Enhancements to the GW space-time method

We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117, 211 (1999)) for the calculation of self-energies and related quantities of solids: (i) to fit the smoothly decaying time/energy tails of the dynamically screened Coulomb interaction and other quantities to model functions, treating only the remaining time/energy region close to zero numerically and performing the Fourier transformation from time to energy and vice versa by a combination of analytic integration of the tails and Gauss-Legendre quadrature of the remaining part and (ii) to accelerate the convergence of the band sum in the calculation of the Green's function by replacing higher unoccupied eigenstates by free electron states (plane waves). These improvements make the calculation of larger systems (surfaces, clusters, defects etc.) accessible.Comment: 10 pages, 6 figure

Reliability-based dynamical design of a singular structure for use in High Energy Physics experiments

[EN] The present work presents a comprehensive design and dynamic calculation of singular metallic structures, part of the Neutrino Experiment NEXT. The experiment uses an electroluminescent TPC chamber, a high-pressure 136Xe gas vessel enclosing the detector. A lead-block "castle'' or containing box shields this vessel against external g-rays from all directions; in spite of its heavy weight, the castle must be regularly open for the detector maintenance. Since the structures will be constructed at a middle-level seismic localization (Laboratorio Subterraneo Canfranc, Spain), the earthquake hazard must be taken into account. Vessel and castle are supported by a rigid frame, which must satisfy two requirements: (i) the Spanish seismic standard, (ii) for equipment protection, the detector maximum horizontal acceleration must be < 1 [m/s(2)]. This frame rests on special base isolators to decrease horizontal accelerations in case of an earthquake. Three dynamical calculations are conducted: (i) a response spectrum analysis to comply with the standard, (ii) five time-history analyses to calculate tolerances and, (iii) a reliability-based approach using 1000 timehistory responses to ensure satisfaction of the operating requirements. The final outcome is the design of a singular structure optimized for the NEXT experiment with a probability of failure against any standard earthquake of only 0.125%. (C) 2017 Politechnika Wroclawska. Published by Elsevier Sp. z o.o. All rights reserved.This research was supported by the grants CSD2008-00037 Canfranc Underground Physics.Palma, R.; Torrent, J.; Pérez-Aparicio, JL.; Ripoll, L. (2018). Reliability-based dynamical design of a singular structure for use in High Energy Physics experiments. Archives of Civil and Mechanical Engineering. 18(1):256-266. https://doi.org/10.1016/j.acme.2017.07.00325626618

Towards a clinical staging for bipolar disorder: defining patient subtypes based on functional outcome.

BACKGROUND: The functional outcome of Bipolar Disorder (BD) is highly variable. This variability has been attributed to multiple demographic, clinical and cognitive factors. The critical next step is to identify combinations of predictors that can be used to specify prognostic subtypes, thus providing a basis for a staging classification in BD. METHODS: Latent Class Analysis was applied to multiple predictors of functional outcome in a sample of 106 remitted adults with BD. RESULTS: We identified two subtypes of patients presenting "good" (n=50; 47.6%) and "poor" (n=56; 52.4%) outcome. Episode density, level of residual depressive symptoms, estimated verbal intelligence and inhibitory control emerged as the most significant predictors of subtype membership at the p<0.05 level. Their odds ratio (OR) and confidence interval (CI) with reference to the "good" outcome group were: episode density (OR=4.622, CI 1.592-13.418), level of residual depressive symptoms (OR=1.543, CI 1.210-1.969), estimated verbal intelligence (OR=0.969; CI 0.945-0.995), and inhibitory control (OR=0.771, CI 0.656-0.907). Age, age of onset and duration of illness were comparable between prognostic groups. LIMITATIONS: The longitudinal stability or evolution of the subtypes was not tested. CONCLUSIONS: Our findings provide the first empirically derived staging classification of BD based on two underlying dimensions, one for illness severity and another for cognitive function. This approach can be further developed by expanding the dimensions included and testing the reproducibility and prospective prognostic value of the emerging classes. Developing a disease staging system for BD will allow individualised treatment planning for patients and selection of more homogeneous patient groups for research purposes

Understanding the Effects of a Tannin Extract on Forage Protein Digestion in the Rumen and Abomasum Using a Dynamic Artificial Digestive System Coupled to a Digestomic Approach

Improving the use efficiency of dietary protein in ruminants is a major challenge to decrease feed supplementation and significantly decrease nitrogen (N) losses to the environment. The aim of this study was to characterize the effects of tannins on protein digestion in the rumen and in conditions simulating the abomasum, using a dynamic in vitro digestive system coupled to a digestomic approach. Three ruminally-cannulated sheep fed with alfalfa hay were infused daily with a solution of tannins, while three other sheep were infused with water (control). Standardized ruminal fluid was introduced into the digester, which simulated the transit of digesta under physicochemical conditions mimicking the abomasum in terms of pH regulation, digestive enzyme infusions and transit rate. Protein degradation in the rumen and in the simulated abomasum was analyzed by determination of fermentation end-products, and identification and quantification of peptides (Label Free Quantification) by LC-MS/MS high resolution (Orbitrap). The analysis of rumen samples showed that tannins result in a clear decrease of fermentation end-products related to protein degradation, namely ammonia (NH3) and iso-volatile fatty acids (VFA), and a greater abundance of the Rubisco, a major plant protein. In the simulated abomasal compartment, the peptidomic analysis showed that the hydrolysis intensity of Rubisco was higher in the presence of tannins compared to the control group. These results indicate that protein-tannin complexes could be dissociated in the physico-chemical conditions of the abomasum, increasing the flow of peptides to the intestine after protection of protein by tannins in the rumen

Characterization of Langmuir and Langmuir-Blodgett films of a thiomacrocyclic ionophore by surface pressure and AFM

Preprin

Morphology and mobility as tools to control and unprecedentedly enhance X-ray sensitivity in organic thin-films

Organic semiconductor materials exhibit a great potential for the realization of large-area solution-processed devices able to directly detect high-energy radiation. However, only few works investigated on the mechanism of ionizing radiation detection in this class of materials, so far. In this work we investigate the physical processes behind X-ray photoconversion employing bis-(triisopropylsilylethynyl)-pentacene thin-films deposited by bar-assisted meniscus shearing. The thin film coating speed and the use of bis-(triisopropylsilylethynyl)-pentacene:polystyrene blends are explored as tools to control and enhance the detection capability of the devices, by tuning the thin-film morphology and the carrier mobility. The so-obtained detectors reach a record sensitivity of 1.3 \ub7 104 \ub5C/Gy\ub7cm2, the highest value reported for organic-based direct X-ray detectors and a very low minimum detectable dose rate of 35 \ub5Gy/s. Thus, the employment of organic large-area direct detectors for X-ray radiation in real-life applications can be foreseen

Multimorbidity as a predictor of health service utilization in primary care: a registry-based study of the Catalan population

Background: Multimorbidity is highly relevant for both service commissioning and clinical decision-making. Optimization of variables assessing multimorbidity in order to enhance chronic care management is an unmet need. To this end, we have explored the contribution of multimorbidity to predict use of healthcare resources at community level by comparing the predictive power of four different multimorbidity measures. Methods: A population health study including all citizens ≥18 years (n = 6,102,595) living in Catalonia (ES) on 31 December 2014 was done using registry data. Primary care service utilization during 2015 was evaluated through four outcome variables: A) Frequent attendants, B) Home care users, C) Social worker users, and, D) Polypharmacy. Prediction of the four outcome variables (A to D) was carried out with and without multimorbidity assessment. We compared the contributions to model fitting of the following multimorbidity measures: i) Charlson index; ii) Number of chronic diseases; iii) Clinical Risk Groups (CRG); and iv) Adjusted Morbidity Groups (GMA). Results: The discrimination of the models (AUC) increased by including multimorbidity as covariate into the models, namely: A) Frequent attendants (0.771 vs 0.853), B) Home care users (0.862 vs 0.890), C) Social worker users (0.809 vs 0.872), and, D) Polypharmacy (0.835 vs 0.912). GMA showed the highest predictive power for all outcomes except for polypharmacy where it was slightly below than CRG. Conclusions: We confirmed that multimorbidity assessment enhanced prediction of use of healthcare resources at community level. The Catalan population-based risk assessment tool based on GMA presented the best combination of predictive power and applicability

Consistency of a nonword repetition task to discriminate children with and without developmental language disorder in Catalan-Spanish and European Portuguese speaking children

Nonword repetition has been proposed as a diagnostic marker of developmental language disorder (DLD); however, the inconsistency in the ability of nonword repetition tasks (NRT) to identify children with DLD raises significant questions regarding its feasibility as a clinical tool. Research suggests that some of the inconsistency across NRT may be due to differences in the nature of the nonword stimuli. In this study, we compared children’s performance on NRT between two cohorts: the children in the Catalan–Spanish cohort (CS) were bilingual, and the children in the European Portuguese cohort (EP) were monolingual. NRT performance was assessed in both Spanish and Catalan for the bilingual children from Catalonia-Spain and in Portuguese for the monolingual children from Portugal. Results show that although the absolute performance differed across the two cohorts, with NRT performance being lower for the CS, in both Catalan and Spanish, as compared to the EP cohort in both, the cut-points for the likelihood ratios (LH) were similar across the three languages and mirror those previously reported in previous studies. However, the absolute LH ratio values for this study were higher than those reported in prior research due in part to differences in wordlikeness and frequency of the stimuli in the current study. Taken together, the findings from this study show that an NRT consisting of 3-, 4-, and 5-syllable nonwords, which varies in wordlikeness ratings, when presented in a random order accurately identifies and correctly differentiates children with DLD from TD controls the child is bilingual or monolingual.This research was funded by the National Institute on Deafness and Other Communication Disorders (NIDCD) Grant [R0105263] awarded to Dr. Evans, from The National Institute of Child Health and Human Development (NICHD) Grant [P30HD03352] awarded to the Waisman Center, The University of Wisconsin Madison; by the Ministerio de Economía y Competitividad Grant [2016EDU2016-75368-P/BES-2014-070511] awarded from Dr. Andreu and from the Agència de Gestió d’Ajuts Universitaris i de Recerca (AGAUR) de la Generalitat de Catalunya [2017SGR387] awarded to the Grup de Recerca en Cognició i Llenguatge (UOC-UB); by the CIEd—Research Centre on Education, Institute of Education, University of Minho, projects [UIDB/01661/2020] and [UIDP/01661/2020], through national funds of FCT/MCTES-PT

RNA-binding and prion domains: the Yin and Yang of phase separation

Proteins and RNAs assemble in membrane-less organelles that organize intracellular spaces and regulate biochemical reactions. The ability of proteins and RNAs to form condensates is encoded in their sequences, yet it is unknown which domains drive the phase separation (PS) process and what are their specific roles. Here, we systematically investigated the human and yeast proteomes to find regions promoting condensation. Using advanced computational methods to predict the PS propensity of proteins, we designed a set of experiments to investigate the contributions of Prion-Like Domains (PrLDs) and RNA-binding domains (RBDs). We found that one PrLD is sufficient to drive PS, whereas multiple RBDs are needed to modulate the dynamics of the assemblies. In the case of stress granule protein Pub1 we show that the PrLD promotes sequestration of protein partners and the RBD confers liquid-like behaviour to the condensate. Our work sheds light on the fine interplay between RBDs and PrLD to regulate formation of membrane-less organelles, opening up the avenue for their manipulation