Massive non-natural proteins structure prediction using grid technologies

Background The number of natural proteins represents a small fraction of all the possible protein sequences and there is an enormous number of pr oteins never sampled by nature, the so called "never born proteins" (NBPs). A fundamental question in this regard is if the ensemble of natural proteins possesses peculiar chemical and physical properties or if it is just the product of contingency coupled to functional selection. A key feature of natural proteins is thei r ability to form a well defined three-dimensional structure. T hus, the structural study of NBPs can help to understand if natural protein sequences were selecte d for their peculiar properties or if they are just one of the possible stable and functional ensembles. Methods The structural characterization of a huge number of random proteins cannot be approached experimentally, thus the problem has been tackled using a computational approach. A large random protein sequences library (2 × 10 ^4 sequences) was generated, discarding amino acid sequences with significant simi larity to natural proteins, and the corresponding structures were predicted using Rosetta. Given th e highly computational demanding problem, Rosetta was ported in grid and a user friendly job submission environment was developed within the GENIUS Grid Portal. Protein structures generated were analysed in terms of net charge, secondary structure content, surface/volume ratio, hydrophobic core composition, etc. Results The vast majority of NBPs, according to the Rosetta mode l, are characterized by a compact three-dimensional structure with a high secondary structure content. Structure compactness and surface polarity are comparable to those of natural proteins, suggesting similar stability and solubility. Deviations are observed in α helix- β strands relative content and inydrophobic core composition, as NBPs appear to be richer in helical structure and aromatic amino acids with respect to natural proteins. Conclusion The results obtained suggest that the abil ity to form a compact, ordered and water-soluble structure is an intrinsic property of polypeptides. The tendency of random sequences to adopt α helical folds indicate that all-α proteins may have emerged ea rly in pre-biotic evolution. Further, the lower percentage of aromatic residu es observed in natural proteins has important evolutionary implications as far as tolerance to mutati ons is concerned

Revisiting Delta Y/Delta Z from multiple main sequences in Globular Clusters: insight from nearby stars

For nearby K dwarfs, the broadening of the observed Main Sequence at low metallicities is much narrower than expected from isochrones with the standard helium-to-metal enrichment ratio DY/DZ=2. Though the latter value fits well the Main Sequence around solar metallicity, and agrees with independent measurements from HII regions as well as with theoretical stellar yields and chemical evolution models, a much higher DY/DZ~10 is necessary to reproduce the broadening observed for nearby subdwarfs. This result resembles, on a milder scale, the very high DY/DZ estimated from the multiple Main Sequences in Omega Cen and NGC 2808. Although not "inverted" as in omega Cen, where the metal-rich Main Sequence is bluer than the metal-poor one, the broadening observed for nearby subdwarfs is much narrower than stellar models predict for a standard helium content. We use this empirical evidence to argue that a revision of lower Main Sequence stellar models, suggested from nearby stars, could significantly reduce the helium content inferred for the subpopulations of those globular clusters. A simple formula based on empirically calibrated homology relations is constructed, for an alternative estimate of DY/DZ in multiple main sequences. We find that, under the most favourable assumptions, the estimated helium content for the enriched populations could decrease from Y~0.4 to as low as Y~0.3.Comment: 15 pages, 12 figures, in press on MNRA

Factores de riesgo ambiental asociado a enfermedades respiratorias agudas en niños

Unas tres millones de muertes al año están relacionadas con la exposición a la contaminación de aire exterior. Casi el 90% de las muertes relacionadas con la contaminación del aire se producen en países de medianos y bajos ingresos. Uno de los grupos más vulnerables son los niños. El objetivo del presente trabajo fue identificar los factores de riesgo ambiental asociado a las enfermedades respiratorias agudas en niños de la ciudad de Concepción del Uruguay. Para ello se consideraron dos sectores de la ciudad, una zona de riesgo y una zona de control, en las cuales se realizaron 500 encuestas para relevar factores particulares y socioambientales de los niños, así como también mediciones ambientales de calidad de aire. Por otro lado, se digitalizaron registros de guardia del hospital zonal, para obtener datos epidemiológicos secundarios. Las concentraciones de dióxido de azufre y dióxido de nitrógeno superan el límite establecido en la normativa provincial en la mayoría de los casos analizados. Se concluye que existe un riesgo ambiental primario asociado a la calidad del aire en ambas zonas, sin depender de las condiciones particulares y socio-ambientales generales, que influye en la ocurrencia de enfermedades diagnosticadas y/o síntomas respiratorios. ARK/CAICYT: http://id.caicyt.gov.ar/ark:/s22504559/k0xkazta

Factores de riesgo ambiental asociado a enfermedades respiratorias agudas en niños

Unas tres millones de muertes al año están relacionadas con la exposición a la contaminación de aire exterior. Casi el 90% de las muertes relacionadas con la contaminación del aire se producen en países de medianos y bajos ingresos. Uno de los grupos más vulnerables son los niños. El objetivo del presente trabajo fue identificar los factores de riesgo ambiental asociado a las enfermedades respiratorias agudas en niños de la ciudad de Concepción del Uruguay. Para ello se consideraron dos sectores de la ciudad, una zona de riesgo y una zona de control, en las cuales se realizaron 500 encuestas para relevar factores particulares y socioambientales de los niños, así como también mediciones ambientales de calidad de aire. Por otro lado, se digitalizaron registros de guardia del hospital zonal, para obtener datos epidemiológicos secundarios. Las concentraciones de dióxido de azufre y dióxido de nitrógeno superan el límite establecido en la normativa provincial en la mayoría de los casos analizados. Se concluye que existe un riesgo ambiental primario asociado a la calidad del aire en ambas zonas, sin depender de las condiciones particulares y socio-ambientales generales, que influye en la ocurrencia de enfermedades diagnosticadas y/o síntomas respiratorios. ARK/CAICYT: http://id.caicyt.gov.ar/ark:/s22504559/k0xkazta

Rumination and social support as predictors of posttraumatic growth in women with breast cancer: a systematic review

Objective: Posttraumatic Growth (PTG) is a perceived positive change after a stressful situation. Studies describe different predictors of PTG. The purpose of this study was to (1) review the evidence that rumination and social support are predictors of PTG; (2) analyze the results of the screened studies. Method: A systematic review was conducted by searching for articles with quantitative or mixed methods that evaluated PTG using the Posttraumatic Growth Inventory, rumination and/or social support in women with breast cancer. Results: Were identified twelve articles that corresponded to the inclusion criteria. All of them reported some degree of PTG in their samples. Rumination was evaluated in three studies, social support was evaluated in ten, and both were considered to have a positive correlation with PTG. Conclusions: This review concludes that rumination and social support are predictors of PTG in women with breast cancer. These results contribute to the development of new interventions in mental health

The ACS Fornax Cluster Survey. IX. The Color-Magnitude Relation of Globular Cluster Systems

We investigate the color-magnitude relation for globular clusters (GCs) -- the so-called "blue tilt" -- detected in the ACS Fornax Cluster Survey and using the combined sample of GCs from the ACS Fornax and Virgo Cluster Surveys. We find a tilt of gamma_z=d(g-z)/dz=-0.0257 +- 0.0050 for the full GC sample of the Fornax Cluster Survey (~5800 GCs). This is slightly shallower than the value gamma_z=-0.0459 +- 0.0048 found for the Virgo Cluster Survey GC sample (~11100 GCs). The slope for the merged Fornax and Virgo datasets (~16900 GCs) is gamma_z=-0.0293 +- 0.0085, corresponding to a mass-metallicity relation of Z ~ M^0.43. We find that the blue tilt sets in at GC masses in excess of M ~ 2*10^5 M_sun. The tilt is stronger for GCs belonging to high-mass galaxies (M_* > 5 * 10^10 M_sun) than for those in low-mass galaxies (M_* < 5 * 10^10 M_sun). It is also more pronounced for GCs with smaller galactocentric distances. Our findings suggest a range of mass-metallicity relations Z_GC ~ M_GC^(0.3-0.7) which vary as a function of host galaxy mass/luminosity. We compare our observations to a recent model of star cluster self-enrichment with generally favorable results. We suggest that, within the context of this model, the proto-cluster clouds out of which the GCs formed may have had density profiles slightly steeper than isothermal and/or star formation efficiencies somewhat below 0.3. We caution, however, that the significantly different appearance of the CMDs defined by the GC systems associated with galaxies of similar mass and morphological type pose a challenge to any single mechanism that seeks to explain the blue tilt. We therefore suggest that the merger/accretion histories of individual galaxies have played a non-negligible role determining the distribution of GCs in the CMDs of individual GC systems

DRACULA2 is a dynamic nucleoporin with a role in regulating the shade avoidance syndrome in Arabidopsis

Altres ajuts: C.T. received a Marie Curie IEF postdoctoral contract funded by the European Commission.I.R.-V. received initiallyan FPIfellowship from the SpanishMINECO and later a Beatriu de Pinós contract from AGAUR. - Our research is supported by grants from Generalitat Valenciana [PROMETEO/2009/112, PROMETEOII/2014/006] to M.R.P. and J.L.M.When plants grow in close proximity basic resources such as light can become limiting. Under such conditions plants respond to anticipate and/or adapt to the light shortage, a process known as the shade avoidance syndrome (SAS). Following genetic screening using a shade-responsive luciferase reporter line (PHYB:LUC), we identified DRACULA2 (DRA2), which encodes an Arabidopsis homolog of mammalian nucleoporin 98, a component of the nuclear pore complex (NPC). DRA2, together with other nucleoporins, participates positively in the control of the hypocotyl elongation response to plant proximity, a role that can be considered dependent on the nucleocytoplasmic transport of macromolecules (i.e. is transport dependent). In addition, our results reveal a specific role for DRA2 in controlling shade-induced gene expression. We suggest that this novel regulatory role of DRA2 is transport independent and that it might rely on its dynamic localization within and outside of the NPC. These results provide mechanistic insights in to how SAS responses are rapidly established by light conditions. They also indicate that nucleoporins have an active role in plant signaling

A simple new screening tool for diagnosing imported schistosomiasis

We sought to test the sensitivity and feasibility of a Schistosoma infection screening process consisting of a scored patient consultation questionnaire and a serological diagnostic test. Prospective cross-sectional study. We collected from Schistosoma-exposed individuals a 14-point check list of clinical and laboratory data related to Schistosoma infection, alongside a serological test to detect Schistosoma spp infection. A check list score was created and compared with the risk of infection and clinical recovery through an agreement analysis. Two-hundred and fifty individuals were enrolled, of whom 220 (88%) were male and 30 (12%) female. The median age was 39 (range 18-78). One hundred-fifty (60%, 95% CI 54.9%-65.1%) had a check-list score ≥2. Serology test results were positive for 142 (56.8%, 95% CI 51.6%-62%). Chronic complications compatible with long-term Schistosoma infection were detected in 29 out of these 142 (20.4%, 95% CI 13.8%-27%).,. The median score value was 3, the area under the receiver operating characteristic (ROC) curve against serology results was 0.85 and the estimated intercept check-list questionnaire score value was 1.72 (95%, CI: 1.3-2.2). Participants with a positive serological test had a substantially higher check-list score (Cohen's kappa coefficient: 0.62, 95% CI: 0.54-0.70). Ninety four percent patients empirically treated showed a subsequent improvement in clinical and laboratory parameters. A two-component process consisting of a scored patient consultation questionnaire followed by serological assay can be a suitable strategy for screening populations at high risk of schistosomiasis infection

Mineralogía del proceso de enriquecimiento supergénico de Co en los depósitos lateríticos de Ni tipo silicato hidratado

El cobalto es un metal estratégico con una gran importancia industrial y económica que, desde el año 2011, se encuentra en la lista de materias primas consideradas críticas para la economía europea (European Commission, 2020). El Co, junto con el Ni, las Tierras Raras y el Li, es básico para la transición hacia las energías limpias (Alves Dias et al., 2018; Seck et al., 2022). Aunque el 70 % de la producción mundial de Co proviene de los depósitos de Cu en sedimentos de la República Democrática del Congo, el Co también se extrae como subproducto de los depósitos lateríticos de Ni. En este tipo de depósito, el Co se encuentra asociado preferentemente a óxidohidróxidos de Mn y/o Fe, en el horizonte limonítico o en la transición del horizonte saprolítico a limonítico. Conocer mejor en qué minerales se encuentra el Co en el contexto de los depósitos lateríticos permitirá mejorar la eficiencia de la extracción de los mismos. En este estudio se presenta una caracterización detallada de los minerales de Mn de dos perfiles representativos de los depósitos lateríticos de Ni y Co de tipo silicato hidratado de la región del Caribe: Loma Caribe (distrito de Falcondo en la República Dominicana), y Loma de Hierro (norte de Venezuela), con el fin de identificar las fases portadoras de Co y definir los procesos responsables de su formación. En ambos perfiles, se han observado mineralizaciones de Mn-Co, de grano fino, formando pátinas sobre el material saprolítico y/o limonítico, concreciones en diaclasas y rellenando fracturas. Se han estudiado 5 muestras de estas mineralizaciones, tres de Loma Caribe, y dos de Loma de Hierro, mediante DRX, FRX, ICP-MS, microscopía óptica, FE-SEM y EMPA