BUSCADOR RECOLECTA

Dataset are structured following well-established data formats. Two files are provided and they are related to each other with the variable eventID. The first file (icts-rbd-FelisTracks_ev_20230915) contains the information of each event (time of occurrence, geographical coordinates or sampling effort); the second file (icts-rbd-FelisTracks_occ_20230915) contains the count of tracks for each species recorded in each site, numbers of tracks recorded and taxonomic classification., [Description of methods used for collection/generation of data] The long-term monitoring of carnivore tracks in Doñana is part of a harmonised protocol for the Long-term Ecological Monitoring Program of Natural Resources and Processes targeting mammals' populations. The general aim of this protocol is to study the temporal evolution of the relative density of the main species of carnivores in the main habitats of the Doñana National Park. Tracks surveys were done annually after the first rains of the hydrological year, i.e. the first autumn rains, usually in October. Due to climate change, in recent years the rainy season has been delayed until the beginning of the year. This protocol has stablished in 2007 and it has done annually until the present (2022), except in 2021 when due to logistical problems no census was made. Censuses are carried out through 12 prefixed transect, with sand substrate, in Doñana National Park. Each transect consists of a 2 km of length and 1.5 m of width that is done by a car at a constant speed between 10 and 15 km/h. Transects are cleaned the day before of the census with a metal beam to facilitate the read of the tracks and to ensure that the foot prints were from the previous day. Each transect is repeated in three consecutive days, and during the transect the sand is cleaned for the next day. In the census an expert in mammals’ tracks identifies all the tracks, i.e. groups of carnivore foot prints, and he/she records them in Cybertracker. That way, tracks' information like coordinates, hour, species identification and observation was recorded; and also the information of each transect was recorded: sampler, drivers, date, start and end (hour and coordinates). This method enables to calculate Kilometric Abundance Indexes (KAI) for each species and transect. In order to clarify all carnivore datasets, the data was separated by species, this allows concrete analysis by species. In this dataset Felis genus' data is presented., [Methods for processing the data] The data was recorded in CyberTracker sequence. The protocol used has been supervised by researchers and the data have been validated by the members who performed the sampling. The raw data was processed with Excel., The long-term monitoring of carnivore tracks in Doñana is part of a harmonised protocol for the Long-term Ecological Monitoring Program of Natural Resources and Processes targeting mammals' populations. The general aim of this protocol is to study the temporal evolution of the relative density of the main species of carnivores in the main habitats of the Doñana National Park. Tracks surveys were done annually after the first rains of the hydrological year, i.e. the first autumn rains, usually in October. Due to climate change, in recent years the rainy season has been delayed until the beginning of the year. This protocol has stablished in 2007 and it has done annually until the present (2022), except in 2021 when due to logistical problems no census was made. Censuses are carried out through 12 prefixed transect, with sand substrate, in Doñana National Park. Each transect consists of a 2 km of length and 1.5 m of width that is done by a car at a constant speed between 10 and 15 km/h. Transects are cleaned the day before of the census with a metal beam to facilitate the read of the tracks and to ensure that the foot prints were from the previous day. Each transect is repeated in three consecutive days, and during the transect the sand is cleaned for the next day. In the census an expert in mammals’ tracks identifies all the tracks, i.e. groups of carnivore foot prints, and he/she records them in Cybertracker. That way, tracks' information like coordinates, hour, species identification and observation was recorded; and also the information of each transect was recorded: sampler, drivers, date, start and end (hour and coordinates). This method enables to calculate Kilometric Abundance Indexes (KAI) for each species and transect. In order to clarify all carnivore datasets, the data was separated by species, this allows concrete analysis by species. In this dataset Felis genus´ data is presented., We acknowledge financial support from National Parks Autonomous Agency (OAPN) in 2007; the Singular Scientific and Technical Infrastructures from the Spanish Science and Innovation Ministry (ICTS-MICINN); the Ministry of Agriculture, Livestock, Fisheries and Sustainable Development from the Regional Government of Andalusia (CAGPDES-JA) since 2011; the Doñana Biological Station from the Spanish National Research Council (EBD-CSIC) since all the study period (2011); the Ministry of Environmetal sustainability and blue economy from the Regional Goverment of Andalusia since 2017 with the LIFE-ADAPTAMED project; Ministry of Science and Innovation (Recovery, Transformation and Resilence Plan); and the European Comision with the Long-term Ecosystem Research in Europe (eLTER) (a HORIZON funding coordination of the European funding programme for research and innovation) and NextGenerationEU funding., 1. icts-rbd-LynxTracks_ev_20230915: eventID, institutionCode, institutionID, datasetName, eventDate, year, month, day, verbatimEventDate, eventTime, country, continent, countryCode, stateProvince, county, municipality, locality, verbatimLocality, verbatimCoordinates, geodeticDatum, samplingProtocol, SampleSizeValue, sampleSizeUnit, samplingEffort and eventRemarks. 2. icts-rbd-LynxTracks_occ_20230915: eventID, occurrenceID, collectionCode, decimalLatitude, decimalLongitude dynamicProperties, basisOfRecord, recordedBy, occurrenceStatus, individualCount, identifiedBy, scientificName, verbatimScientificName, kingdom, phylum, class, order, family, genus, specificEpithet, scientificNameAuthorship, taxonRank, organismQuantity, organismQuantityType and occurrenceRemarks., Peer reviewed

General information for the experimental section; NMR spectra; equilibrium and kinetic analysis for complexes 11 and 12; structural analysis of complexes 9, 12b, 15c, 17, and 18; computational details; energies of optimized structures; observed and calculated UV–vis spectra of complexes 7–10 and 16–18; analysis of computed UV/vis data; theoretical analysis of molecular orbitals; cyclic voltammograms of complexes 7–10 and 16–18; and photophysical studies (PDF). Atomic coordinates of optimized complexes (XYZ)., Peer reviewed

Supplementary Figures 1-13. -- Supplementary Table 1: Primer used for site-directed mutagenesis in pB24kimA. -- Supplementary Table 2: Cryo-EM data collection, refinement and model statistics. -- Movie 1: Cooperativity Network mobility of CDs in the absence of c-di-AMP. Movie showing the dynamics of selected residues in the KimA cytosolic domain in the absence of c-di-AMP. Movie made over a single 2.2 μs simulation trajectory using VMD, region viewed as in figure 3a. -- Movie 2: Cooperativity Network mobility of CDs in the presence of c-di-AMP. Movie showing the dynamics of selected residues in the KimA cytosolic domain in the presence of two bound c-di-AMP. Movie made over a single 2.2 μs simulation trajectory using VMD, region viewed as in figure 3a. -- Cooperativity Network mobility of CDs in the presence of only one. Movie showing the dynamics of selected residues in the KimA cytosolic domain in the presence of only one bound c-di-AMP. Movie made over a single 0.5 μs simulation trajectory using VMD, region viewed as in figure 3a., Cyclic di-AMP_Supplementary_material.pdf, 41467_2023_38944_MOESM3_ESM.pdf, 41467_2023_38944_MOESM4_ESM.mpg, 41467_2023_38944_MOESM5_ESM.mpg, 41467_2023_38944_MOESM6_ESM.mpg, Peer reviewed

1. Screening 2. Representative procedure for the organocatalyzed hydrophosphonylation reaction of carbonyl compounds generated in situ after oxidation of the starting alcohols 3. Representative procedure for the organocatalyzed hydrophosphonylation reaction starting from aldehydes 4. 1H, 13C{1H}-APT and 31P{1H} NMR spectra 5. HPLC chromatograms for final α-hydroxyphosphonates 5, Peer reviewed

Peer reviewed

Complete experimental section; copies of 1H and 13C NMR spectra for all new compounds; copies of the absorption (UV–vis) and excitation/emission spectra of complexes 3–6; decay curves and fitting data for the determination of the half-life time of complexes 3–6; Cartesian coordinates of all new optimized complexes 3–6 in the ground state using the wB97XD and M06-2X functionals; Cartesian coordinates of S1 optimized geometries using the wB97XD and M06-2X functionals; tables of calculated orbital energies (Hartree) and metal participation, along with the HOMO–LUMO gap (eV) using the wB97XD and M06-2X functionals for the ground state of 3–6; tables with the calculated vertical transitions for the lowest T1, T2, T3, S1, and S2 excited states of 3–6 with the wB97XD and M06-2X functionals; tables with the calculated emission properties from the S1 optimized geometry for the lowest T1, T2, T3, S1, and S2 excited states of 3–6 with the wB97XD and M06-2X functionals; crystallographic tables of compounds 1a, 1e, 3c, 3d, 3g and 7h; and discussion of the structures of compounds 1a, 1e, 3c, 3d, 3g, and 7h., Peer reviewed

Complete EDA and QTAIM results, MP2 optimizations, and a text file of all computed molecule Cartesian coordinates in a format for convenient visualization., Peer reviewed

Cartesian coordinates of all optimized systems (xyz); benchmarking studies for the [N···I···N]+ halonium system; analysis of the molecular electrostatic potential; analysis of the interaction energies; and complete results of the energy decomposition analysis and structural searches., Peer reviewed

Under creative commons license CC-BY 4.0., Combined data on the migration of the studied standards (m.d. or RF) and UV spectra on silica gel. Migration of standards under different conditions and their recorded on-silica gel UV spectra. UV spectra of the separate peaks were consistent with those of the model compounds studied.-- Fig. 1S Migration distance (m.d. in mm, RF = migration distance of analyte / migration distance of the elution front) of studied standards in classic SARA. Fig. 2S Migration distance (m.d. in mm, RF = migration distance of analyte / migration distance of the elution front) of studied standards in 23-step THF‒DCM‒C7 AMD gradient. Fig. 3S On silica UV spectra of some studied standards: A) 1-octadecene, B) Tetralin, C) 9,10-Dihydrophenanthrene, D) Ethyl-naphthalene, E) Pyrene, F) Benzo (ghi) perylene., Authors thank TOTAL RM (France) for financial support for this project., Peer reviewed

1 table. -- Table S1 caption. Description of the major NPIs considered., Peer reviewed