Resultados de investigación

Supplementary material. Analytical data (FTIR, NMR, elemental analysis); DSC; UV-Vis and fluorescence spectra; PES curves for MS_2 in starting conformation with the CN group oriented inside and outside the bent-core framework; Presentation of the energetically most favorable conformers for the studied model systems; The dipole moment, μ, its components and bending angles, α1 and α2, calculated for different conformations and orientation of CN group for MS_2 and MS_3; The Cartesian coordinates for the conformers of the model compounds MS_1–MS_4., Peer reviewed

Publicación enviada a Theriogenology (2026). Título: Evidence of breed-dependent Aquaporin 3 expression associated with sperm cryotolerance in bulls. Autores: Esther Alba; Cristina Castaño; Rosario Velázquez; Adolfo Toledano-Díaz; Julián Santiago-Moreno, Fluorescence optical sectioning was performed using a Zeiss Apotome 3 system mounted on an inverted Zeiss Axio Observer microscope at ×630 magnification (Zeiss Axiocam Mono camera)., Semen from nine bulls (five Holstein and four Pirenaica, a minimally selected native breed) was analysed under chilled and frozen–thawed conditions using 36 ejaculates (four per bull), each evaluated in both conditions. Spermatozoa were examined for the presence and distribution of AQP3 by immunocytofluorescence (ICF)., PID2023–146957OB-I00, funded by MICINN/AEI/10.13039/501100011033 and the FEDER UE., No, Modelo experimental animal, Mamíferos - Otros mamíferos

Figure S1: Phonon band structures computed with DFT or the MACE model; Figures S2 and S3 showing the vibrational density of states for the ZB and WZ nanowires respectively; Figures S4 through S14: HFACF, its integral and its power spectrum for 11 individual simulations for the zincblende phase; Figures S15 and S16 showing the zero frequency thermal conductivity extracted from the power spectrum for both phases; Figures S17 and S18 illustrate differences in the noise of Green–Kubo simulations based on different strategies to increase simulation time; Figure S19: thermal conductivities and uncertainties from the prescribed KUTE approach; Figure S20: direct integration methods applied to the low conductivity ZB nanowire; Figure S21: Time convergence from the direct approach using the Euler propagation method., Peer reviewed

Under a Creative Commons BY 4.0 license, Experimental reagents; Figure S1. XPS spectra of the Ni2p region of exfoliated CNF obtained at different KMnO4/CNF ratios; Figure S2. XPS spectra of the C1s region a) CNF, b) CNFex(0.5), c) CNFex(1), d) CNFex(2) and e) CNFex(3); Figure S3. XPS survey spectra of CNFex(1) obtained at different sonication times (10, 30 and 60 mins); Figure S4. XPS spectra of the C1s region a) CNFex(1/10), b) CNFex(1/30) and c) CNFex(1/60); Figure S5. Raman spectra of CNFex(1) obtained at different sonication times (10, 30 and 60 mins); Figure S6. Cyclic voltammograms (CV) from 0.2 to 0.8 V vs. RHE at different scan rates (5, 10, 20, 50, 100, 200 mV/s) of the a) CNF, b) CNFex(0.5), c) CNF(1) and d) CNFex(3); Figure S7. Cyclic voltammograms (CV) from 0.2 to 0.8 V vs. RHE at 20 mV/s of exfoliated CNF obtained at different KMnO4/CNF ratios; Figure S8. Comparison of the specific capacitance at a) different scan rates and b) at 20 mV/s of exfoliated CNF obtained at a KMnO4/CNF ratio of 1 under different sonication times; Figure S9. XRD patterns of Ni-N-CNF catalysts with different sonication times; Figure S10. N 1s XPS spectra of the catalysts a) Ni-N-CNF, b) Ni-N-CNFex(0.5), c) Ni-N-CNFex(1) and d) Ni-N-CNFex(3); Figure S11. Ni 2p XPS spectra of the catalysts; Figure S12. Electrocatalytic performance for OER in 1.0 M KOH media on a RRDE at 1600 rpm and saturated with N2. a) LSV curves for the catalysts with different sonication times. b) Tafel plots. C) Comparison of overpotential at 10 mA/cm2 with the Tafel plots; Figure S13. Chronoamperometry measurement of Ni-N-CNFex(2) catalysts on a RRDE at 1600 rpm in 1.0 M KOH electrolyte saturated with N2, conducted at a fixed potential of 1.52 V vs RHE at the disk and 0.4 V vs RHE at the ring, includes the profile of oxygen faradaic efficiency calculated with Equation 5; Table S1. Ni content (wt%) from ICP and XPS of the bare CNF and CNF exfoliated by the Tour method; Table S2. Surface composition of CNF with different sonication times by XPS and the intensity ratio of the D band to the G band from Raman spectroscopy; Table S3. Structural parameters determined by XRD for carbon (002) peak at different sonication time; Table S4. Chemical composition of nitrogen-doped materials determined by EA; Table S5. Chemical composition of the catalysts with different sonication time analysed by EA, XPS and ICP., This work was supported by Grant PID2023-150998OB-I00 funded by MICIU/AEI/10.13039/501100011033 and co-funded by ERDF “A way of making Europe” and by ESF+. Authors also acknowledge Gobierno de Aragón for financing Grupo de Conversión de Combustibles T06_23R. Authors thank LMA at Universidad de Zaragoza for offering access to TEM/STEM facilities. C. Serrano-Alcalde thanks also MICIU/AEI/10.13039/501100011033 for the grant PRE2021-099878 pre-doctoral fellowship., Peer reviewed

Map and SIG datasets, This work provides information on the species distribution of the Rhyacophila fasciata Species Complex in Europe and Turkey. It includes unpublished geographical data that improves the information published to date on these species. The GIS datasets correspond to 12 species of the Rhyacophila fasciata Species Complex in Europe and Turkey. The ZIP file, “GIS datasets for the Rhyacophila Species Complex in Europe and Turkey.ZIP,” includes shapefiles of points for the 12 species, available for free download. These shapefiles use WGS84 and include sampling locations, localities, countries, citation references, and, if available, DNA data. The attribute tables of the shapefiles are also available in Excel format as “Rhyacophila_Attribute Tables.xlsx”. Complete References for the entries are in “Rhyacophila_References.pdf”. The Distribution map of the Rhyacophila fasciata Species Complex in Europe and Turkey, over a digital elevation model (DEM) of Europe’s land surface (Copernicus DEM of the Earth; GISCO, 2025), is available in PDF format., · Distribution map of the Rhyacophila fasciata Species Complex in Europe and Turkey.pdf · GIS datasets for the Rhyacophila fasciata Species Complex in Europe and Turkey.ZIP · Rhyacophila _Attribute Tables.xlsx · Rhyacophila_References.pdf · README.pdf, No

Bacillus cereus is a foodborne pathogen whose spores can withstand pasteurization, posing a risk to food safety, particularly in soy-based beverages where its presence has been frequently reported. The aim of this study was to evaluate the efficacy of cold plasma as a disinfection technology for B. cereus contaminated soybean flour and soy protein isolate (SPI), as well as to assess its combined effect with nanoemulsified D-limonene, a well-known antimicrobial compound, to inhibit/reduce the growth of B. cereus in simulated soy drinks. Soybean flour and SPI inoculated with B. cereus spores were exposed to cold plasma treatment with synthetic air (20 % O2 and 80 % N2) at 80 Pa and 300 W for 30 min. Subsequently, these treated matrices were used to simulate soy beverages. Afterwards, remaining spores were germinated (80 °C, 10 min) and a 0.05 mol/L D-limonene nanoemulsion was added to the beverages. The viability of B. cereus was then monitored under different storage conditions (30 °C and 20 °C for 24 h, and 10 °C for 10 days). Cold plasma treatment reduced the spore load in soy-based matrices by approximately 1 log cycle and significantly slowed B. cereus growth after the lag phase at 20 °C and 30 °C. While D-limonene had no effect on B. cereus growth in beverages made with soy flour, it exhibited a bacteriostatic action in SPI drinks, suggesting a potential strategy to enhance food safety., This work was supported by MCIN/AEI/10.13039/501100011033, “ERDF A way of making Europe” and by the “European Union’’ [grants PID2020-11631RB-C31, PID2023-149211OB-C32 and PRE-2021-098627]. The Instituto de Agroquímica y Tecnología de Alimentos-CSIC is an accredited Center of Excellence Severo Ochoa [CEX2021-001189-S], funded by MCIU/AEI/10.13039/501100011033., With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2021-001189-S)., Peer reviewed

Figure 1. Growth and viability of cells constitutively expressing CTR1(300) in copper-containing media. -- Figure 2. Copper status of CTR1(300)-expressing cells. -- Figure 3. Analysis of oxidative damage in cells expressing the CTR1(300) copper transporter. -- Figure 4. Growth of CTR1(300)-expressing cells in lysine-limiting conditions. -- Figure 5. Oxygen consumption of the cells expressing CTR1(300) copper transporter. -- Figure 6. Characterization of global translation levels in wild-type cells and in the CTR1(300) mutant in response to copper excess., Copper is an essential cofactor for numerous metabolic pathways; however, excess intracellular copper is cytotoxic. Under conditions of copper overload, copper enters the cell as Cu2+ through low affinity divalent metal transporters, thereby inducing oxidative stress that damages cellular components, leading to cellular disfunction. In this study, we investigated the consequences of deregulated Cu+ uptake mediated by the high-affinity copper transport Ctr1 in Saccharomyces cerevisiae. Constitutive expression of a carboxy-terminally truncated Ctr1 variant, CTR1(300), resulted in elevated intracellular copper levels, increased oxidative stress, and reduced oxygen consumption, likely due to impairment of iron-sulfur cluster-containing proteins. Notably, CTR1(300)-expressing cells exhibited a pronounced repression of a global protein synthesis translation at very low copper concentrations, a phenotype that was recapitulated in wild-type cells exposed to higher copper levels. These findings reveal that excessive copper accumulation negatively impacts cellular respiration and translation, identifying protein synthesis as a sensitive target of copper toxicity., This research was supported by MCIN/AEI/10.13039/501100011033 under grants PID2020-116940RB-I00, PID2023-148124OB-I00, TED2021-131349B-I00 and CEX2021-001189-S. Grant TED2021-131349B-I00 was also funded by the European Union “Next Generation EU”/PRTR., With funding from the Spanish government through the ‘Severo Ochoa Centre of Excellence’ accreditation (CEX2021-001189-S)., Peer reviewed

Experimental procedures, NMR spectra, photophysical data, conductance and Seebeck measurements, XPS data, computational methods and data, crystallographic data for compounds Pdm and Ptm (CCDC 2334297 and 2334298)., Peer reviewed

Materials and characterization techniques, experimental procedures, synthesis and characterization, supplementary figures, NMR spectra., Peer reviewed

Supporting Fig. S1: ATR-FT-IR spectra of the dried gallnut extracts used to produce the R1 (two-day period) and R2 inks (nine-day period) and commercial gallic and tannic acids. Assignments for the labelled bands in the dried gallnut extract spectrum are presented in Table SI.3. The spectra are normalised and vertically offset for clarity. Supporting Fig. S2: Raman spectra of the R1 and R2 ppts showing the region of interest (2000-400 cm-1). The spectra are vertically offset for clarity. Supporting Fig. S3: X-ray diffraction patterns recorded for the dried inks (top) and the precipitates (bottom). g – gypsum (CaSO4•2H2O); m – melanterite (FeSO4•7H2O); r - rozenite (FeSO4•4H2O); s – szomolnokite (FeSO4•H2O). The spectra are vertically offset for clarity, and colour grading is used for better visualisation. Supporting Fig. S4: Mössbauer spectra of R1_d1 (a), R1_d2 (b), R2_d1 (c) and R2_d2 (d) taken at 295 K. The lines over the experimental points (green) on the spectra are the sum of the doublets, which are slightly shifted for clarity. The red line represents a Fe(III) species, and the light blue line indicates a Fe(II) species constituted by melanterite or rozenite or mixtures of both (Table SI.7). The percentage bar is an indication of the absorption intensity as a fraction of the baseline transmission. Supporting Fig. S5: Mössbauer spectra of R1_d1 (a) and R1_d2 (b) (right), and R2_d1 (c) and R2_d2 (d) (left) taken at 80 K. The lines over the experimental points (green) in the spectra are the sum of the doublets, which are slightly shifted for clarity. The red line indicates a Fe(III) species, the blue line represents Fe(II) in szomolnokite, and the light blue line corresponds to a Fe(II) species constituted by melanterite or rozenite or mixtures of both (Table SI.7). The percentage bar is an indication of the absorption intensity as a fraction of the baseline transmission. Supporting Fig. S6: Mössbauer spectra of R1_ppt1 (a), R1_ppt2 (b), R2_ppt1 (c) and R2_ppt2 (d) taken at 295 K. The lines over the experimental points (green) on the spectra are the sum of the doublets, which are slightly shifted for clarity. The red line represents a Fe(III) species, and the light blue line corresponds to a Fe(II) species constituted by melanterite or rozenite or mixtures of both (Table SI.7). The percentage bar is an indication of the absorption intensity as a fraction of the baseline transmission. Supporting Fig. S7: Mössbauer spectra of R1_ppt1 (a), R1_ppt2 (b), R2_ppt1 (c) and R2_ppt2 (d) taken at 80 K. The lines over the experimental points (green) on the spectra are the sum of the doublets, which are slightly shifted for clarity. The red line represents a Fe(III) species, and the light blue line represents a Fe(II) species constituted by melanterite or rozenite or mixtures of both (Table SI.7). The percentage bar is an indication of the absorption intensity as a fraction of the baseline transmission. Supporting Fig. S8: a) colour variation (mathematical equation) between the reference samples (S), R1 and R2 mockups at each ageing period (t1-t4) and their corresponding unaged counterparts; b) ΔL*, Δa*, Δb* coordinates; c) pH values. Colour grading is used for better visualisation. Supporting Fig. S9: Mössbauer spectra of R1b_t0 (a), R1b_t1 (b) and R1b_t2 (c) taken at 295 K. The lines over the experimental points (green) on the spectra are the sum of the doublets, which are shown slightly shifted for clarity. The red line represents a Fe(III) species, and the sky blue line represents an oxalate Fe(II) species (see Table SI.11). The percentage bar is an indication of the absorption intensity as a fraction of the baseline transmission. Supporting Fig. S10: Mössbauer spectra of R2b_t0 (a), R2b_t1 (b) and R2b_t2 (c) taken at 295 K (left) and 80 K (right). The lines over the experimental points (green) on the spectra are the sum of the doublets, which are shown slightly shifted for clarity. The red line represents a Fe(III) species, the sky blue line represents an oxalate Fe(II) species, and the blue line represents szomolnokite (see Table SI.11). The percentage bar is an indication of the absorption intensity as a fraction of the baseline transmission. Supporting Fig. S11: ATR-FT-IR full region spectra of the unaged (t0) and aged (t1-t4) reference sample (S), with insets focusing on the region of interest (1800-700 cm-1) and highlighting major spectral differences associated with the structural changes in the cellulose support. Key bands discussed in the main body text were labelled. The spectra are normalised and vertically offset for clarity, and colour grading is used for better visualisation. Supporting Fig. S12: Average DP and std values (σ) for the unaged (t0) and aged (t1, t2) S samples, along with the R1 and R2 mockups (left), and the percentage decrease in DP values (right). Supporting Fig. S13: XRD patterns of the unaged (t0) and aged (t1-t4): a) reference sample (S); b) R1 mockups; c) R2 mockups. The Miller indices for the main peaks ascribed to cellulose Iβ are indicated in the diffractograms. The spectra are vertically offset for clarity, and colour grading is used to enhance visualisation. Supporting Fig. S14: Young's modulus values for the unaged (t0) and aged (t1, t2) S samples and mockups. Colour grading is used for better visualisation. Supporting Table. S1:Conversion of the ancient units in the historical recipes into the units in the International System of Units, with millilitre (mL) as a particular name for the cubic centimetre (cm3). Supporting Table S3: Wavenumber (cm−1) and tentative assignment of the absorption bands in ATR-FT-IR spectra of the starting materials: dried nine day gallnut extract[a] and iron sulfate. Supporting Table S4: Wavenumber (cm-1), tentative assignment, and interpretation of the absorption bands in ATR-FT-IR spectra of fresh (R1_d1, R2_d1) and aged (R1_d2, R2_d2) dried inks. Supporting Table S5: Wavenumber (cm-1), tentative assignment, and interpretation of the absorption bands in ATR-FT-IR spectra of fresh (R1_ppt1, R2_ppt1) and aged precipitates (R1_ppt2, R2_ppt2). Supporting Table S6: Raman shift (cm-1), tentative assignment, and interpretation of the Raman bands in spectra of samples R1_ppt1, R1_ppt2, R2_ppt1, R2_ppt2. Supporting Table S7: Parameters estimated from the Mössbauer spectra taken at 295 and 80 K of the dried inks and precipitates. Supporting Table S8: Photographic images of the unaged and aged mockups. Supporting Table S9: ΔL*, Δa*, Δb*, mathematical equation$, and std (σ) values for the reference sample (S) and the R1 and R2 mockups. To ensure reproducibility, three measurements were taken of both the unaged and aged S samples, as well as in the inked areas of the unaged and aged mockups. The average of these three measurements is presented. Supporting Table S10: pH and std (σ) values for the unaged (t0) and aged (t1-t4) reference (S) sample and the R1b and R2b mockups. Supporting Table S11: Parameters estimated for the mockups from the Mössbauer spectra taken at 295 and 80 K. Supporting Table S12: Average DP and std values (σ) for the unaged (t0) and aged (t1, t2) S samples, along with the R1 and R2 mockups (left), and the percentage decrease in DP values (right)., Peer reviewed