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Set de datos (Dataset). 2023
SUPPORTING INFORMATION: FLAVIN-CONJUGATED PT(IV) ANTICANCER AGENTS
- Sánchez-Camacho, Juan
- Infante-Tadeo, Sonia
- Carrasco, Ana C.
- Scoditti, Stefano
- Martínez, Álvaro
- Barroso-Bujans, Fabienne
- Sicilia, Emilia
- Pizarro, Ana M.
- Salassa, Luca
Experimental section
Materials for synthesis and analysis
Instrumentation
Nuclear magnetic resonance (NMR) spectroscopy
Elemental analysis (EA)
Mass spectrometry (MS)
Gel permeation chromatography (GPC)
Experimental details for chemical synthesis
Solution studies
Stability of Pt-TARF compounds
Photoactivation of Pt-TARF compounds
Computational details
In vitro cell studies
Cell culture
Exposure to metal and organic compounds
Cell viability
Statistical analysis
Synthesis and characterization
Synthesis of the TARF ligand
Synthesis of Pt precursors
Figures
Figure S1-14, Characterization of compounds
Figure S15-18, Stability studies
Figure S19-27, Activation studies with bioreductants
Figure S28, DFT calculations, Peer reviewed
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DOI: http://hdl.handle.net/10261/333933
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oai:digital.csic.es:10261/333969
Set de datos (Dataset). 2022
SUPPORTING INFORMATION: UNEXPECTED CHAIN OF REDOX EVENTS IN CO-BASED PRUSSIAN BLUE ANALOGUES
- Morozova, Polina A.
- Ryazantsev, Sergey V.
- Dembitskiy, Artem D.
- Morozov, Anatolii V.
- Das, Gangadhar
- Aquilanti, Giuliana
- Gaboardi, Mattia
- Plaisier, Jasper
- Tsirlin, Alexander A.
- Presniakov, Igor A.
- Abakumov, Artem M.
- Fedotov, Stanislav S.
Comprehensive characterizing information about the series of materials; crystal, composition, and hyperfine parameters of the 57Fe Mössbauer spectra of samples K2−δMn1–xCox[Fe(CN)6]; SAED and TGA patterns, HAADF-STEM images, ATR–FTIR, 57Fe Mössbauer spectra, and electrochemical galvanostatic profiles of the mentioned series of samples; calculated fit of XAS experiments; and plots of KCMF50 and KCF operando SXRD in a 10–54° 2Θ range (λ = 1.0332 Å)., Peer reviewed
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DOI: http://hdl.handle.net/10261/333969
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oai:digital.csic.es:10261/334133
Set de datos (Dataset). 2023
DESIGN OF A NON-INTERVENTIONAL STUDY TO ASSESS NEUROLOGISTS’ PERSPECTIVES AND THERAPEUTIC DECISIONS IN EARLY ALZHEIMER ́S DISEASE
- Saposnik, Gustavo
- Sánchez-Benavidez, Gonzalo
- García-Arcelay, Elena
- Franco-Macías, Emilio
- Bensi, Catalina
- Carmelingo, Sebastián
- Allegri, Ricardo F.
- Pérez-Martínez, David A.
- Maurino, Jorge
Case scenarios or vignettes (answers in bold will be considered suboptimal treatment decisions)., Peer reviewed
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DOI: http://hdl.handle.net/10261/334133
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oai:digital.csic.es:10261/334140
Set de datos (Dataset). 2023
SUPPORTING INFORMATION: RUPE-TYPE REARRANGEMENT INTERCEPTED BY DIELS–ALDER CYCLOADDITION ON OSMIUM
- Esteruelas, Miguel A.
- Oñate, Enrique
- Paz, Sonia
Experimental details, crystallographic data, theoretical studies, and NMR and IR spectra (PDF)
Cartesian coordinates of the optimized structures (XYZ), Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/334140
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oai:digital.csic.es:10261/334140
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oai:digital.csic.es:10261/334189
Set de datos (Dataset). 2023
SUPPLEMENTARY MATERIALS FOR X-RAY PHOTOELECTRON SPECTROSCOPY (XPS) ANALYSIS OF NITROGEN ENVIRONMENT IN SMALL EXTRACELLULAR VESICLE MEMBRANES: A POTENTIAL NOVEL TECHNIQUE WITH APPLICATION FOR CANCERS SCREENING [DATASET]
- Sancho‐Albero, María
- Martín-Pardillos, Ana
- Irusta, Silvia
- Sebastián, Víctor
- Cebolla, Vicente L.
- Pazo-Cid, Roberto
- Martín-Duque, Pilar
- Santamaría, Jesús
The study was conducted in accordance with the Declaration of Helsinki, and approved by the Human Research Review Committee of the Research Ethics Committee of the Community of Aragon (Comité de Ética de la Investigación de la Comunidad de Aragón, CEICA) ((PI18/198), 04/07/2018).-- Licensed under the terms and conditions of the Creative Commons Attribution (CC BY) license., Table S1: Atomic percentage of EVs isolated from cell cultures. Mean ± SD; Table S2: Nitrogen chemical environmental analysis of EVs isolated from cell cultures. Mean ± SD; Table S3: Percentage atomic composition of EVs isolated from female control donors (n = 6) and ovarian tumor patients of different tumor grades: I (n = 8), II (n = 1), III (n = 2) and IV (n = 7). Mean ± SD; Table S4: Nitrogen composition of EVs isolated from female control donors (n = 6) and ovarian tumor patients of different tumor grades: I (n = 8), II (n = 1), III (n = 2) and IV (n = 7). Mean ± SD; Table S5: Atomic composition of EVs isolated from healthy donors (n = 10) and pancreatic tumor patients (n = 10) at diagnosis. Mean ± SD; Table S6: Nitrogen composition of EVs isolated from healthy donors (n = 10) and pancreatic tumor patients (n = 10) at diagnosis. Mean ± SD., This research was funded by ERC Advanced Grant CADENCE, grant number ERC-2016-ADG-742684”. The research was supported by Instituto de Salud Carlos III (ISCIII) (PI19/01007 and DTS21/00130) and by Fondo Europeo de Desarrollo Regional (Feder) “Una manera de hacer Europa”. We also thank CIBER-BBN, an initiative funded by the VI National R&D&i Plan 2008–2011 financed by the Instituto de Salud Carlos III (ISCIII) with the assistance of the European Regional Development Fund. This study was also partially funded by the Aragon Government (Ph.D. Grant No.r B054/12) and co-funded by Aragon/FEDER 2014–2020 “Building Europe from Aragon”., Peer reviewed
DOI: http://hdl.handle.net/10261/334189, https://www.mdpi.com/article/10.3390/cancers15092479/s1
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HANDLE: http://hdl.handle.net/10261/334189, https://www.mdpi.com/article/10.3390/cancers15092479/s1
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Set de datos (Dataset). 2022
SUPPLEMENTARY MATERIAL FOR ZINC DOPING ENHANCES THE ELECTROCATALYTIC PROPERTIES OF COBALT BORIDES FOR THE HYDROGEN EVOLUTION REACTION [DATASET]
- Quílez Bermejo, J.
- García-Dalí, Sergio
- Karthik, Raj
- Canevesi, Rafael L. S.
- Izquierdo Pantoja, María Teresa
- Emo, Mélanie
- Celzard, Alain
- Fierro, Vanessa
Energy Dispersive X-ray Spectroscopy (EDS) was used to obtain information about the chemical nature of the Co-B and Co-Zn-B samples. As observed in Supplementary Figure S1A, the EDS profiles show the presence of cobalt, oxygen and boron in the Co-B sample. If the material is prepared with the addition of Zn(NO3)2, a new intense peak is observed in the EDS profile (Supplementary Figure S1B), which is attributed to the presence of Zn in the material composition Moreover, EDS mapping was performed to further check the distribution of Co and Zn atoms in HRTEM images.The particle size distributions of the two samples are shown in Supplementary Figure S2. To assess whether the HER performance damaged the chemical nature of the Co-Zn-B material, CV before and after the HER measurements were performed. Supplementary Figure S3 shows that the CV-profile does not exhibit any significant change in the electrochemical behavior of Co-Zn-B, suggesting strong stability under HER working conditions. Furthermore, to confirm the high stability of the Co-Zn-B sample, chronopotentiometric (CP) measurements were performed at a fixed current density of −5 mA cm−2 (Supplementary Figure S4).-- Creative Commons Attribution License (CC BY)., Figure S1: EDS of (a) Co-B and (b) Co-Zn-B. Figure S2 : Particle size distribution of Co-B and Co-Zn-B. Figure S3 : CV pre and post HER of Co-Zn-B at a scan rate of 50 mV·s-1 in a N2-saturated 0.1 M KOH solution. Figure S4: Chronopotentiometric analysis of Co-Zn-B sample at a fixed current density of -5 mA·cm-2., JQ-B thanks the Ministerio de Universidades, the European Union and the University of Alicante for the financial support (MARSALAS21-21). SG-D thanks the Ministerio de Universidades, the European Union and the University of Oviedo for the financial support (MU-21-UP2021-030 30267158)., This study was partly supported by the French PIA project “Lorraine Université d’Excellence,” reference ANR-15-IDEX-04-LUE and the TALiSMAN project funded by ERDF (2019-000214)., Peer reviewed
Proyecto: //
DOI: http://hdl.handle.net/10261/334224, https://www.frontiersin.org/articles/10.3389/fenrg.2022.901395/full#supplementary-material
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Set de datos (Dataset). 2022
SUPPORTING INFORMATION FOR TWO-DIMENSIONAL TRIBLOCK PEPTIDE ASSEMBLIES FOR THE STABILIZATION OF PICKERING EMULSIONS WITH PH RESPONSIVENESS [DATASET]
- Huang, Zhiwei
- Calicchia, Eleonora
- Jurewicz, Izabela
- Muñoz, Edgar
- Garriga, Rosa
- Portale, Giuseppe
- Howlin, Brendan J.
- Keddie, Joseph L.
Analysis of the GISAXS data:
The GISAXS pattern was further analyzed with the aim to estimate the thickness of the regions composing the lamellar structure.
We recall that the SAXS intensity can be well described by the general equation:
𝐼(𝑞)=Δρ2𝑃(𝑞)𝑆(𝑞) (S1)
where Δρ2 is the contrast term defined by the electron density difference within the system, 𝑃(𝑞) is the so-called form factor, describing the scattered intensity from the objects of a certain shape and size, and 𝑆(𝑞) is the structure factor, describing the spatial correlation between adjacent scattering objects.
The many reflections observed in the GISAXS pattern (Figure 4c) are due to the presence of a multilayer structure, generated by the alternating repetition of the peptide and alkyl layers assembled in a stacked fashion (Figure 4d). The absence of the 5th diffraction reflection is directly related to the thickness of the layers. Since the system is molecularly well-defined, destructive interference between the minimum of the lamellar form factor and the 5th reflection maxima occurs. To confirm this, in Figure S6 we present the simulated intensity for the form factor (𝑃(𝑞)) of a layer with thickness h = 0.83 nm and the structure factor (𝑆(𝑞)) for a multilayered structure with periodicity d = 4.19 nm. For completeness, the simulated background and the total fitted curve are also included in the figure. In these simulations, the scattering from a homogeneous layer with thickness, h, and a lateral size larger than 1000 nm
was used, while the structure factor using paracrystalline disorder was used.1 The simulations and fitting were performed using MATLAB.
It can be clearly seen that the minimum of the form factor cancels the maximum of the
structure factor. Assuming that the system is two phase, the thickness of the second phase must be 4.19 nm - 0.83 nm = 3.36 nm.
We note that the mismatch in the relative peak height is most probably due to the texture
of the sample, as the fitted data have been extracted from the vertical cut along the qz direction of the GISAXS patterns.
Pendant Drop Interfacial Tensiometry:
A drop shape analyser (Krüss, FTA DSA1000B) was used for pendant drop tensiometry to measure the interfacial tension at the interface between the oil and different aqueous solutions. In these experiments, the aqueous phase was either DI-water, pH 7.0 buffer, 0.5 mg/mL 2T solutions in DI-water, or 0.5 mg/mL 2T in pH 7.0 buffer solution. A drop of the aqueous phase with a volume of approximately 7 μL was injected and hung from a 0.5 mm diameter needle in the less dense oil phase. Images of the drop shape were recorded using the video camera system on the apparatus and analyzed (using FTA32 software) to obtain the interfacial tension value over time. The experiments were conducted in a temperature-controlled room with a temperature of 22 +/-1 °C.
The forces that determine the shape of the pendant drop are mainly the balance of surface tension, buoyancy force and gravitation. The surface tension seeks to minimize the surface area and make the drop take a spherical shape. The difference of gravitation and buoyancy force, on the other hand, stretches the drop from this spherical shape and a typical pear-like shape results. The interfacial tension for a drop with a diameter of 𝐷𝑒𝑞 at its equator was calculated as:
𝛾=𝛥𝜌·𝑔𝐷𝑒𝑞2𝐻 (S2)
where 𝛥𝜌 is the density difference between water and oil, 𝑔 is the acceleration due to gravity (taken as 9.8 m/s2), and 𝐻 is a shape factor that is decided by the shape of the drop. Here, the water density was taken to be ρw = 0.998 g/cm3 (obtained from the FTA32 software), and the density of sunflower oil3 was taken as ρo = 0.918 g/cm3. Six replicate measurements were performed on the sunflower oil/DI water interface. The standard deviation was 0.4 mN/m.
In pH 7.0 buffer solutions, there is a self-assembly of 2T platelets. The platelets are large enough to be subject to gravitational effects, which made the interfacial tension measurements unreliable.-- Licensed under CC-BY 4.0., Size, SAXS, and microscope images of 2T in pH 7.0 buffer, water, and pH 4.0 buffer; description of coarse-grained simulations; molecular model; photograph of the 2T films from the oil/water interface; Raman spectrum of pure sunflower oil; interfacial tension measurements; aging of the emulsion; destabilization of a β-carotene emulsion; SEM image of the spin-coated emulsion; and EDS measurements of the elements in a dried 2T-stabilized oil drop (PDF)
Coarse-grained simulation of the peptide in water, demonstrating the formation process of the 2D peptide assembly (MP4)
All-atom simulation of 2T attaching to the oil/water interface (MP4), Z.H. acknowledges the Chinese Scholarship Council (CSC 201906950049) and the Vice-Chancellor’s Scholarship Fund for providing a PhD studentship. E.C. acknowledges the Faculty of Science and Engineering at the University of Groningen for PhD funding. [...] This research was supported by the Aragón Regional Government (project E25_20R) [...]., Peer reviewed
DOI: http://hdl.handle.net/10261/334262
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Set de datos (Dataset). 2023
JOSEJIMENEZGH/DORSALGALLEGA_WOLVES: DORSALGALLEGA_WOLVES
- Jiménez, José
R+Nimble code for the fitting of the SCR model from the paper: Estimating wolf (Canis lupus) densities using video camera traps and spatial capture-recapture analysis., Peer reviewed
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DOI: http://hdl.handle.net/10261/334268
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oai:digital.csic.es:10261/334306
Set de datos (Dataset). 2022
SUPPORTING INFORMATION FOR TRANSFORMATION OF COFE2O4 SPINEL STRUCTURE INTO ACTIVE AND ROBUST COFE ALLOY/N-DOPED CARBON ELECTROCATALYST FOR OXYGEN EVOLUTION REACTION [DATASET]
- Gebreslase, Gebrehiwet Abrham
- Martínez Huerta, M. Victoria
- Sebastián del Río, David
- Lázaro Elorri, María Jesús
Under a Creative Commons license CC-BY 4.0, Figure S 1. SEM images of (a) CoFe/NC10% , (b) CoFe/NC20% , and (c) CoFe/NC40%. Figure S 2.TEM images of (a) CoFe/NC10% , (b) CoFe/NC20% , and (c) CoFe/NC40%.
Figure S 3. Particle size distribution of the various electrocatalyst: (a) CoFe2O4, (b) CoFe/NC10% , (c) CoFe/NC20% ,(d) CoFe/NC30% , and (e) CoFe/NC40% .
Table S 1. Amount of CoFe alloys and oxides in the composite samples, determined from the XRD analysis.
Figure S 4. XPS high resolution spectra of (a) Fe 2p, (b) Co 2p, for all electrocatalysts. Table S 2. XPS analysis results of the electrocatalysts. Table S 3. Elemental composition of the prepared electrocatalysts. Table S 4. Specific capacitance and ECSA values for the various eletrocataysts. Table S 5. Charge transfer resistance (Rct) and solution resistance (Rs) determined from EIS measurement. Figure S 5. ECSA-normalized polarization curve., Financial support from the European Union's Horizon 2020 Research and Innovation programme under the Marie Skłodowska-Curie Actions-Innovative Training Networks (MSCA-ITN) Grant Agreement 813748 are gratefully acknowledged. The authors wish to acknowledge the grants PID2020-115848RB-C21 and PID2020-115848RB-C22 funded by MCIN/AEI/10.13039/501100011033., Peer reviewed
DOI: http://hdl.handle.net/10261/334306
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Set de datos (Dataset). 2023
SUPPORTING INFORMATION: IBERIAN LYNXES SCAVENGING ON UNGULATE CARCASSES: AN OVERLOOKED IMPORTANT RESOURCE AND POTENTIAL RISK FOR AN ENDANGERED PREDATOR
- Tobajas, Jorge
- Finat, Rafael
- Ferreras, Pablo
- Margalida, Antoni
Appendix A. Supplementary data:
Appendix S1. Different pictures illustrating how several Iberian lynxes use the same carcass. The sequence of recorded events is ordered by time, which can be observed in the picture bottom.
Appendix S2. Different pictures showing the caching behavior by Iberian lynxes on carrion remains.
Appendix S3. Different pictures showing the recorded roll-over behavior by Iberian lynxes on carrion remains in an advanced state of decay., Peer reviewed
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DOI: http://hdl.handle.net/10261/334312
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