Resultados de investigación

Full process of preparation of single crystals; powder patterns; IR spectra; molecular structures; hydrogen bonding system; and geometric parameters., Peer reviewed

Supporting Information File 1: Computational methods, energies, and Cartesian coordinates., Peer reviewed

Experimental section, structural analysis, computational details and energies of optimized structures, experimental and computed UV/vis spectra, cyclic voltammograms, molecular orbitals, normalized excitation and emission spectra, and NMR spectra (PDF). Cartesian coordinates of the optimized structures (XYZ)., Peer reviewed

Experimental details; catalytic studies; and selected NMR spectra of the complexes, imines, and piperazines (PDF) Crystallographic data for complex [4]Cl (CIF) Crystallographic data for piperazine 6a (CIF) Crystallographic data for piperazine 6d (CIF) Crystallographic data for piperazine 6i (CIF), Peer reviewed

Supporting schemes including the preparation of AG-Co2+/A/G, AG-Co2+/A/E, and AG-Co2+/H; supporting figures including the distribution of agarose-activated microbeads with different functionalities, immobilization and thermal inactivation kinetics, enzyme desorption assays, confocal fluorescence microscopy images of AG-Co2+/A/G, spectra of intrinsic protein fluorescence, residual activity of HBs under operation conditions and consumed 1,5-pentanediol after 24 h by the soluble or coimmobilized enzymes; supporting tables including the activation degree of agarose microbeads, heterofunctional activation of agarose microbeads, abbreviation of the differently prepared supports, single-enzyme immobilization parameters on AG-Co2+/E microbeads, and thermal stability of soluble enzymes and individual residual activity of coimmobilized enzymes after five batch cycles., Peer reviewed

This data set contains Magnetic Transmission X-ray Microscopy images from a permalloy microstructure acquired at MISTRAL beamline (ALBA Synchrotron) that have been used to obtain the magnetic tomograms analyzed in the research paper "Bloch points and topological dipoles observed by X-ray vector magnetic tomography in a ferromagnetic microstructure" at Communication Physics (2023)., Peer reviewed

There is only one pdf called supp_material.pdf. It contains three sections: 1.- Derivation of a formula making infinitesimal rotations. 2.- A figure that shows the singlet-triplet energy splitting. 3.- A figure that shows how the exchange constant behaves as a function of the applied electric field and the total electric dipole on the junction., Peer reviewed

S1. Operational strategy flow chart: The operational strategy simplified flow chart of the main filling and refuelling events logic is shown in Figure S.1. Operational strategy simplified flow chart concerning the cascaded filling and refuelling processes of the HRS. Compressor C1 and the battery operational strategy is not shown. S2. One-day long simulation supplementary results: This section complementary results for the same simulation configuration of 8 daily HDFVs and 60 kg/day of demand and case c) of Figure 3 of the manuscript. Figure S.2: Compressors flow and power consumption. Simulation configuration: case c) with 60 kg/day and 8 HDFV per day. Results for the first day of January, 2016. Figure S.3: (A) left: direct beam irradiance. (A) right: photovoltaic power generation. (B) left: direct beam irradiance. (C) right: electrolyzer H2 flow rate production. (D) left: power balance of the HRS. (D) right: power balance of the HRS without the battery participation. (D) left: State-of-Charge of the battery. (D) right: power charging/discharging rate applied to the battery. Simulation configuration: case c) with 60 kg/day and 8 HDFV per day. Results for the first day of January, 2016. S3. One-year long simulation results: Figure S.4: H2 tanks pressure dynamic results of case c) with 60 kg/day and 8 HDFV per day. Results for one year of simulation (2016). Figure S.5: (A) left: direct beam irradiance. (A) right: photovoltaic power generation. (B) left: direct beam irradiance. (C) right: electrolyzer H2 flow rate production. (D) left: power balance of the HRS. (D) right: power balance of the HRS without the battery participation. (D) left: State-of-Charge of the battery. (D) right: power charging/discharging rate applied to the battery. Simulation configuration: case c) with 60 kg/day and 8 HDFV per day. Results for one year of simulation (2016). Figure S.6: (A) left: cumulative H2 production emissions in Spain [51]. (A) right: equivalent emissions of the photovoltaic generation in Spain [51]. (B) left: cumulative greenhouse gas emission intensity of H2 production in Spain [51]. (B) right: emission savings according to [51]. Simulation configuration: case c) with 60 kg/day and 8 HDFV per day. Results for one year of simulation (2016). Figure S.7: (A): cumulative HRS operation emissions due to power consumption/injection to the utility grid in Spain [51]. (B) left: cumulative greenhouse gas emission intensity of HRS operation in Spain [51]. (B) right: emission savings according to [51] considering all power loads and the photovoltaic and battery inputs of the model. Simulation configuration: case c) with 60 kg/day and 8 HDFV per day. Results for one year of simulation (2016).-- The ambient temperature is considered constant at 298 K..-- Under a Creative Commons license BY-NC-ND 4.0., S1 Operational strategy flow chart. S2 One-day long simulation supplementary results. S3 One-year long simulation results.-- S2: Results for the first day of January, 2016, in Zaragoza (Spain).-- S3: Results for one year of simulation (2016).-- MATLAB/SimulinkⓇ has been employed as the simulation platform., This research has been developed within the CSIC Interdisciplinary Thematic Platform (PTI+) Transición Energética Sostenible+ (PTI-TRANSENER+)[TRE2103000] as part of the CSIC program for the Spanish Recovery, Transformation and Resilience Plan funded by the Recovery and Resilience Facility of the European Union, established by the Regulation (EU) 2020/2094; project MASHED [TED2021-129927B–I00] funded by MCIN/AEI/10.13039/501100011033 and by the European Union NextGenerationEU/PRTR; and the project MAFALDA [PID2021-126001OB-C31] funded by MCIN/AEI/10.13039/501100011033 and by ERDF A way of making Europe., Peer reviewed

Experiment performed in the lab, following details described in the publication https://doi.org/10.1007/s10526-023-10212-7, Grant PID2019-104112RB I00 from Ministry of Science and Innovation (MCIN/AEI/10.13039/50110001103). Grant RYC-2016-19939 funded by Ministry of Science and Innovation (MCIN/ AEI/ 10.13039/501100011033) and “ESF Investing in your future”. The predoctoral contract FPI-UR 2021 (University of La Rioja) support IVD, Peer reviewed

Illustrations of the model system, the calculated chemical potential of ammonia, phase diagram of ammonia chemical potential, the optical property of the structures, the calculated phase diagram, the free energy of formation, the free energy of reaction., Peer reviewed