Resultados totales (Incluyendo duplicados): 46471
Encontrada(s) 4648 página(s)
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340485
Dataset. 2023

THE SEISMIC STRATIGRAPHY OF THE ADRA DELTA SUBMARINE SYSTEM: CLUES ABOUT THE PROGRESSIVE TRANSFORMATION OF A SMALL DELTAIC SYSTEM IN RESPONSE TO CLIMATIC CHANGES AND ANTHROPOGENIC FORCINGS

  • Bárcenas-Gascón, Patricia
  • Lobo, Francisco José
  • Fernández-Salas, L.M.
  • Mendes, Isabel
  • López-González, Nieves
  • Macías, Jorge
[Description of methods used for collection/generation of data] Los datos batimétricos se obstuvieron con ecosonda multihaz en las campañas ESPACE02 y MOSAICO0509. Los persiles sísmicos de alta resolución se obtuvieron en la campaña MOSAICO0908 con Uniboom seismic.Los testigos de sedimento se obtuvieron en la campaña MOSAICO 1108., [Methods for processing the data] Los datos batimétricos de la campaña ESPACE02 se procesaron con el software Neptune y los obtenidos en la campaña MOSAICO0509 se procesaron con el software Caraibes. Posteriormente, los datos batimétricos se integraron en un sistema de información geográfica. Los datos sísmicos se procesaron e interpretaron con el software Kingdom™ Suite. A las muestras de sedimentos se realizaron análisis granulométricos y dataciones con radiocarbono., [EN] The formation and development of a small Mediterranean deltaic system are investigated through a primary seismic stratigraphic interpretation of a high-resolution seismic profile network, combined with multiple bathymetric data (including multibeam bathymetric imagery) and collated with shallow sediment cores collected with a vibro-corer device. The submarine delta of the Adra River is divided into a basal patchy seismic unit and five wedge-shaped younger seismic units that are related to the Holocene highstand stabilization. Limited age control indicates that the two uppermost seismic units are very recent, most likely related to a dearth of fluvial fluxes led by channel deviations and by sediment retention. The formation of the three older seismic units is correlated to three humid periods during the middle Holocene, late Holocene and Little Ice Age, under a general context of progressive aridification of southeastern Iberia. The stacking patterns and spatial distribution of individual seismic units document a history of episodic progradation of successive prodeltaic lobes, with a long-term evolution mediated by climatically-induced changes in the river basin and more recent anthropogenic interventions. Overall, the prodeltaic system registers the complete modification of a deltaic system that evolves from a fluvial-dominated delta to recent wave-dominated wedges. In between, the deltaic system exhibits a progressive asymmetric character, due to the instauration of Atlantic waters on the shelf and their subsequent eastward redistribution. The Adra deltaic system is proposed as an outstanding example of a small deltaic system that reacts almost immediately to the complex interaction between natural changes in the system and anthropogenic interventions in the drainage basin., [ES] La formación y la evolución de un pequeño sistema deltaico mediterráneo se ha estudiado mediante la interpretación estratigráfica de una red de perfiles sísmicos de alta resolución, combinada con múltiples datos batimétricos (incluidas datos de batimetria multihaz) y cotejada con testigos de sedimentos someros recogidos con vibro-corer. En el delta submarino del río Adra se diferencia una unidad sísmica basal y cinco unidades sísmicas más jóvenes en forma de cuña que están relacionadas con la estabilización del alto nivel del Holoceno. A partir de las dataciones realizadas se observa que las dos unidades sísmicas superiores son muy recientes, muy probablemente relacionadas con una disminución en los aportes fluviales provocada por las desviaciones del cauce y por la retención de sedimentos. La formación de las tres unidades sísmicas más antiguas se correlaciona con tres periodos húmedos durante el Holoceno medio, el Holoceno tardío y la Pequeña Edad de Hielo, en un contexto general de progresiva aridificación del sureste de Iberia. Los patrones de sedimentación y la distribución espacial de las unidades sísmicas indican una progradación episódica de sucesivos lóbulos prodeltaicos , con una evolución a largo plazo en la cuenca fluvial mediada por cambios climáticos y más recientemente por intervenciones antropogénicass. En conjunto, el sistema prodeltaico registra la modificación de un sistema deltaico que evoluciona en principio como un delta dominado por flujos fluviales hasta cuñas recientes dominadas por el oleaje. Entre medias, el sistema deltaico muestra un carácter asimétrico progresivo, debido a la influencia de las aguas atlánticas en la plataforma y su posterior redistribución hacia el este. El sistema deltaico del río Adra se propone como ejemplo de un pequeño sistema deltaico que reacciona de forma casi inmediata a la compleja interacción entre los cambios naturales del sistema y las intervenciones antropogénicas en la cuenca de drenaje., "Modelado, simulación numérica y análisis del transporte de sedimentos en los abanicos submarinos de los ríos de Andalucía oriental” (acrónimo: MOSAICO), financiado por la Junta de Andalucía (http://anamat.cie.uma.es/mosaico). "Estudio sistemático de la plataforma continental y talud superior españoles (Proyecto ESPACE)", financiado por la Secretaría General de Pesca. Ministerio de Agricultura, Pesca y Alimentación., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/340485, https://doi.org/10.20350/digitalCSIC/15706
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340485
HANDLE: http://hdl.handle.net/10261/340485, https://doi.org/10.20350/digitalCSIC/15706
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340485
PMID: http://hdl.handle.net/10261/340485, https://doi.org/10.20350/digitalCSIC/15706
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340485
Ver en: http://hdl.handle.net/10261/340485, https://doi.org/10.20350/digitalCSIC/15706
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340485

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340486
Dataset. 2023

SUPPLEMENTARY DATA RELATED TO RECONSTRUCTING MIGRATORY NETWORK NODES TO IMPROVE ENVIRONMENTAL MANAGEMENT AND CONSERVATION DECISIONS: A CASE STUDY OF THE COMMON QUAIL COTURNIX COTURNIX AS A BIOSENSOR

  • Sáez, David
  • Spina, Fernando
  • Margalida, Antoni
  • Serra, Lorenzo
  • Volponi, Stefano
  • Nadal, Jesús
Supplementary 1. Quail Coturnix coturnix migratory trajectories for reproduction categories. Red arrows show the trajectories of individual birds. Yellow arrows show the average trajectory of each category., Supplementary 2. Representation of the Rayleigh tests for each reproduction categories. Blue bars show group trajectories, and red arrows show the average trajectory., Supplementary 3. Land uses in Europe according to statistics (eurostat) and Corine (Coordination Information on the environment)., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/340486
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340486
HANDLE: http://hdl.handle.net/10261/340486
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340486
PMID: http://hdl.handle.net/10261/340486
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340486
Ver en: http://hdl.handle.net/10261/340486
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340486

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340489
Dataset. 2023

EXPERIMENTAL DATA FOR MANUSCRIPT AGROBACTERIUM TUMEFACIENS-MEDIATED TRANSFORMATION FOR THE GENETIC MODIFICATION OF THE BIOTECHNOLOGICALLY RELEVANT FUNGUS ASPERGILLUS VADENSIS THROUGH SYNTHETIC BIOLOGY

  • Ropero Pérez, Carolina
  • Manzanares, Paloma
  • Marcos López, José Francisco
  • Garrigues, Sandra
The dataset is made available under the Open Database License. Any rights in individual contents of the database are licensed under the Database Contents License. Please, read the full ODbL 1.0 license text for the exact terms that apply. Users of the dataset are free to: Share: copy, distribute and use the database, either commercially or non-commercially. Create: produce derivative works from the database. Adapt: modify, transform and build upon the database. Under the following conditions: Attribution: You must attribute any public use of the database, or works produced from the database. For any use or redistribution of the database, or works produced from it, you must make clear to others the license of the original database. Share-Alike: If you publicly use any adapted version of this database, or works produced from an adapted database, you must also offer that adapted database under the ODbL., This work was supported by the Severo Ochoa Excellence Program CEX2021-001189-S, grant PID2021-125858OB-100, and a Juan de la Cierva Incorporación grant (IJC2020-042749-I) funded by MCIN/AEI/ 10.13039/501100011033, “ERDF A way of making Europe” and ‘NextGenerationEU’/PRTR’. CR-P holds a predoctoral grant (ACIF/2021/364) funded by Conselleria d’Educació (Generalitat Valenciana, Comunitat Valenciana, Spain)., With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX 2021-001189-S), Peer reviewed

DOI: http://hdl.handle.net/10261/340489, https://doi.org/10.20350/digitalCSIC/15707
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340489
HANDLE: http://hdl.handle.net/10261/340489, https://doi.org/10.20350/digitalCSIC/15707
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340489
PMID: http://hdl.handle.net/10261/340489, https://doi.org/10.20350/digitalCSIC/15707
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340489
Ver en: http://hdl.handle.net/10261/340489, https://doi.org/10.20350/digitalCSIC/15707
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340489

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340496
Dataset. 2022

DATA FROM: INTEGRATED WILDLIFE MONITORING, A PILOT TRIAL IN SPAIN

  • Barroso, Patricia
  • Relimpio Peral, David
  • Zearra, Jon Ander
  • Cerón, José J.
  • Palencia, Pablo
  • Cardoso, Beatriz
  • Ferreras-Colino, Elisa
  • Escobar González, María
  • Cáceres, Germán
  • López-Olvera, Jorge R.
  • Gortázar, Christian
Files include the data necessary for the estimation of the population density by REM (DataREMZenodo.xlsx), data on indirect interactions recorded by camera traps at the pilot monitoring site level (DataIntZenodo.xlsx), and the metadata of the images (Metadata_imagesbyPP.xlsx)., This study aims to report the implementation of the first nationwide pilot trial of balanced IWM in Europe, using a network of 11 pilot monitoring sites in Spain. The insights obtained in this pilot IWM trial will help to further develop a comprehensive IWM and serve as a reference for implementing IWM systems in other regions. For this purpose, a grid of 20 camera traps (Browning Strike Force HD ProX, Browning Arms Company®, Morgan, Utah, USA) was deployed for two months at each study site (n=11). REM was applied to wild boar (Sus scrofa), red deer (Cervus elaphus), and red fox (Vulpes vulpes) as the most frequently detected species. Relative abundance indexes, namely trapping rate and relative occupancy index, were calculated for the remaining, less frequently detected species., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/340496
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340496
HANDLE: http://hdl.handle.net/10261/340496
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340496
PMID: http://hdl.handle.net/10261/340496
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340496
Ver en: http://hdl.handle.net/10261/340496
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340496

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340499
Dataset. 2023

METADATA FOR RNASEQ PROJECT ANALYSING DIFFERENTIAL EXPRESSION IN CULEX PIPIENS MOSQUITOES INFECTED BY TWO AVIAN PLASMODIUM SPECIES

  • Garrigós, Marta
  • Ylla, Guillem
  • Martínez de la Puente, Josué
  • Figuerola, Jordi
  • Ruiz-López, María José
[Description of methods used for collection/generation of data] We collected birds infected by Plasmodium cathemerium and Plasmodium relictum and uninfected birds. We collected mosquito larvae that were raised in the lab. Adult mosquitoes were divided in 3 groups allowed them to feed overnight on a P. relictum-infected bird, a P. cathemerium-infected bird and an uninfected control bird. For transcriptome analyses, we processed mosquitoes at three time points after exposure, 24 hours post-infection (hpi), 10 days post-infection (dpi) and 21 dpi. At each time point, we created pools of 5 mosquitoes of each infection status capturing the mosquitoes alive and immediately transferring them to dry ice. We preserved the mosquitoes at -80ºC until RNA extractions were carried out. We collected a total of 36 samples including controls (4 pools x 3 time points x 3 conditions). We extracted RNA and DNA from pools of 5 mosquitoes using TRIzol® (Invitrogen, Carlsbad, CA, USA) followed by column purification using RNeasy mini kit® (QIAGEN, Hilden, Germany). RNA samples were submitted to the Polo d’Innovazione di Genomica, Genetica e Biologia, Siena (Italy) where library preparation and sequencing were carried out., [Methods for processing the data] Illumina sequencing and RNAseq pipeline available with the published paper., Metadata describing the experimental conditions of an RNA seq experiment that aims to analyse the differential gene expression of Culex pipiens when exposed to either Plasmodium relictum or Plasmodium cathemerium. The data includes the information of the corresponding project published at the European Nucleotide Archive (https://www.ebi.ac.uk/ena/browser/view/PRJEB41609), sample IDs and the links to the generated fasta files., This publication was supported by the project Research Infrastructures for the control of vector-borne diseases (Infravec2), which has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement No 731060., Peer reviewed

Proyecto: EC/H2020/731060
DOI: http://hdl.handle.net/10261/340499, https://doi.org/10.20350/digitalCSIC/15708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340499
HANDLE: http://hdl.handle.net/10261/340499, https://doi.org/10.20350/digitalCSIC/15708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340499
PMID: http://hdl.handle.net/10261/340499, https://doi.org/10.20350/digitalCSIC/15708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340499
Ver en: http://hdl.handle.net/10261/340499, https://doi.org/10.20350/digitalCSIC/15708
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340499

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340511
Dataset. 2023

FLOWER REFLECTANCE SPECTRA

  • Rodríguez-Sambruno, Cristina
  • Narbona, Eduardo
  • del Valle, José Carlos
  • Valido, Alfredo
1. Description of methods used for collection/generation of data: The flower reflectance spectra were made with USB-2000 and Jaz A1465 Ocean Optics spectrophotometers (Duiven, The Netherlands) equipped with a top sensor system deuterium-halogen standardized light source, DT-MINI-GS-2 and DH-2000 lamps, respectively, and a coaxial fibber cable (QR-400-7-UV-VIS-BX; Ocean Optics). Reflectance corresponds to the proportion of a standard white reference tile (WS-1-SS; Ocean Optics). For all measurements, we kept the distance between the petals and the measuring probe constant and with an angle of illumination and reflection fixed at 45°. Spectra data were processed with OceanView software (version 2.0.8; Ocean Optics) and calculated in 5-nm wide spectral intervals in the range of 300–700 nm. 2. Methods for processing the data: We used the ‘getspec’ function of the ‘pavo’ R-package to load the colour spectral data between 300 and 700 nm of each flower. To reduce noise, the data was smoothed with a span of 0.25 and negative values were corrected by setting the minimum value to zero and scaling other values accordingly (‘procspec’ function). 3. Instrument- or software-specific information needed to interpret/reproduce the data, please indicate their location: USB-2000 and Jaz A1465 Ocean Optics spectrophotometers (Duiven, The Netherlands) equipped with a top sensor system deuterium-halogen standardized light source, DT-MINI-GS-2 and DH-2000 lamps, respectively, and a coaxial fibber cable (QR-400-7-UV-VIS-BX; Ocean Optics). Reflectance corresponds to the proportion of a standard white reference tile (WS-1-SS; Ocean Optics). Spectra data were processed with OceanView software (version 2.0.8; Ocean Optics). 4. Standards and calibration information, if appropriate: Reflectance corresponds to the proportion of a standard white reference tile (WS-1-SS; Ocean Optics)., 1. Many insular plant species inhabiting different archipelagos worldwide present typical ornithophilous floral traits (e.g., copious nectar, red-orange colours), but most of them are visited by insectivorous/granivorous birds and lizards, which act as generalist pollinators. Oceanic islands promote these ecological interactions mainly due to the scarcity of arthropods. Our goal is to understand how these generalist interactions contribute to the shift of floral traits from entomophily (mainland) to ornithophily or saurophily (island), where specialist nectar-feeding birds have not inhabited. 2. We used the well-known pollination interactions occurring in the Canary Islands to evaluate two proposed ecological hypotheses, bee-avoidance or bird-attraction, explaining evolutionary transitions of floral traits. Specifically, we studied the flower colour conspicuousness of bird-pollinated Canarian species visited by birds and lizards with their closest relatives from the mainland mainly visited by bees. We analysed the chromatic contrast of flower colours using visual models of bees, birds, and lizards and the achromatic contrast in visual models of bees. We also compared reflectance spectra marker points of flowers with available spectral discrimination sensitivities of bees and birds. 3. Using a phylogenetically corrected framework of independent plant lineages, our results revealed that bird-pollinated Canarian species showed lower chromatic contrast according to bees and lizard visual models than their mainland relatives, but similar chromatic contrast for bird vision. In addition, reflectance spectra marker points of the Canarian species were displaced to the longest wavelengths, far from the wavelengths of maximum discrimination of bees, but close to birds. 4. We conclude that the avoidance of bees would be a primary ecological strategy explaining the evolutionary transitions of flower colours from melittophily to ornithophily. The lower conspicuousness of bird-pollinated Canarian flowers in lizards is perhaps a side effect of the bee-avoidance strategy rather than an independent evolutionary strategy. Together, these findings provide insights into how vertebrate generalist pollinators can also lead to divergence of floral traits in insular habitats, but also in other arthropod-poor habitats., Fundación CajaCanarias/La Caixa (2022CLISA29), Spanish Ministry of Science and Innovation (PID2020-116222GB-100)., Flower reflectance data, Peer reviewed

DOI: http://hdl.handle.net/10261/340511, https://doi.org/10.20350/digitalCSIC/15709
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340511
HANDLE: http://hdl.handle.net/10261/340511, https://doi.org/10.20350/digitalCSIC/15709
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340511
PMID: http://hdl.handle.net/10261/340511, https://doi.org/10.20350/digitalCSIC/15709
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340511
Ver en: http://hdl.handle.net/10261/340511, https://doi.org/10.20350/digitalCSIC/15709
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340511

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/346362
Dataset. 2023

APPENDIX A. SUPPLEMENTARY DATA FOR BIFUNCTIONAL TICO ELECTROCATALYSTS BASED ON N-DOPED GRAPHENE CRYOGELS FOR THE OXYGEN EVOLUTION AND REDUCTION REACTIONS [DATASET]

  • Luque-Centeno, José Manuel
  • Martínez Huerta, M. Victoria
  • Sebastián del Río, David
  • Baglio, Vincenzo
  • Lázaro Elorri, María Jesús
Under a Creative Commons license BY 4.0 deed., Table S1. Raman shift (cm-1) of the G, D, D’ and D’’ from Raman spectra deconvolution and ID/IG intensity ratio. Table S2. Surface carbon, oxygen, nitrogen, cobalt and titanium contents and C/N, Co/N and Ti/N ratios calculated by XPS of the electrocatalysts and the relative content (%) of the deconvoluted peaks for N1s, Co2p and Ti2p. Figure S1. High-resolution C1s core level of NGC, Ti/NGC, Co/NGC and TiCo/NGC composites. Figure S2. LSV at 0.005 V s−1 in an O2-saturated 0.1 M NaOH solution, recorded using different electrode rotating rates indicated in the legend (rpm). (A) NGC, (B) Ti/NGC, (C) Co/NGC, (D) TiCo/NGC. Figure S3. Koutecky−Levich diagrams obtained between 0.3 and 0.56 V vs RHE for each composite. (A) NGC, (B) Ti/NGC, (C) Co/NGC, (D) TiCo/NGC. Figure S4. Koutecky−Levich diagrams obtained between 0.6 and 0.78 V vs RHE for each composite. (A) NGC, (B) Ti/NGC, (C) Co/NGC, (D) TiCo/NGC., The authors wish to acknowledge the grants PID2020-115848RB-C21 and PID2020-115848RB-C22 funded by MCIN/AEI/10.13039/501100011033, and the Spanish National Research Council (CSIC) through the i-LINK + Programme (i-LINK1106)., Peer reviewed

DOI: http://hdl.handle.net/10261/346362
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/346362
HANDLE: http://hdl.handle.net/10261/346362
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/346362
PMID: http://hdl.handle.net/10261/346362
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/346362
Ver en: http://hdl.handle.net/10261/346362
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/346362

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340534
Dataset. 2023

WELASER ROBOT LOGS EXECUTING VARIOUS MISSIONS BETWEEN JANUARY AND SEPTEMBER 2023

  • Emmi, Luis Alfredo
  • González-de-Santos, Pablo
[Description of methods used for collection/generation of data] The data were acquired during diverse missions executed by the WeLASER robot., This database presents diverse logs of the results of the tests developed with the WeLASER robot, over a period of 9 months, between January and September 2023, in 3 diverse experimental farms in Spain, The Netherlands and Denmark, in real crop fields, executing autonomous navigation operations. The logs include data collected by the robot's various guidance controllers, including the spiral controller and the lateral controller. The dataset also includes the log information already extracted, in two .mat files, and a MATLAB script that allows graphing and analyzing said information. This for the purpose of promoting transparency, reproducibility, and the sharing of our research findings., This dataset is part of a the WeLASER project that has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 101000256., The dataset is made up of: (a) a folder that includes all the logs of the different controllers executing various missions; (b) two .mat files that include the information extracted from said logs; and (c) a matlab script that allows graphing and analyzing the information contained in the two .mat files., Peer reviewed

DOI: http://hdl.handle.net/10261/340534, https://doi.org/10.20350/digitalCSIC/15710
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340534
HANDLE: http://hdl.handle.net/10261/340534, https://doi.org/10.20350/digitalCSIC/15710
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340534
PMID: http://hdl.handle.net/10261/340534, https://doi.org/10.20350/digitalCSIC/15710
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340534
Ver en: http://hdl.handle.net/10261/340534, https://doi.org/10.20350/digitalCSIC/15710
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340534

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340552
Dataset. 2023

CALCULATIONS OF THE THERMAL CONDUCTIVITY OF KNBO3 FROM FIRST-PRINCIPLES

  • Cazorla, Claudio
  • Bichelmaier, Sebastian
  • Escorihuela Sayalero, Carlos
  • Íñiguez, Jorge
  • Carrete, Jesús
  • Rurali, Riccardo
-Data were generetaed from February to August 2022._ -vcab_single,xml and kTsweek.xml are the input files for VCAbuilder and kTsweep, executables of the almaBTE package. The folder 'KNbO3' contains the force constants comouted wuth DFT and other files necessary to run the calculations. KNbO3_22_22_22_100_400.Tsweep is the output of kTsweep._ -Data were generetaed as detailed in the related article._ -Files can be opened and read with a simple text editor. The almaBTE code (freely available at https://almabte.bitbucket.io/) is needed to carry out the thermal conductivity calcualtions._, In this project we computed the thermal conductivity of three different crystal phases of a ferroelectric perovskite, KNO3. The R3c and the Amm2 are polar phase that are stable at low temperature and room temperature, respectively. The Pm-3m phase is stabilized by photoexcitation (which we effectively simulate with a larger broadening of the Fermi-Dirac distribution, i.e. 0.50 vs 0.01). Each folder contains the files necessary to carry out a thermal conductivity calculations with almaBTE (freely available at https://almabte.bitbucket.io/). The force constants were obtained with the DFT package VASP, as detailed in the related article., Thermal conductivity of (a) the Amm2 phase with a Fermi-Dirac broadening of 0.01; (b) the Pm-3m phase with a Fermi-Dirac broadening of 0.50; (3) the R3m phase with a Fermi-Dirac broadening of 0.01, Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/340552, https://doi.org/10.20350/digitalCSIC/15711
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340552
HANDLE: http://hdl.handle.net/10261/340552, https://doi.org/10.20350/digitalCSIC/15711
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340552
PMID: http://hdl.handle.net/10261/340552, https://doi.org/10.20350/digitalCSIC/15711
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340552
Ver en: http://hdl.handle.net/10261/340552, https://doi.org/10.20350/digitalCSIC/15711
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340552

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340563
Dataset. 2023

UNVEILING THE LATENT REACTIVITY OF THE CP* LIGAND (C5ME5-) TOWARDS CARBON NUCLEOPHILES ON AN IRIDIUM COMPLEX. SUPPORTING INFORMATION

  • Pita-Milleiro, Alejandra
  • Alférez, Macarena G.
  • Moreno, Juan J.
  • Espada, María F.
  • Maya, Celia
  • Campos, Jesús
The divergent reactivity of the cationic iridium complex [(η5-C5Me5)IrCl(PMe2ArDipp2)]+ (ArDipp2 = C6H3–2,6-(C6H3–2,6-iPr2)2) toward organolithium and Grignard reagents is described. The noninnocent behavior of the Cp* ligand, a robust spectator in the majority of stoichiometric and catalytic reactions, was manifested by its unforeseen electrophilic character toward organolithium reagents LiMe, LiEt, and LinBu. In these unconventional transformations, the metal center is only indirectly involved by means of the Ir(III)/Ir(I) redox cycle. In the presence of less nucleophilic organolithium reagents, the Cp* ligand also exhibits noninnocent behavior undergoing facile deprotonation, which is also concomitant with the reduction of the metal center. In turn, the weaker alkylating agents EtMgBr and MeMgBr effectively achieve the alkylation of the metal center. These reactive iridium(III) alkyls partake in subsequent reactions: while the ethyl complex undergoes β-H elimination, the methyl derivative releases methane by a remote C–H bond activation. Computational studies, including the quantum theory of atoms in molecules (QTAIM), support that the preferential activation of the non-benzylic C–H bonds takes place via sigma-bond metathesis., Peer reviewed

Proyecto: //
DOI: http://hdl.handle.net/10261/340563
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340563
HANDLE: http://hdl.handle.net/10261/340563
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340563
PMID: http://hdl.handle.net/10261/340563
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340563
Ver en: http://hdl.handle.net/10261/340563
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/340563

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