Self-assembly of ClAlPc molecules on moiré-patterned graphene grown on Pt(111)

Phthalocyanines are promising molecules for the development of organic electronic devices, for instance, molecular heterojunctions in organic solar cells or organic field-effect transistors. For an optimum performance of these devices, the molecular ordering on the substrate and the molecular electronic level alignment have been shown as crucial factors. In this work, the self-assembled structure and the electronic structure of chloroaluminum phthalocyanines (ClAlPc) on graphene grown on Pt(111) surfaces have been studied by scanning tunneling microscopy (STM) under ultrahigh vacuum (UHV) and low-temperature conditions. Graphene grown on Pt(111) exhibits multiple moiré patterns with different periodicities, offering a benchmark to investigate the influence of the graphene and the moiré patterns in the ClAlPc ordering. This surface allows to extend previous works performed on graphite and graphene on Cu(100), where no moiré patterns are found. Well-ordered molecular islands exhibiting rotational domains have been observed in the submonolayer regime. The orientation of individual ClAlPc molecules within the structure unit cell has been characterized pointing out to a Cl-Up configuration adopted by the molecules. Our measurements show a correlation between the molecular lattice orientation and the graphene directions, whereas no influence of the underlying moiré patterns has been found. Finally, the ClAlPc electronic structure has been characterized indicating a weak graphene-molecule interactionFinancial support from the Spanish Ministerio de Economía y Competitividad (MINECO) and Fondo Europeo de Desarrollo Regional (FEDER) under grant No. MAT2016-77852-C2-2-R and from the Spanish Ministerio de Ciencia e Innovación, through the “María de Maeztu” Programme for Units of Excellence in R&D (grant No. CEX2018-000805- M) is gratefully acknowledge

Estudio numérico de las capacidades predictivas del modelo de turbulencia Reynolds Averaged Navier-Stokes (RANS) aplicado a convertidores catalíticos

[EN] Air pollution is a constantly growing concern that industry and organisations need to face nowadays. It has been demonstrated that one of the major factors that contributes to the level of the air pollution comes from the automotive sector. As a response to the raised claim, the industry developed new types of devices to reduce the emissions. This project deals with the analysis of one of these components that is the catalytic monolith using the method of Computational Fluid Dynamics (CFD) and a further benchmark of the results obtained against the experimental data. An ideal configuration of a monolith is being used to perform the analysis with RANS computational model of approach. In addition to this model, 𝑣2 − 𝑓, Launder-Sharma, and 𝑘𝑡 − 𝑘𝑙 − ω turbulence models are applied and the solutions will be tested by means of OpenFOAM simulations. It is examined the effect that common numerical discretisation schemes for the gradient and the divergence term as well as the input conditions have on the resulting velocity profile.[ES] Hoy en día la contaminación atmosférica es considerada como un problema ineludible y creciente en las zonas más industrializadas del planeta. Se ha demostrado que uno de los principales factores que contribuye al nivel de contaminación del aire proviene de las emisiones en el sector de la automoción. Por ello y en respuesta a las reivindicaciones sociales y políticas, dicha industria ha desarrollado dispositivos para reducir estos gases. El objetivo de este proyecto es estudiar uno de estos componentes, el convertidor catalítico usando dinámica de fluidos computacional (CFD) y como referencia los resultados obtenidos con los datos experimentales. Para realizar el análisis con el modelo computacional RANS, se usará una configuración ideal de un catalizador. Asimismo, se usarán los modelos 𝑣2 − 𝑓, Launder-Sharma, y 𝑘𝑡 − 𝑘𝑙 − ω cuyas soluciones serán analizadas usando la plataforma CFD OpenFOAM. Finalmente, se estudiarán los efectos que distintos esquemas comunes de discretización numéricos para los términos de divergencia y gradiente, así como las condiciones de entrada tienen en el perfil de velocidades resultante.Sánchez Abad, N. (2016). Estudio numérico de las capacidades predictivas del modelo de turbulencia Reynolds Averaged Navier-Stokes (RANS) aplicado a convertidores catalíticos. Universitat Politècnica de València. http://hdl.handle.net/10251/77868TFG

Rare predicted loss-of-function variants of type I IFN immunity genes are associated with life-threatening COVID-19

BackgroundWe previously reported that impaired type I IFN activity, due to inborn errors of TLR3- and TLR7-dependent type I interferon (IFN) immunity or to autoantibodies against type I IFN, account for 15-20% of cases of life-threatening COVID-19 in unvaccinated patients. Therefore, the determinants of life-threatening COVID-19 remain to be identified in similar to 80% of cases.MethodsWe report here a genome-wide rare variant burden association analysis in 3269 unvaccinated patients with life-threatening COVID-19, and 1373 unvaccinated SARS-CoV-2-infected individuals without pneumonia. Among the 928 patients tested for autoantibodies against type I IFN, a quarter (234) were positive and were excluded.ResultsNo gene reached genome-wide significance. Under a recessive model, the most significant gene with at-risk variants was TLR7, with an OR of 27.68 (95%CI 1.5-528.7, P=1.1x10(-4)) for biochemically loss-of-function (bLOF) variants. We replicated the enrichment in rare predicted LOF (pLOF) variants at 13 influenza susceptibility loci involved in TLR3-dependent type I IFN immunity (OR=3.70[95%CI 1.3-8.2], P=2.1x10(-4)). This enrichment was further strengthened by (1) adding the recently reported TYK2 and TLR7 COVID-19 loci, particularly under a recessive model (OR=19.65[95%CI 2.1-2635.4], P=3.4x10(-3)), and (2) considering as pLOF branchpoint variants with potentially strong impacts on splicing among the 15 loci (OR=4.40[9%CI 2.3-8.4], P=7.7x10(-8)). Finally, the patients with pLOF/bLOF variants at these 15 loci were significantly younger (mean age [SD]=43.3 [20.3] years) than the other patients (56.0 [17.3] years; P=1.68x10(-5)).ConclusionsRare variants of TLR3- and TLR7-dependent type I IFN immunity genes can underlie life-threatening COVID-19, particularly with recessive inheritance, in patients under 60 years old

Correction: Rare predicted loss-of-function variants of type I IFN immunity genes are associated with life-threatening COVID-19

International audienc

Global variation in postoperative mortality and complications after cancer surgery: a multicentre, prospective cohort study in 82 countries

© 2021 The Author(s). Published by Elsevier Ltd. This is an Open Access article under the CC BY-NC-ND 4.0 licenseBackground: 80% of individuals with cancer will require a surgical procedure, yet little comparative data exist on early outcomes in low-income and middle-income countries (LMICs). We compared postoperative outcomes in breast, colorectal, and gastric cancer surgery in hospitals worldwide, focusing on the effect of disease stage and complications on postoperative mortality. Methods: This was a multicentre, international prospective cohort study of consecutive adult patients undergoing surgery for primary breast, colorectal, or gastric cancer requiring a skin incision done under general or neuraxial anaesthesia. The primary outcome was death or major complication within 30 days of surgery. Multilevel logistic regression determined relationships within three-level nested models of patients within hospitals and countries. Hospital-level infrastructure effects were explored with three-way mediation analyses. This study was registered with ClinicalTrials.gov, NCT03471494. Findings: Between April 1, 2018, and Jan 31, 2019, we enrolled 15 958 patients from 428 hospitals in 82 countries (high income 9106 patients, 31 countries; upper-middle income 2721 patients, 23 countries; or lower-middle income 4131 patients, 28 countries). Patients in LMICs presented with more advanced disease compared with patients in high-income countries. 30-day mortality was higher for gastric cancer in low-income or lower-middle-income countries (adjusted odds ratio 3·72, 95% CI 1·70–8·16) and for colorectal cancer in low-income or lower-middle-income countries (4·59, 2·39–8·80) and upper-middle-income countries (2·06, 1·11–3·83). No difference in 30-day mortality was seen in breast cancer. The proportion of patients who died after a major complication was greatest in low-income or lower-middle-income countries (6·15, 3·26–11·59) and upper-middle-income countries (3·89, 2·08–7·29). Postoperative death after complications was partly explained by patient factors (60%) and partly by hospital or country (40%). The absence of consistently available postoperative care facilities was associated with seven to 10 more deaths per 100 major complications in LMICs. Cancer stage alone explained little of the early variation in mortality or postoperative complications. Interpretation: Higher levels of mortality after cancer surgery in LMICs was not fully explained by later presentation of disease. The capacity to rescue patients from surgical complications is a tangible opportunity for meaningful intervention. Early death after cancer surgery might be reduced by policies focusing on strengthening perioperative care systems to detect and intervene in common complications. Funding: National Institute for Health Research Global Health Research Unit

Effects of hospital facilities on patient outcomes after cancer surgery: an international, prospective, observational study

© 2022 The Author(s). Published by Elsevier Ltd. This is an Open Access article under the CC BY 4.0 licenseBackground: Early death after cancer surgery is higher in low-income and middle-income countries (LMICs) compared with in high-income countries, yet the impact of facility characteristics on early postoperative outcomes is unknown. The aim of this study was to examine the association between hospital infrastructure, resource availability, and processes on early outcomes after cancer surgery worldwide. Methods: A multimethods analysis was performed as part of the GlobalSurg 3 study—a multicentre, international, prospective cohort study of patients who had surgery for breast, colorectal, or gastric cancer. The primary outcomes were 30-day mortality and 30-day major complication rates. Potentially beneficial hospital facilities were identified by variable selection to select those associated with 30-day mortality. Adjusted outcomes were determined using generalised estimating equations to account for patient characteristics and country-income group, with population stratification by hospital. Findings: Between April 1, 2018, and April 23, 2019, facility-level data were collected for 9685 patients across 238 hospitals in 66 countries (91 hospitals in 20 high-income countries; 57 hospitals in 19 upper-middle-income countries; and 90 hospitals in 27 low-income to lower-middle-income countries). The availability of five hospital facilities was inversely associated with mortality: ultrasound, CT scanner, critical care unit, opioid analgesia, and oncologist. After adjustment for case-mix and country income group, hospitals with three or fewer of these facilities (62 hospitals, 1294 patients) had higher mortality compared with those with four or five (adjusted odds ratio [OR] 3·85 [95% CI 2·58–5·75]; p<0·0001), with excess mortality predominantly explained by a limited capacity to rescue following the development of major complications (63·0% vs 82·7%; OR 0·35 [0·23–0·53]; p<0·0001). Across LMICs, improvements in hospital facilities would prevent one to three deaths for every 100 patients undergoing surgery for cancer. Interpretation: Hospitals with higher levels of infrastructure and resources have better outcomes after cancer surgery, independent of country income. Without urgent strengthening of hospital infrastructure and resources, the reductions in cancer-associated mortality associated with improved access will not be realised. Funding: National Institute for Health and Care Research