dot radius and the influence of the size distribution on them are also discussed.Comment: 12 pages REVTeX (two columns), 2 tables, 8 figure

The unfolded protein response and its potential role in Huntington's disease elucidated by a systems biology approach.

Huntington ´s disease (HD) is a progressive, neurodegenerative disease with a fatal outcome. Although the disease-causing gene (huntingtin) has been known for over 20 years, the exact mechanisms leading to neuronal cell death are still controversial. One potential mechanism contributing to the massive loss of neurons observed in the brain of HD patients could be the unfolded protein response (UPR) activated by accumulation of misfolded proteins in the endoplasmic reticulum (ER). As an adaptive response to counter-balance accumulation of un- or misfolded proteins, the UPR upregulates transcription of chaperones, temporarily attenuates new translation, and activates protein degradation via the proteasome. However, persistent ER stress and an activated UPR can also cause apoptotic cell death. Although different studies have indicated a role for the UPR in HD, the evidence remains inconclusive. Here, we present extensive bioinformatic analyses that revealed UPR activation in different experimental HD models based on transcriptomic data. Accordingly, we have identified 53 genes, including RAB5A, HMGB1, CTNNB1, DNM1, TUBB, TSG101, EEF2, DYNC1H1, SLC12A5, ATG5, AKT1, CASP7 and SYVN1 that provide a potential link between UPR and HD. To further elucidate the potential role of UPR as a disease-relevant process, we examined its connection to apoptosis based on molecular interaction data, and identified a set of 40 genes including ADD1, HSP90B1, IKBKB, IKBKG, RPS3A and LMNB1, which seem to be at the crossroads between these two important cellular processes. Remarkably, we also found strong correlation of UPR gene expression with the length of the polyglutamine tract of Huntingtin, which is a critical determinant of age of disease onset in human HD patients pointing to the UPR as a promising target for therapeutic intervention. The study is complemented by a newly developed web-portal called UPR-HD (http://uprhd.sysbiolab.eu) that enables visualization and interactive analysis of UPR-associated gene expression across various HD models

Dietary supplementation of heat-treated Gracilaria and Ulva seaweeds enhanced acute hypoxia tolerance in gilthead sea bream (Sparus aurata)

Intensive aquaculture practices involve rearing fish at high densities. In these conditions, fish may be exposed to suboptimal dissolved O2 levels with an increased formation of reactive O2 species (ROS) in tissues. Seaweeds (SW) contain biologically active substances with efficient antioxidant capacities. This study evaluated the effects of dietary supplementation of heat-treated SW (5% Gracilaria vermiculophylla or 5% Ulva lactuca) on stress bioindicators in sea bream subjected to a hypoxic challenge. 168 fish (104.5 g average weight) were distributed in 24 tanks, in which eight tanks were fed one of three experimental diets for 34 days: (i) a control diet without SW supplementation, (ii) a control diet supplemented with Ulva, or (iii) a control diet with Gracilaria. Thereafter, fish from 12 tanks (n=4 tanks/dietary treatment) were subjected to 24 h hypoxia (1.3 mg O2 l-1) and subsequent recovery normoxia (8.6 mg O2 l-1). Hypoxic fish showed an increase in hematocrit values regardless of dietary treatment. Dietary modulation of the O2-carrying capacity was conspicuous during recovery, as fish fed SW supplemented diets displayed significantly higher haemoglobin concentration than fish fed the control diet. After the challenge, survival rates in both groups of fish fed SW were higher, which was consistent with a decrease in hepatic lipid peroxidation in these groups. Furthermore, the hepatic antioxidant enzyme activities were modulated differently by changes in environmental O2 condition, particularly in sea bream fed the Gracilaria diet. After being subjected to hypoxia, the gene expression of antioxidant enzymes and molecular chaperones in liver and heart were down regulated in sea bream fed SW diets. This study suggests that the antioxidant properties of heat-treated SW may have a protective role against oxidative stress. The nature of these compounds and possible mechanisms implied are currently being investigated.Fil: Magnoni, Leonardo Julián. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús). Universidad Nacional de San Martín. Instituto de Investigaciones Biotecnológicas. Instituto de Investigaciones Biotecnológicas "Dr. Raúl Alfonsín" (sede Chascomús); Argentina. Universidad de Porto; PortugalFil: Martos Sitcha, Juan Antonio. Consejo Superior de Investigaciones Científicas; EspañaFil: Queiroz, Augusto. Universidad de Porto; PortugalFil: Calduch Giner, Josep Alvar. Consejo Superior de Investigaciones Científicas; EspañaFil: Magalhaes Gonçalves, Jose Fernando. Universidad de Porto; PortugalFil: Rocha, Cristina M.R.. Universidad de Porto; PortugalFil: Abreu, Helena T.. ALGAplus; PortugalFil: Schrama, Johan W.. Wageningen University; Países BajosFil: Ozorio, Rodrigo O.A.. Universidad de Porto; PortugalFil: Perez Sanchez, Jaume. Consejo Superior de Investigaciones Científicas; Españ

Active methodologies for deep learning in sustainable development goals

[EN] The general objective of this project was to improve the quality of student learning, from the point of view of a global objective, sustainable development, and therefore aligned with the SDGs (Sustainable Development Goals). It is intended that students achieve deep learning in this area, favouring the transfer of the knowledge acquired to their future professional and social life. This deep learning promotes the integral development of the student, not only from an academic point of view, but also social and ecological. Project Based Learning (PBL), as an active learning methodology, is being widely used as a deep learning strategy. In this project, it has been used in several subjects, from different degrees, schools, and campus. The learning strategies have been evaluated by means of a learning evaluation questionnaire (CEVEAPEU) before and after the application of the PBL. In addition, student satisfaction and generic skills (i.e. ethical, environmental and professional responsibility) have been assessed. The project aims to find a solution a specific real case, such as an environmental or social problem. The results show that PBL has favoured the cooperative work of students and has increased their motivation. The students could select the topics that interest them the most and that they consider important in their professional future. They have worked collaboratively and actively, planning the project, making decisions, implementing it, and evaluating it. The students have ¿acted¿ and the teachers have been advisors or guides, thus promoting intrinsic motivation. This active methodology has allowed students to learn in a collaborative and cooperative way, fostering their motivation and achieving deep learning in environmental aspects.The project of innovation and educational improvement in which this communication is framed has received financial support from the Institute of Education Sciences (ICE) of the Universitat Politècnica de València (UPV) Proyecto de Innovación y Mejora Educativa (PIME/19-20/174 ), Objetivo Agenda 2030 y UPV 2020: Aprendizaje ambiental profundo en la UPV.Romero Gil, I.; Paches Giner, MAV.; Sebastiá-Frasquet, M.; Hernández Crespo, C. (2021). Active methodologies for deep learning in sustainable development goals. IATED Academy. 5506-5513. https://doi.org/10.21125/inted.2021.1115S5506551

Denying humanness to victims: How gang members justify violent behavior

The high prevalence of violent offending amongst gang-involved youth has been established in the literature. Yet the underlying psychological mechanisms that enable youth to engage in such acts of violence remain unclear. 189 young people were recruited from areas in London, UK, known for their gang activity. We found that gang members, in comparison to non-gang youth, described the groups they belong to as having recognized leaders, specific rules and codes, initiation rituals, and special clothing. Gang members were also more likely than non-gang youth to engage in violent behavior and endorse moral disengagement strategies (i.e., moral justification, euphemistic language, advantageous comparison, displacement of responsibility, attribution of blame, and dehumanization). Finally, we found that dehumanizing victims partially mediated the relationship between gang membership and violent behavior. These findings highlight the effects of groups at the individual level and an underlying psychological mechanism that explains, in part, how gang members engage in violence

Soluciones catastrales de bajo costo.

La elaboración de la obra catastral,  presupone una fuerte inversión  para poder realizarla. Estas limitaciones  hacen que las distintas organizaciones sacrifiquen la actualización de sus datos.  A lo largo del desarrollo del programa, se ha conseguido implementar algunas soluciones, que sin ser de una rigurosidad técnica completa, presenta alternativas y métodos de trabajo que permiten utilizar herramientas de muy bajo costo para la consecución de ciertos objetivos catastrales en aquellas instituciones que sin contar con presupuesto deben mantener actualizados sus registros.El desarrollo del programa apunta a la optimización de los distintos recursos que se encuentran dispersos, de manera de poder ensamblarlos con distintas herramientas, y poder llevar adelante en forma satisfactoria las actividades mas importantes que en materia de actualización, algunas instituciones catastrales requieren para su normal desenvolvimiento.Estas herramientas nos proveen la posibilidad de utilizar estos datos espaciales de manera adecuada para las necesidades que se deben cubrir, con escaso margen de precisión, pero con buenos resultados a la hora de cumplir con lo programado por cada una de estas instituciones

Enhanced error estimator based on a nearly equilibrated moving least squares recovery technique for FEM and XFEM

In this paper a new technique aimed to obtain accurate estimates of the error in energy norm using a moving least squares (MLS) recovery-based procedure is presented. We explore the capabilities of a recovery technique based on an enhanced MLS fitting, which directly provides continuous interpolated fields, to obtain estimates of the error in energy norm as an alternative to the superconvergent patch recovery (SPR). Boundary equilibrium is enforced using a nearest point approach that modifies the MLS functional. Lagrange multipliers are used to impose a nearly exact satisfaction of the internal equilibrium equation. The numerical results show the high accuracy of the proposed error estimator