BUSCADOR RECOLECTA

The dataset addressed in this article contains parameters about El Val reservoir (province of Zaragoza, Spain). It includes physicochemical variables, the water level, the stored water volume, its meteorological conditions and the flow rate of its effluent, the Queiles River, a few metres downstream of the dam. The El Val reservoir stores water from the Val River, but it also receives water from the Queiles River through a pipeline and from several ravines. The dam releases on the Queiles River, which is a tributary of the Ebro River (the second one in Spain in length and discharge rate). A multiparametric probe (aquaDam, Adasa Systems), hanging from a structure located in the dam, every 6 h makes a vertical profile taking the measurements at each metre of depth from the surface to approximately 573 m above sea level (m.a.s.l.), in other words, between 2 and 3 m above the bottom outlet. This probe collects data of water temperature, pH, ORP, conductivity, dissolved oxygen, turbidity and chlorophyll concentration. Meteorological data are collected in the nearest weather station, located in the municipality of Los Fayos which is about 500 m downstream of the dam. These include daily accumulated precipitation, daily maximum and average solar irradiance, daily maximum, minimum and average air temperature and daily average wind speed. The water level and volume of stored water and the flow rate of the Queiles River are collected in the El Val monitoring station and the Queiles River gauge station respectively, and are also provided on a daily basis., These data are useful to feed deterministic, data driven or hybrid hydrological models with different purposes, like the identification of the impact of meteorological conditions on the physicochemical properties of the reservoir as well as the assessment of different management strategies in the reservoir., This is a data article that additionally supports the work published in Ecological Informatics [1] where the use of common and readily available open data is promoted through its use to feed data driven models, in particular to infer the depth of the thermocline in reservoirs that are periodically or permanently thermally stratified. In that article a dataset derived from the one presented in this article is used., Peer reviewed

8 files.-- Pdf file: Inputs used for the AlphaFold modeling (Table S1); intramolecular hydrogen bonds formed in ELRVKV and ELRCTA between G–G, V–V, and G–V (Figure S1); cell viability of HeLa cells and RAW macrophages after incubation with ELRVKV (Figure S2); morphology of HeLa and RAW cells cultured for 48 h (Figure S3); DH measurements for DPPC-ELRCTA hybrid liposomes at 25 and 37 °C (Figure S4).-- Movie 1: Animation shows a snapshot of the ELRVKV with the structure predicted by AlphaFold. The lysines, all oriented in one direction according to the prediction, have been highlighted in blue licorice representation.-- Movie 2: Animation shows a rotation of the ELRCTA, where the CTA groups with cholesterol are observed in Corey–Pauling–Koltun (CPK) representation. The snapshot belongs to the initial time of the simulation running process.-- Movie 3: Animation shows a rotation of the ELRCTA, where the CTA groups are observed in Corey–Pauling–Koltun (CPK) representation. The snapshot belongs to the final time of the simulation running process, clearly depicting the platelet-like positioning of the CTA groups.-- Movie 4: Animation of the molecular dynamics of a multipentapeptide segment of ELRVKV. The permanent position of the lysines (highlighted in blue licorice representation) and the spring-like formation of the protein chain can be seen. The representation of the protein chain is enabled to observe the secondary structure, highlighting the β conformation with a yellow arrow. As can be seen, in the time that this example has lasted, this conformation remains unchanged.-- Movie 5a: Animations show segments of the ELRCTA in which a cholesterol group is present. (a) Different segments of the protein, in different time periods of the running stage of the simulation. The presence of β structures induced by the presence of CTA is clearly observed through the emergence and constancy of yellow arrows (β conformation.-- Movie 5b: Animations show segments of the ELRCTA in which a cholesterol group is present. (b) Different segments of the protein, in different time periods of the running stage of the simulation. The presence of β structures induced by the presence of CTA is clearly observed through the emergence and constancy of yellow arrows (β conformation).-- Zip: Structures of 10 AlphaFold predictions for the ELRVKV protein and visualizing a representation in licorice of lysines (LYS) and ribbons for full protein, Current models for elastin-like recombinamer (ELR) design struggle to predict the effects of nonprotein fused materials on polypeptide conformation and temperature-responsive properties. To address this shortage, we investigated the novel functionalization of ELRs with cholesterol (CTA). We employed GROMACS computational molecular dynamic simulations complemented with experimental evidence to validate the in silico predictions. The ELRCTA was biosynthesized and characterized by using fluorescence assays, circular dichroism, dynamic light scattering, and differential scanning calorimetry. The in silico and in vitro data showed that CTA promotes the formation of intramolecular hydrogen bonds that favor β-sheet secondary structures. Compared with an unmodified ELRVKV, CTA enhanced the hydrophobicity and stability of the system, allowing the formation of monodisperse nanoaggregates at physiologically relevant temperatures. Importantly, calorimetry assays revealed that ELRCTA interacted and intercalated with the lipid bilayers of the DPPC liposomes. To demonstrate the implications of these changes for biomedical applications, ELRCTA and DPPC-ELRCTA hybrid nanoparticles were tested with cancer and immune cell lines. Interactions with the cell membranes demonstrated a synergistic effect of the composition and size of the modified recombinamer aggregates on the internalization. The results indicated the potential use of ELR-based nanoparticles for localized and systemic drug delivery. This work sets a new precedent to design elastin-inspired biomaterials with predictable self-assembly properties and develop novel drug delivery strategies, Peer reviewed

A series of polyimides (PIs) was synthesized from 6FDA and two o-OH substituted diamines having bulky pendant phenyl, Ph, and trifluoromethyl, CF3, groups as precursors for thermally rearranged polybenzoxazole, TR-PBO, membranes. One diamine had two pendant Ph substituents; in the other, the substituents were Ph and CF3. Applying azeotropic and chemical cyclizations allowed the obtention of four o-hydroxy (o-OH) or/and o-acetoxy (o-OAc) substituted PIs depending on the imidization method. The PIs were labeled as 3Ph-OH, 4Ph-OH, or 3Ph-OAc and 4PH-OAc, respectively. Thermal rearrangements of all four precursors were investigated in the interval from 350 to 450 °C. The conversions to TR-PBO increased with temperature, and almost quantitative conversions were obtained at temperatures close to 450 °C, although o-OH substituted PIs reached conversions slightly higher than those of o-OAc PIs at a given temperature. The TR-polymers’ fractional free volume (FFV) also increased with conversion but was higher for the o-OAc substituted precursors. Despite the high TR-PBO conversions, self-supported uniform TR membranes with reasonable mechanical properties were obtained, except for 4Ph-OH. Gas separation behavior of the membranes significantly improved after the thermal treatment, and the final CO2/CH4 permselectivities lay between the 1991 and 2008 Robeson upper bounds. Particularly, TR-membranes derived from o-OAc precursors and with pendant CF3 group demonstrated better gas transport properties with values of P(CO2) = 1121 barrer and αCO2/CH4 = 29 for 3Ph-OAc derived membrane, which positioned it beyond the 2008 upper limit., Peer reviewed

1 file, This global database (CoastDOM v.1) contains both previously published and unpublished measurements of Dissolved organic carbon (DOC), nitrogen (DON) and phosphorus (DOP) in coastal waters. The dataset also contains hydrographic data such as temperature and salinity and, to the extent possible, other biogeochemical variables (e.g., Chlorophyll-a, inorganic nutrients) and the inorganic carbon system (e.g., dissolved inorganic carbon and total alkalinity). The data included were collected from 1978 to 2022 and consist of 62339 data points for DOC, 20360 for DON and 13440 for DOP, Danmarks Frie Forskningsfond, grant/award no. 1127-00033B. National Science Centre Poland (NCN), grant/award no. UMO-2019/33/B/ST10/01232. Natural Environment Research Council (NERC), grant/award no. NE/N018087/1: Land Ocean CArbon TransfEr (LOCATE), With the institutional support of the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2019-000928-S)., Peer reviewed

Associazione Italiana per la Ricerca sul Cancro Ministero dell’Università e della Ricerca Fondazione Umberto Veronesi Fondazione Italiana per la ricerca sulle Malattie del Pancreas, Peer reviewed

Associazione Italiana per la Ricerca sul Cancro Ministero dell’Università e della Ricerca Fondazione Umberto Veronesi Fondazione Italiana per la ricerca sulle Malattie del Pancreas, Peer reviewed

Associazione Italiana per la Ricerca sul Cancro Ministero dell’Università e della Ricerca Fondazione Umberto Veronesi Fondazione Italiana per la ricerca sulle Malattie del Pancreas, Peer reviewed

Mathematical derivations, validation, development, and additional results for HyperTraPS-CT., Peer reviewed

[Introduction]: Lysyl oxidase-like 2 (LOXL2) expression and function is frequently altered in different cancers but scarcely explored in oral squamous cell carcinoma (OSCC). This prompted us to investigate the clinical relevance of LOXL2 expression pattern in OSCC and also a possible crosstalk with Hippo/YAP1 pathway signaling., [Methods]: Immunohistochemical analysis of LOXL2 protein expression was performed in 158 OSCC patient samples, together with Yes-associated protein 1 (YAP1) activation status. Correlations with clinicopathological parameters and patient survival were assessed., [Results]: Tumor cell-intrinsic LOXL2 expression showed two distinct expression patterns: diffuse cytoplasmic staining (64.6%) and heterogeneous perinuclear staining (35.4%). Remarkably, perinuclear LOXL2 staining was significantly associated with lymph node metastasis, advanced clinical stage and perineural invasion. Moreover, patients harboring tumors with perinuclear LOXL2 expression exhibited significantly poorer disease-specific survival (DSS) rates, and perinuclear LOXL2 positivity gradually increased in relation to YAP1 activation. Patients harboring tumors with concomitant perinuclear LOXL2 and fully active YAP1 exhibited the worst DSS. Multivariate Cox analysis further revealed combined perinuclear LOXL2 and fully active YAP1 as a significant independent predictor of poor DSS., [Conclusion]: Tumor-intrinsic perinuclear LOXL2 emerges as a clinically and biologically relevant feature associated with advanced disease, tumor aggressiveness, and poor prognosis in OSCC. Moreover, this study unprecedentedly uncovers a functional relationship between perinuclear LOXL2 and YAP1 activation with major prognostic implications. Notably, combined perinuclear LOXL2 and fully active YAP1 was revealed as independent predictor of poor prognosis. These findings encourage targeting oncogenic LOXL2 functions for personalized treatment regimens., Peer reviewed

The prediction of population responses to environmental changes, including the effects of different management scenarios, is a useful tool and a necessary contributor to improving conservation decisions. Empirical datasets based on long-term monitoring studies are essential to assess the robustness of retrospective modelling predictions on biodiversity. These allow checks on the performance of modelling projections and enable improvements to be made to future models, based on the errors detected. Here, we assess the performance of our earlier model to assess the impact of vulture food shortages caused by sanitary regulations on the population dynamics of Spanish vultures during the past decade (2009–2019). This model forecasts the population trends of three vulture species (griffon, Egyptian and bearded vultures) in Spain (home to 90% of the European vulture population) under various food shortage scenarios. We show that it underestimated bearded and griffon vulture population numbers and overestimated Egyptian vultures. The model suggested that the most plausible food shortage scenario involved an approximate 50% reduction of livestock carcass availability in the ecosystem compared with the previous situation without sanitary carcass removal. However, the observed annual population growth for the period 2009–2019 (7.8% for griffon vulture, 2.4% for Egyptian vulture and 3.5% for bearded vulture) showed that food shortages had little impact on vulture population dynamics. After assessing the robustness of the model, we developed a new model with updated demographic parameters and foraging movements under different hypothetical food shortage scenarios for the period 2019–2029. This model forecasts annual population increases of about 3.6% for the bearded vulture, 3.7% for the Egyptian vulture, and 1.1% for the Griffon vulture. Our findings suggest that food shortages due to the implementation of sanitary policies resulted in only a moderate impact on vulture population growth, probably thanks to the supplementary feeding network which provided alternative food. Also important was the availability of alternative food sources (intensive farms, landfills) that were used more regularly than expected. We discuss the computational performance of our modelling approach and its management consequences to improve future conservation measures for these threatened species, which provide essential ecosystem services., PID2022-142328OB-I00, Peer reviewed