Resultados de investigación

Informe histórico-arqueológico de los pecios de la flota del Marqués de Apodaca, Trinidad y Tobago., At a critical moment in the history of Trinidad, Britain took control of the island from Spain in 1797. This historic moment is iconically represented by the loss of most of the Spanish fleet, set on fire by its admiral, Sebastián Ruiz de Apodaca, to prevent its capture by the British. A shipwreck , located just off Gaspar Grande Island which has been the subject of intermittent salvage over more than a century, is believed to be one of the four ships sunk in 1797, possibly the flagship San Vicente. The site was recently visited by the Prof. Nigel Nayling, Scientific in charge in Nautical Archaeology in the ForSEAdiscovery project (PITN2013-GA607545), to assess its potential as a site for the collection of wood samples as part of a scientific research project, ForSEAdiscovery (funded by the European Commission) and with the assistance of His Excellency, the Ambassador of Spain., “The research leading to these results (or invention) has received funding from the People Programme (Marie Curie Actions) of the European Union´s Seventh Framework Programme (FP72007-2013) under REA grant agreement nº PITN-GA 2013-607545”, No

This dataset contains raw output files. The structure and variable naming conventions within these files are governed by the OpenMolcas v24.02 and SHARC 3.0 output specifications. Key variables (such as energy gradients, transition moments, and populations) are identified using the standard internal labels of these packages., The terminology used in this dataset (e.g., CASSCF, MS-CASPT2, Active Space) follows the controlled vocabulary defined by the International Union of Pure and Applied Chemistry (IUPAC) and the technical specifications of OpenMolcas v24.0 (https://openmolcas.org/), SHARC 3.0 (https://sharc-md.org/?page_id=17) and JANPA (https://janpa.sourceforge.net/), This work investigates how electronic excitation and nuclear motion jointly influence core-level chemical shifts in molecules, using time-resolved X-ray photoelectron spectroscopy (tr-XPS). By combining state-of-the-art free-electron laser experiments with high-level theoretical simulations, the study focuses on fluoropyridine (C5_55H4_44FN) as a model system. The evolution of the chemical environment at the nitrogen and fluorine atomic sites is monitored during relaxation from the photoexcited S1S_1S1 state to the ground state through a conical intersection. The results reveal a strong site-specific response: while the fluorine site predominantly reflects vibrational relaxation and is largely insensitive to electronic excitation, the nitrogen site exhibits a clear photoinduced chemical shift and enhanced sensitivity to local vibrational motions. This behavior is traced back to a redistribution of electronic charge upon excitation, which modifies Coulomb interactions involving the nitrogen 1s core electron. These findings demonstrate the capability of tr-XPS to disentangle electronic and nuclear contributions to ultrafast chemical dynamics and highlight its potential for studying conical intersection pathways in complex systems such as DNA bases and light-harvesting materials., CEX2024-001445-S and PID2024-157663NB-I00, DATA-SPECIFIC INFORMATION 1. Number of variables: -Partial_charge_model_for_TRXPS.tar.gz: 2 -N_edge_TRXPS_analysis.tar.gz: 3 -F_edge_TRXPS_analysis.tar.gz: 3 -Geometrical analysis: 34 -Dipole_moment_dynamic.tar.gz: 10 -Population_analysis_68_trajectories.tar.gz: 5 -Population_analysis_10_trajectories.tar.gz: 5 2. Number of cases/rows: -Partial_charge_model_for_TRXPS.tar.gz: 15 trajectories with a simulated time of 1 picosecond (1000 geometries). -N_edge_TRXPS_analysis.tar.gz: 10 trajectories with a simulated time of 600 femtoseconds (600 geometries) and 1 trajectory which serves as a ground state trajectory for simulating the depletion (taking the average only). -F_edge_TRXPS_analysis.tar.gz: 10 trajectories with a simulated time of 600 femtoseconds (600 geometries) and 1 trajectory which serves as a ground state trajectory for simulating the depletion (taking the average only). -Geometrical_analysis.tar.gz: 68 trajectories with a simulated time range between 600 femtoseconds (600 geometries) and 1 picosecond (1000 geometries) and 1 trajectory which serves as a ground state trajectory for a reference for the geometrical analysis. -Dipole_moment_dynamic.tar.gz: 10 trajectories with a simulated time of 600 femtoseconds (1200 geometries) and 2 with 1000 femtoseconds (2000 geometries). -Population_analysis_68_trajectories.tar.gz: 68 files with a simulated time range between 600 femtoseconds (600 geometries) and 1 picosecond (1000 geometries). -Population_analysis_10_trajectories.tar.gz: 68 files with a simulated time of 600 femtoseconds (600 geometries). 3. Variable List: -Partial_charge_model_for_TRXPS.tar.gz: NPA energy in electronvolts (eV) and time in femtoseconds (fs). -N_edge_TRXPS_analysis.tar.gz: Dyson intensities in arbitrary units, binding energy of the core electron ionization in electronvolts (eV) and time in femtoseconds (fs). -F_edge_TRXPS_analysis.tar.gz: Dyson intensities in arbitrary units, binding energy of the core electron ionization in electronvolts (eV) and time in femtoseconds (fs). -Geometrical analysis: each spatial coordinate (X, Y, Z) of each atom (11 atoms) in angstrom (Å) and time in femtoseconds (fs). -Dipole_moment_dynamic.tar.gz: Energy of the molecule in hartree (Ha), molecular dipole moment vetor in arbitrary units (arb. u.), number of state and time in femtoseconds (fs). -Population_analysis_68_trajectories.tar.gz: Population of each state (normalised to 1), time in femtoseconds (fs) and number of state -Population_analysis_10_trajectories.tar.gz: Population of each state (normalised to 1), time in femtoseconds (fs) and number of state, Peer reviewed, Sin experimentacion animal ni uso de NAMs

Background Salinity is a major ecological driver in aquatic environments and strongly infl uences the physiology,distribution, and survival of fi sh species. While many fi shes are restricted to narrow salinity ranges,euryhaline species can tolerate large osmotic fl uctuations despite the substantial physiologicaladjustments required. The Spanish toothcarp, Aphanius iberus , an endemic Mediterranean killifi sh, is oneof such exceptional species capable of inhabiting environments ranging from freshwater to hypersalinesystems. However, despite this remarkable resilience, the molecular mechanisms underlying salinitytolerance and osmoregulatory plasticity in this species remain poorly understood. Results We analyzed using RNA sequencing transcriptomes from the gills and gastrointestinal tract ofindividuals from four wild populations spanning a natural salinity gradient from freshwater (0.75 PSU) tobrackish (5-10 PSU) and hypersaline (~50 PSU) habitats. Differential gene expression analyses revealedstrong tissue-specifi c patterns and environment-dependent responses. A substantially higher number ofdifferentially expressed genes was detected in the gills, where genes associated with ion transport,cytoskeletal remodeling, and energetic metabolism varied across salinity conditions, refl ecting theircentral role in osmoregulation. In the gastrointestinal tract, pathways related to lipid and carbohydratemetabolism were enriched, particularly in brackish populations. In addition, several genes associatedwith osmotic stress responses, including ATPases, histones, and transposable elements, showedsignifi cant expression differences across populations. Conclusions These fi ndings offer novel insights into the molecular architecture of salinity tolerance in euryhalinefi shes, highlighting coordinated transcriptional responses across tissues involved in ion regulation andmetabolic adjustment and improving our understanding of how euryhaline fi shes cope with extreme andfl uctuating osmotic environments. From a conservation perspective, identifying the molecular basis ofthis physiological plasticity contributes to the management of this highly threatened endemic speciesand the dynamic coastal habitats it inhabits., Ministerio de Ciencia, Innovación y Universidades (España), Agencia Estatal de Investigación (España), Fundación la Caixa, Universidad de Alcalá, Universidad Complutense de Madrid, Generalitat Valenciana, Universidad de Murcia, Universidad de Almería, Centro de Supercomputación de Galicia, Peer reviewed

Dataset corresponding to the figures of articles: Phytic Acid-Based Deep Eutectic Solvents for Metal Extraction from Lithium Cobalt Oxide and Nickel Manganese Cobalt and the Use of the Resulting Leachates as Electrolytes for 2.0 V Supercapacitors; Xu, Boren et al.; ChemSusChem 2025, 18 (24), e202501306, DOI 10.1002/cssc.202501306, Dataset for experiments in publication DOI:10.1002/cssc.202501306; Xu, Boren et al.; 2025; Phytic Acid-Based Deep Eutectic Solvents for Metal Extraction from Lithium Cobalt Oxide and Nickel Manganese Cobalt and the Use of the Resulting Leachates as Electrolytes for 2.0 V Supercapacitors; https://doi.org/10.1002/cssc.202501306 [Dataset];, Data for this article, including data presented in gures and tables have been included as part of the SI. Experimental procedures, tables with different data (physicochemical properties, NMR chemical shis, etc.), NMR, ATR and NIR spectra, RDFs from MD simulations, and electrochemical results (CVs, GCDs, Nyquist plots, etc.). See DOI: https://doi.org/10.1039/d5ta04796j., Peer reviewed

The aim of this paper is to demonstrate a method for exploring the conditions inherent to mobility within a landscape, as a means of broadening our understanding of the role of human movement in archaeology. Specifically, it is based on the application of a tool, Omniscape, developed in the field of ecology, which to date has barely been utilised in archaeology. As we shall attempt to demonstrate, it holds great potential to overcome some of the common limitations in the digital modelling of mobility in archaeology. After briefly reviewing these limitations, we outline the operating principles of Omniscape and illustrate the type of results it produces using three ideal control surfaces. Finally, an archaeological case study regarding the distribution of burial mounds in an area of NW Iberia is presented, to illustrate possible ways of utilising the results for tackling specific archaeological questions., FPU21/01057, Peer reviewed

This dataset contains the input data, R scripts, and model outputs required to reproduce the RothC-based soil organic carbon modelling workflow developed for an organic olive grove field experiment in Jumilla, southeastern Spain. The dataset includes data and code for: (i) historical RothC spin-up and SOC pool initialization, (ii) forward simulations for Control, Compost, Biochar, and Compost–Biochar Mixture treatments, and (iii) kinetic parameter inversion from laboratory incubation data for exogenous organic matter decomposition. The repository includes raw and processed SOC measurements, monthly climate and irrigation data, amendment application schedules, treatment-specific plant C inputs derived from aboveground biomass estimates, incubation CO₂-C release data, and fitted kinetic parameters. The R scripts are organized as a reproducible workflow and generate the SOC trajectories, treatment-level model outputs, incubation model fits, and diagnostic files used to support the manuscript., Modelling the persistence of soil organic carbon (SOC) is currently recognised as a key approach to enhance our understanding of its potential contribution to climate change mitigation. Despite its value, SOC modelling is challenged by soil heterogeneity and the limited availability of reliable data for model calibration and validation, often resulting in discrepancies between simulated and measured SOC dynamics. This study employs a modified version of the RothC model, adapted for amended soils, to simulate soil C dynamics under an 11-year experiment in an organic olive grove. The experiment evaluated four treatments of soil amendment: Compost, Biochar, a Mixture of both, and a control soil without amendment. By comparing the SOC data simulated by the RothC model with experimental field-sampling data, we assessed the model’s accuracy in estimating SOC accumulation and stability in the soil. Both field measurements and RothC simulations consistently identified biochar as the most effective amendment for soil carbon accumulation over the 11-year period, followed by the Mixture and Compost treatments. Estimated soil carbon sequestration rates ranged from 1.67 to 2.66 Mg C ha⁻¹ yr⁻¹ based on field measurements and from 2.98 to 5.34 Mg C ha⁻¹ yr⁻¹ according to model simulations. However, treatment-dependent discrepancies were observed between modelled and field-based SOC stocks. While Compost and Mixture showed close agreement, Biochar exhibited the largest mismatch, likely due to its intrinsic properties that complicate field quantification and are not fully represented in current SOC models, posing challenges for monitoring and verification within carbon accounting frameworks., Peer reviewed

Founded by Project TEC-2024/ECO-121 (H2ECOTECH-CM) financed by “Programa de Actividades de I+D en Tecnologías 2024” from Comunidad de Madrid in Spain”, No

Supplementary Figures showing results for every Ancestral State Reconstruction analysis performed for discrete and continuous characters, This work was supported by the grant CGL2013-40924-P to David Vieites from the Ministerio de Economía y Competitividad, and a FPU predoctoral fellowship from the Ministerio de Educación to Raquel Ponti, No

Data from: An experimental extreme drought reduces the likelihood of species to coexist despite increasing intransitivity in competitive networks.- Matías L, Godoy O, Gómez‐Aparicio L, Pérez-Ramos I (2018) An experimental extreme drought reduces the likelihood of species to coexist despite increasing intransitivity in competitive networks. Journal of Ecology 106(3): 826-837. https://doi.org/10.1111/1365-2745.12962 .- Data available from the Dryad Digital Repository: https://doi.org/10.5061/dryad.5d1s9 (Matías, Godoy, Gómez-Aparicio, & Pérez-Ramos, 2018, Very little is known about how variation in environmental conditions alters the strength and the structure of competitive networks and what are the consequences of this for species coexistence. We performed a competition experiment with 10 annual plant species to parameterise a population model describing species’ dynamics according to their vital rates and pairwise competitive coefficients. Seeds from all species were sown under two different climatic scenarios: (1) right before the first major storm of the growing season and (2) after an imposed fall drought of 2 months simulating an extreme climatic event of intense aridity. Species’ demography and competitive responses were used to estimate pairwise stabilising niche differences and average fitness differences. In addition, we used tools from network theory to characterise the structure of multispecies competition from the determinants of species coexistence. Specifically, we evaluated changes in competitive dominance between species pairs, and the prevalence of intransitive competitive relationships for 120 triplets between these two climatic events. The experimental extreme event significantly reduced fitness differences between species pairs. Such an equalising mechanism promotes coexistence. However, niche differences were also reduced in such a way that the number of species pairs whose niche differences overcame their fitness differences was reduced from six to two. Contrary to our expectations, the extreme event did not increase the hierarchy of competitive dominance. Instead, and depending on the technique used, the prevalence of intransitivity remained marginally similar (17% to 22%) or significantly increased from 19.4% to 29.8%. This pattern was likely a consequence of the significant changes in competitive dominance between species pairs (26 changes out of 45; 58%). Although fitness differences were equalised and intransitive competition promoted, our model predicted a lower likelihood of coexistence under the extreme event for both species pairs and triplets, mainly because competitive interactions did not promote enough niche differences to balance the observed fitness asymmetries in our competitive networks. Synthesis. We empirically proved that an extreme climate results in communities with reduced niche and fitness differences in which species are less likely to coexist despite the increasing prevalence of intransitive competition., Was funded by a Juan de la Cierva grant (FPDI-2013-15867). O.G. acknowledges postdoctoral financial support provided by the Spanish Ministry for Education and Science (Juan de la Cierva, JCI-2012-12061), and by the European Union Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 661118-BioFUNC. Funding support to conduct the experiment was provided by the Spanish Ecological Terrestrial Society (AEET, Jóvenes Investigadores grant 2014/2). L.G.-A. acknowledges support from the MICINN project INTERCAPA (CGL-2014-56739-R) and European FEDER Funds. I.M.P.-R thanks the funding provided by the Ramón & Cajal Research Programme (RYC-2013-13937) and the Spanish MINECO project DECAFUN (CGL2015-70123-R)., Peer reviewed

Mantellid frogs present an extensive adaptive radiation endemic to Madagascar and Comoros, being the subfamily Mantellinae the most morphologically and ecologically diverse. The Mantellinae present key innovative evolutionary traits linked to their unique reproductive behavior, including the presence of femoral glands and a derived vomeronasal organ. In addition, previous studies pointed to size differentiation in playing an important role in species’ dispersal capacities and shaping of their geographic ranges. Despite the high phenotypic variation observed in this clade, to date an exhaustive morphological analysis of their anatomy has still not been performed, much less in relation to internal structures. Here, we present a comprehensive skeletal description of a mantellid species, Blommersia transmarina, from the island of Mayotte in the Indian Ocean, which has potentially undergone a process of moderate gigantism compared to other Blommersia species. We describe its intraspecific skeletal variation utilizing non-destructive volume renderings from μCT-scans, and characterize the presence of sexual dimorphism and size covariation in skeletal structures. Notably, we found numerous signs of hyperossification, a novel structure for mantellids: the clavicular process, and the presence of several appendicular sesamoids. Our findings suggest that skeletal phenotypic variation in this genus may be linked to biomechanical function for reproduction and locomotion., Peer reviewed