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1,041 results for “Spectroscopy”
Short-Range Electronic Interactions between Vanadium and Molybdenum in Bimetallic SAPO‑5 Catalysts Revealed by Hyperfine Spectroscopy
<ul> <li><strong>Data type</strong>: Experimental spectroscopic measurements, Computer Simulation and Analysis</li> <li>Files are with filename extensions: <strong>DSC</strong>, <strong>DTA</strong>, and <strong>m</strong>.</li> <li>Information on <strong>origin of the data</strong>: <ul> <li>EPR spectroscopic measurements with filename extensions <strong>DSC</strong> and <strong>DTA</strong></li> <li>EPR spectroscopic simulation and analyses with filename extension<strong> m</strong></li> </ul> </li> <li>Are the data <strong>generated</strong> (e.g. by a machine) or <strong>collected</strong> (e.g. by means of a survey)? <ul> <li>X-band CW-EPR spectroscopic measurements were generated by EMX spectrometer equipped with SHQ cavity produced by Bruker.</li> <li>Q-band Pulsed-EPR spectroscopic measurements were generated by ELEXYS 580 EPR spectrophotometer equipped with ER5106QT cavity and ER035 M NMR gaussmeter produced by Bruker.</li> </ul> </li> <li><strong>If the dataset includes multiple files that relate to each other:</strong> <ul> <li>Files in <strong>PARACAT_WP4_20230612_01_CW </strong>folder includes CW-EPR spectroscopic measurements and computer simulations/analyses, original data are in DTA/DSC formats; simulations in m format.</li> <li>Files in <strong>PARACAT_WP4_20230612_02_Pulse</strong> folder includes Pulsed-EPR spectroscopic measurements and computer simulations/analyses, original data are in DTA/DSC formats; files in m format were used to process the data.</li> </ul> </li> <li><strong>Information on</strong>: <ul> <li>specialized abbreviations: <strong>EPR</strong> – Electron Paramagnetic Resonance, <strong>CW</strong> – Continuous Wave EPR, <strong>HYSCORE </strong>– HYperfine Sublevel CORrelation spectroscopy</li> <li>definitions of variables: <strong>Magnetic field, Temperature</strong></li> <li>units of measurement: <strong>Gauss (G), K</strong></li> </ul> </li> </ul>
Unveiling the atomistic and electronic structure of NiII–NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling
<p><strong>Description of the dataset: </strong></p> <ul> <li><strong>Data type</strong>: Experimental spectroscopic measurements, computer simulation and analysis</li> <li>Files are with filename extensions: <strong>DSC</strong>, <strong>DAT</strong>, <strong>m</strong>, <strong>txt</strong></li> <li>Information on <strong>origin of the data</strong>:</li> </ul> <ul> <li>EPR spectroscopic measurements with filename extensions <strong>DSC</strong>, <strong>DTA.</strong></li> <li>EPR spectroscopic simulation and analyses with filename extension <strong>m</strong>.</li> <li>EPR spectra are exported as <strong>txt</strong> files in ASCII format.</li> </ul> <ul> <li>X-band CW-EPR spectroscopic measurements were generated by EMX spectrometer equipped with SHQ cavity produced by Bruker.</li> <li><strong>If the dataset includes multiple files that relate to each other:</strong> <ul> <li>Files in <strong>PARACAT_WP4_20230706_01_CW_Xband </strong>folder includes X-band CW-EPR spectroscopic measurements; original data are in DTA/DSC and txt formats.</li> <li>Files in <strong>PARACAT_WP4_20230706_02_HYSCORE </strong>and <strong>PARACAT_WP4_20230706_03_ENDOR </strong>folders include X-band HYSCORE and ENDOR data; original data are in DTA/DSC and txt formats.</li> <li>Files in <strong>PARACAT_WP4_20230706_ 04_MATLAB</strong> and<strong> PARACAT_WP4_20230706_ 05_Modelling</strong> folders include matlab and computer simulations/analyses of the EPR measurements; data are in m and txt formats.</li> <li>File <strong>PARACAT_WP4_20230706_ 06_Origin</strong> include origin plotted data</li> </ul> </li> </ul> <p> </p> <ul> <li><strong>Information on</strong>: <ul> <li>specialized abbreviations: <strong>MFU– </strong>MFU-4l:NO<sub>2</sub> MOF material</li> <li>NiNO – NO adsorbed MFU-4l:NO<sub>2</sub> MOF</li> <li>@10K – measured at 10 K</li> <li>definitions of variables: <strong>Magnetic field, Temperature.</strong></li> <li>units of measurement: <strong>Gauss (G), K, degree (°), milliTesla (mT)</strong>.</li> </ul> </li> </ul>
Supplementary CIF files for "Shedding Light on the Enigmatic TcO2 ⋅ xH2O Structure with Density Functional Theory and EXAFS Spectroscopy"
<p>Optimized geometries from the paper "Shedding Light on the Enigmatic TcO2 ⋅ <em>x</em>H2O Structure with Density Functional Theory and EXAFS Spectroscopy" (<a href="https://doi.org/10.1002/chem.202202235">https://doi.org/10.1002/chem.202202235</a>), provided in CIF format.</p> <p>All structures were fully optimized (lattice vectors and atomic coordinates) using AMS/BAND (<a href="https://www.scm.com/">https://www.scm.com/</a>) with the PBE density functional, scalar relativistic effects (ZORA), and numerical atomic orbitals (NAOs) augmented with a triple-zeta polarized (TZP) set of Slater-type basis functions. For the chains, D3 dispersion corrections were also included.</p> <p> </p>
Interstitial null-distance time-domain diffuse optical spectroscopy using a superconducting nanowire detector
<p>We demonstrate a novel realization of Interstitial fiber, broadband, Time Domain Diffuse Optical Spectroscopy (TD-DOS) in Null Source-Detector separation (NSDS) approach without temporal gating, by using a Superconducting Nanowire single photon detector (SNSPD) for acquisition. As per the MEDPHOT protocol, we test experimentally, the absorption linearity of the system on tissue-equivalent liquid phantoms, and demonstrate the scattering-independent retrieval of the absorption spectrum of water using Intralipid phantoms in the wavelength range of 600-1100 nm.</p> <p>This work has been published in the Journal of Biomedical Optics - https://doi.org/10.1117/1.JBO.28.12.121202. Here, we present the dataset containing the acquired data pertaining to the aforementioned publication, including a brief overview, the tools to read it and the analysis corresponding to the figures in the article.</p>
Magnetic resonance spectroscopy data acquired in tinnitus subjects and healthy volunteers using PRESS sequence
<p>This dataset contains raw free induction decay (FID) signals collected during 1H magnetic resonance spectroscopy (MRS) study in 52 individuals with tinnitus (24 with unilateral and 28 with bilateral tinnitus) and 25 healthy volunteers (described in detail in a separate article doi:10.1038/s41598-023-45024-3).</p><p>Data acquisition was performed using 3T Siemens Prisma Fit scanner with a 20-channel receiver head-coil. A single voxel spectroscopy (SVS) PRESS (Point-Resolved Spectroscopy Sequence) sequence was applied for collection of MRS data, using standard Siemens water suppression (water saturation, 50 Hz bandwidth) and no lipid suppression. MRS data was collected from four cubic 3.75 cm3 (1.5 cm x 1.5 cm x 1.5 cm) regions-of-interest in the brain, placed in the left temporal lobe, right temporal lobe, left frontal lobe, and right frontal lobe. The MRS sequence parameters were: TR (time of repetition) = 2000 ms, TE (time of echo) = 40 ms, TA (time of acquisition) = 4 min 26 s, 128 averages with 1024 time points and 1200 Hz bandwidth.</p><p>MRS data is stored in RDA file format, developed by Siemens (see doi:10.1002/nbm.4257, Table 1). Each RDA file contains a text header (which can be viewed using a standard notepad application) and binary FID signal under the header. Data can be imported for analysis using several open-source packages (tested with FID-A doi:10.1002/mrm.26091 and spant doi:10.21105/joss.03646). </p><p>Naming scheme of files is as follows:</p><p><participant ID>_<hemisphere: L or R>_<region: F (frontal) or T (temporal)>.rda</p><p>For example: <i>001_L_F.rda</i> is data from participant 001 collected from a voxel placed in a ROI in the left frontal lobe.</p><p>In order to allow replication of the results from the original article, we also added information about the group of each of the subjects. This information is stored in a TSV file containing two columns: <i>participant_ID</i> and<i> group</i> (C – control, TU – unilateral tinnitus, TB – bilateral tinnitus).</p><p>Aside from replication of our results this dataset may be used e.g. for testing of different MRS data processing pipelines.</p>
Data bundle for "Advancing characterisation with statistics from correlative electron diffraction and X-ray spectroscopy, in the scanning electron microscope"
<p>Prepared by Tom McAuliffe (t.mcauliffe17@imperial.ac.uk)</p> <p>This repository is a release of the raw data and analysis results for: 'Advancing characterisation with statistics from correlative <br> electron diffraction and X-ray spectroscopy, in the scanning electron microscope' <br> https://doi.org/10.1016/j.ultramic.2020.112944</p> <p>The raw data is given as 'RawData.h5' - this contains patterns, spectra, and metadata in the Bruker-exported format.</p> <p>Outputs of our analysis code (which will be made available via AstroEBSD) are contained in 'PCA_Outputs' subfolders. Exported plots and <br> .mat results files are contained within. These are organised by Figure number in the paper.</p> <p>The provided results are divided into two major sections:<br> (1) Variation in the variance tolerance limit (and corresponding numbers of retained components), and the weighting of the PCA in favour of EBSD or EDS information.<br> RCCs are validated by cross-correlation with the corresponding raw data point pattern and/or spectrum. <br> (2) Full outputs of PCA analysis having varied the weighting parameter. This contains IPF maps, quantified chemical maps, PC scores, and label maps. <br> </p>
Imaging spectroscopy and elemental mapping of Haughton impact melt rock: Datasets
<p>Description of archived data for manuscript Greenberger et al. (accepted, JGR Planets)<br> </p> <p>This archive contains the data underlying the results reported in the following paper:<br> Greenberger, R. N., Ehlmann, B. L., Osinski, G. R., Tornabene, L. L., & Green, R. O. Compositional Heterogeneity of Impact Melt Rocks at the Haughton Impact Structure, Canada: Implications for Planetary Processes and Remote Sensing. Journal of Geophysical Research: Planets, accepted.<br> 1. ImageList.txt: Contains information required to connect sample names from paper with images, which often contain multiple samples.<br> 2. FieldImages.tar.gz: Imaging spectroscopy files from images of outcrops in the field<br> 3. LabImages.tar.gz: Imaging spectroscopy files from samples imaged in the laboratory<br> 4. XRF_Data.tar.gz: Elemental mapping of cut samples via mapping x-ray fluorescence</p> <p>Imaging spectroscopy files (for all below, * is image name from ImageList.txt):<br> 1. *_SWIRcalib.img files: Laboratory images of samples processed to reflectance, including a dark current subtraction, line-by-line ratio to an image of Spectralon acquired with identical lighting, and correction for the reflectance properties of Spectralon. These files are stored with BIL interleave.<br> 2. *_SWIRcalib.hdr files: Header files for (1).<br> 3. *_SWIRcalib_atmcorr.img: Images of outcrops acquired in the field processed to reflectance, including instrument level corrections (dark current subtraction and flat field correction) and atmospheric correction (dark object subtraction and correction to in-scene Spectralon calibration target).<br> 4. *_SWIRcalib_atmcorr.hdr: Header files for (3).<br> 5. mask# and mask#.hdr: Masks and associated header files where the sample or region of interest has a value of 1 and outside of the sample or region of interest has a value of 0. Imaging spectroscopy measurements of multiple samples were sometimes acquired within the same image, and each sample has its own mask. ImageList.txt shows conversions from image and mask names to sample numbers. For files with no # after mask, only one sample or region of interest is present within the image.<br> 6. *_SWIRcalibmask#_MAP, *_SWIRcalib_atmcorrmask_MAP, and corresponding .hdr files: These are image files with 12 bands, one for each lithologic classification in the paper, and associated header files. Values of 1 indicate that the lithology is present, and values of 0 indicate that it is absent. The mask files (5) were used to ignore areas outside of the sample or outcrop. The band named "Mixed 2.2 and 2.3 micron features" is Mixed Carbonate + Si-OH, and "Illite-y" is Illite-like. These files are stored with BSQ interleave.</p> <p>X-ray fluorescence (XRF) data:<br> Each folder corresponds with measurements of a single sample. These are measurements of the same surfaces of some cut samples analyzed by imaging spectroscopy. ImageList.txt gives the corresponding image cubes. All exported elements are .tsv files and are in quantized relative counts as exported by the instrument software. Data for Mg are unreliable due to its low atomic number, as is typical for XRF.</p>
Broadband Dielectric Spectroscopy Study of Biobased Poly(alkylene 2,5-furanoate)s' Molecular Dynamics
<p><strong>Related publication:</strong><br> Soccio, M.; Martínez-Tong, D.E.; Guidotti, G.; Robles-Hernández, B.; Munari, A.; Lotti, N.; Alegria, A. Broadband Dielectric Spectroscopy Study of Biobased Poly(alkylene 2,5-furanoate)s’ Molecular Dynamics. <em>Polymers</em> 2020, <em>12</em>, 1355.<br> <a href="https://doi.org/10.3390/polym12061355">10.3390/polym12061355</a></p> <p><strong>EUSMI proposal codes:</strong><br> E171100040, E171100043</p>
Data and model for 'JWST transmission spectroscopy of HD 209458b: a super-solar metallicity, a very low C/O, and no evidence of CH4, HCN, or C2H2'
<p>Supplementary materials for https://arxiv.org/abs/2310.03245 </p> <p>include:</p> <p>1. <strong>spectra_final.csv: </strong>transmission spectrum reduced by Eureka! and SPARTA (Figure 6), the best-fit model presented in Figure 1(a).</p> <p>2. <strong>Opacities </strong>used in the retrieval that are compatible with PLATON described in section 3.</p> <p>All opacity numpy pickle files are generated by <code>Python 3.9.7</code> and <code>Numpy 1.24.2</code>.</p> <p> </p> <p>**Bestfit in spectra_final.csv and all opacities are updated on Jan 23, 2024</p> <p>For any additional data requests or questions, please contact: qiaox@uchicago.edu</p>
Comprehensive Impedance Spectroscopy Analysis on the Electrocatalytic Reduction of 5-Hydroxymethylfurfural
<p># Dataset of "Comprehensive Impedance Spectroscopy Analysis on the Electrocatalytic Reduction of 5-Hydroxymethylfurfural"</p> <p>---</p> <p>## GENERAL INFORMATION<br>----------------------</p> <p>1. Dataset title: "Comprehensive Impedance Spectroscopy Analysis on the Electrocatalytic Reduction of 5-Hydroxymethylfurfural"</p> <p>2. Authorship: <br> Name: Jose Solera-Rojas <br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> ORCID: 0000-0003-3513-7069</p> <p> Name: David Carvajal<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> ORCID: 0000-0002-8450-2563</p> <p> Name: Antonio Guerrero<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> ORCID: 0000-0001-8602-1248</p> <p> Name: Carmen Mejuto<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> ORCID: 0000-0002-4432-5697</p> <p> Name: Elena Más-Marzá<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> Email: <emas@fca.uji.es> <br> ORCID: 0000-0002-2308-0635</p> <p> Name: Francisco Fabregat-Santiago<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> Email: <fabresan@uji.es> <br> ORCID: 0000-0002-7503-1245</p> <p>## FILE DESCRIPTION<br>--------------<br>### Figure 2<br>- Fig2b.txt : Cyclic voltammetry (CV) for the reduction of HMF, BHMF, 5-MF and MFA. A 20 mM of each organic molecule in a solution of 0.5 M NaH2PO4 (pH = 4.1) was used.<br>- Fig2c.txt : Conversion of HMF and yields of BHMF, MFA, DMF and 5-MF. <br>- Fig2d.txt : Faradaic Efficiency (FE) for the electroreduction of 20 mM HMF at pH = 4.1.</p> <p>### Figure 3<br>- Fig3a.txt : Uncorrected J-V curve taken at the end of IS measurements without and with all the organic molecules in this study<br>- Fig3b.txt : Corrected J-V curve taken at the end of IS measurements without and with all the organic molecules in this study<br>- Fig3c.txt : Faradaic Efficiencies for Glycerol oxidation electrolysis at 5 mA cm^-2.<br>- Fig3d.txt : Nyquist plots in the absence and presence of each organic molecule at -0.65 V vs. RHE.</p> <p>### Figure 4<br>- Fig4a.txt : Results obtained from fitting the IS data Cdl<br>- Fig4b.txt : Results obtained from fitting the IS data Rct<br>- Fig4c.txt : Results obtained from fitting the IS data Css<br>- Fig4d.txt : Results obtained from fitting the IS data Rss<br>- Fig4e.txt : Results obtained from fitting the IS data L<br>- Fig4f.txt : Results obtained from fitting the IS data tau</p> <p><br>### Figure S3<br>- FigS3a.txt : Cyclic voltammetry of 5-MF at different concentrations (20, 40 and 80 mM) in a solution of 0.5 M NaH2PO4 (pH = 4.1) at a 5 mV/s scan rate.<br>- FigS3a.txt : Cyclic voltammetry of HMF at different concentrations (20, 40 and 80 mM) in a solution of 0.5 M NaH2PO4 (pH = 4.1) at a 5 mV/s scan rate.<br>- FigS3a.txt : Cyclic voltammetry of BHMF at different concentrations (20, 40 and 80 mM) in a solution of 0.5 M NaH2PO4 (pH = 4.1) at a 5 mV/s scan rate.<br>- FigS3a.txt : Cyclic voltammetry of MFA at different concentrations (20, 40 and 80 mM) in a solution of 0.5 M NaH2PO4 (pH = 4.1) at a 5 mV/s scan rate.</p> <p>### Figure S4<br>- FigS4a.txt : HPLC chromatograms for HMF, BHMF, 5-MF, MFA and DMF from commercially available products at (a) 294 nm, (b) 285 nm and (c)-(d) 222 nm. The solution from DMF was prepared in cyclohexane and diluted in CH3CN.<br>- FigS4b.txt : HPLC chromatograms for HMF, BHMF, 5-MF, MFA and DMF from commercially available products at (a) 294 nm, (b) 285 nm and (c)-(d) 222 nm. The solution from DMF was prepared in cyclohexane and diluted in CH3CN.<br>- FigS4c.txt : HPLC chromatograms for HMF, BHMF, 5-MF, MFA and DMF from commercially available products at (a) 294 nm, (b) 285 nm and (c)-(d) 222 nm. The solution from DMF was prepared in cyclohexane and diluted in CH3CN.<br>- FigS4d.txt : HPLC chromatograms for HMF, BHMF, 5-MF, MFA and DMF from commercially available products at (a) 294 nm, (b) 285 nm and (c)-(d) 222 nm. The solution from DMF was prepared in cyclohexane and diluted in CH3CN.</p> <p>### Figure S5<br>- FigS5a.txt : Calibration curves for (a) HMF (285 nm), (b) BHMF (222 nm), (c) MFA (222 nm), (d) 5-MF (294 nm) and (e) DMF (222 nm).<br>- FigS5b.txt : Calibration curves for (a) HMF (285 nm), (b) BHMF (222 nm), (c) MFA (222 nm), (d) 5-MF (294 nm) and (e) DMF (222 nm).<br>- FigS5c.txt : Calibration curves for (a) HMF (285 nm), (b) BHMF (222 nm), (c) MFA (222 nm), (d) 5-MF (294 nm) and (e) DMF (222 nm).<br>- FigS5d.txt : Calibration curves for (a) HMF (285 nm), (b) BHMF (222 nm), (c) MFA (222 nm), (d) 5-MF (294 nm) and (e) DMF (222 nm).<br>- FigS5e.txt : Calibration curves for (a) HMF (285 nm), (b) BHMF (222 nm), (c) MFA (222 nm), (d) 5-MF (294 nm) and (e) DMF (222 nm).</p> <p>### Figure S6<br>- FigS6.txt : HPLC chromatogram for the chronoamperometry experiment at -0.55 V vs. RHE and 294 nm for the detection of 5-MF.</p> <p>### Figure S8<br>- FigS8.txt : HPLC chromatogram from the top organic phase from an experiment of 20 mM 5-MF at -0.65 V vs. RHE with a charge limit of 38.6 C. DMF shows a retention time of 21.57 min, while the signal at 12.80 min corresponds to 5-MF partially solubilize in the cyclohexane layer</p> <p>### Figure S9<br>- FigS9.txt : HPLC chromatogram at 222 nm from a chronocoulometric reaction of 20 mM HMF at -0.85 V vs. RHE </p> <p>### Figure S10<br>- FigS10.txt : Stability test of 20 mM standard solution of HMF, BHMF, MFA and 5-MF in a 0.5 M NaH2PO4 (pH = 4) solution for 12 h, quantified by HPLC</p> <p>### Figure S12<br>- FigS10a.txt : Bode plots of impedance spectra in Figure 3c for w/o organic molecule<br>- FigS10b.txt : Bode plots of impedance spectra in Figure 3c for 5-MF<br>- FigS10c.txt : Bode plots of impedance spectra in Figure 3c for HMF<br>- FigS10d.txt : Bode plots of impedance spectra in Figure 3c for BHMF<br>- FigS10e.txt : Bode plots of impedance spectra in Figure 3c for MFA</p> <p>### Figure S13<br>- FigS13.txt : Impedance spectra for HMF change with voltage and so it does the equivalent circuit used to fit the experimental data.</p> <p>### Figure S14<br>- FigS14a,b,c,d.txt : Chronoamperometries of Cu electrodes with the different electrolytes. Peaks observed in the transition between potentials (blue arrows) are associated to the charging of a large capacitor, in our case the surface state capacitor. In the case of MFA this peak is may not be clearly observed as the Css attains large values at voltages in which high current is crossing the electrochemical cell.</p> <p> </p>
Negative Muon Spectroscopy Data for Ag-Al-Au Alloys
<p>Negative muon spectroscopy data for Ag/Al/Au alloys. The data is generated by mixing elemental spectra of each of the species in randomly selected ratios. The underlying physical data was collected at the ISIS Neutron and Muon Source. The data is assocaited with the manuscript 'Enhancing Performance of Multilayer Perceptrons by Knot-Gathering Initialization'.</p>
Data for: Probing electron and hole co-localization by resonant four-wave mixing spectroscopy in the extreme-ultraviolet
<p>Data for: Probing electron and hole co-localization by resonant four-wave mixing spectroscopy in the extreme-ultraviolet</p>
Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the --H dissociative ionization of methylated PAHs
<p>Dataset for article "Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the --H dissociative ionization of methylated PAHs". DOI: 10.1016/j.jms.2022.111620</p> <p> - folder Experimental contains<br> - folder Fig2_IRPDspectra containing<br> - with IRPD spectra data of all three species (Fig. 2)<br> - folder Fig3_Depletion containing<br> - the saturation depletion measurements on six bands (Fig. 3)<br> - folder FigS1_MassSpectra containing<br> - the mass spectra of all three species in Trap ON/OFF modes (Fig. S1)</p> <p> - folder Theoretical contains<br> - .log files for each considered species<br> - e.g.: folder C11H9+ contains folders for the<br> - NapC7+<br> - NapC7+Ne<br> - NapCH2+<br> - NapCH2+Ne<br> These contain all .log files needed to reproduce Figs. 4, 5, 6 of the main<br> mansucript and Figs. S3, S4, S5, S6, S7, S8, S9 of the supplementary material<br> - folder Fig7_EnergyProfile containing<br> - all minima and transition states for the computed energy profile (doublet<br> spin state surface) for the H loss from NapCH3+ leading to NapCH2+ and NapC7+<br> (Fig. 7)</p> <p> </p>
Fourier-transform Infrared (FT-IR) spectroscopy fingerprints subpopulations of extracellular vesicles of different sizes and cellular origin
<p>Atomic Force Microscopy images of Large (LEV), Medium (MEV) and Small (SEV) Extrzcellular vesicles (EVs) from murine cell line B16 (B16-F10, ATCC CRL-647; Mus musculus, mouse; tissue: melanoma skin). Image size 8.3 x 8.3 um. Analysis mode: Tapping mode in air as described in Paolini et al. https://doi.org/10.1080/20013078.2020.1741174</p>
CRIRES high-resolution near-infrared spectroscopy of diffuse interstellar band profiles
<p>This archive contains data used for the paper:</p> <p>CRIRES high-resolution near-infrared spectroscopy of diffuse interstellar band profiles. Detection of 12 new DIBs in the YJ band and the introduction of a combined ISM sight line and stellar analysis approach</p> <p>Paper-DOI: 10.1051/0004-6361/202142990</p> <p>It contains reduced oCRIRES spectra. For more details on the reduction see the paper.</p>
Simulated X-ray Photon Fluctuation Spectroscopy Dataset
<p>Dataset for simulated X-ray Photon Fluctuation Spectroscopy (XPFS) detector images and photon maps. XPFS is a X-ray speckle imaging technique used at SLAC National Accelerator Laboratory to study ultrafast materials dynamics. </p>
Assessing the Influence of Zeolite Composition on Oxygen-Bridged Diamino Dicopper(II) Complexes in Cu-CHA DeNOx Catalysts by Machine Learning-Assisted X‑ray Absorption Spectroscopy
<ul> <li><strong>Data type</strong>: Experimental spectroscopic measurements and related elaboration from Figures 1-4 of the corresponding article</li> <li>Files are with filename extensions: <strong>txt</strong></li> <li>Information on <strong>origin of the data</strong>:</li> </ul> <p>In situ XANES and EXAFS data were collected at the BM23 beamline of the European Synchrotron Radiation Facility (ESRF, Grenoble, France) in a Microtomo reactor cell; measured Cu-CHA samples are indicated in the following with “Cu/Al”-“Si/Al” labels</p> <ul> <li><strong>fig_01_XANES:</strong> Normalized Cu K-edge XANES for Cu-CHA samples 0.1-5; 0.5-15; 0.6-29, collected at 200 °C after pretreatment in O<sub>2</sub>, reduction in NO+NH<sub>3</sub> and subsequent oxidation in O<sub>2</sub>.</li> <li><strong>fig_02_Conversion:</strong> NOx conversion in the 150−500 °C temperature range for Cu-CHA samples 0.1-5, 0.5-15, 0.6-29; TOF at 200 °C versus fraction of Cu(I) from XANES LCF after oxidation and fraction of Cu(I) from XANES LCF after oxidation versus Cu density for the same catalysts.</li> <li><strong>fig_03_EXAFS_FT_WT:</strong> Magnitude of experimental EXAFS spectra, obtained by Fourier transforming k<sup>2</sup>χ(k) spectra in the 2.4−12.0 Å<sup>−1</sup> range for Cu-CHA samples 0.1-5, 0.5-15, 0.6-29 after reduction in NO+NH<sub>3</sub> and subsequent oxidation in O<sub>2</sub>; corresponding EXAFS WT maps magnified in high-R range (2-4 Å), obtained using a Morlet WT with parameters (σ=1, η=7).</li> <li><strong>fig_04_EXAFS_MLfit:</strong> Magnitude of experimental and best fit EXAFS spectra, obtained by Fourier transforming k<sup>2</sup>χ(k) spectra in the 2.4−12.0 Å<sup>−1</sup> range for Cu-CHA samples 0.1-5, 0.5-15, 0.6-29 after oxidation in O<sub>2</sub>. Scaled components 1 ([Cu<sup>I</sup>(NH<sub>3</sub>)<sup>2</sup>]<sup>+</sup>), 2 and 3 (planar and bent μ-η<sup>2</sup>,η<sup>2</sup>-peroxo diamino dicopper(II)) isolated by ML-assisted EXAFS fitting are also reported, vertically translated.</li> <li><strong>Information on</strong>:</li> <li>specialized abbreviations: <strong>CHA</strong>– chabazite; <strong>XANES</strong>– X-ray absorption near edge structure, <strong>EXAFS</strong> – Extended X-ray absorption fine structure; <strong>LCF</strong> – Linear Combination Fit;<strong> FT</strong>: Fourier Transform; <strong>WT</strong> – Wavelet Transform; <strong>ML</strong> – Machine Learning; <strong>TOF</strong> – Turn Over Frequency;</li> </ul>
Detection of Submicron- and Nanoplastics Spiked in Environmental Fresh- and Saltwater with Raman Spectroscopy
<p>ABSTRACT</p> <p>Detection of small plastic particles in environmental water samples has been a topic of increasing interest in recent years. A multitude of techniques, such as variants of Raman spectroscopy, have been employed to facilitate their analysis in such complex sample matrices. However, these studies are often conducted for a limited number of plastic types in matrices with relatively little additional materials. Thus, much remains unknown about what parameters influence the detection limits of Raman spectroscopy for more environmentally relevant samples. To address this, this study utilizes Raman spectroscopy to detect six plastic particle types; 161 and 33 nm polystyrene, < 450 nm and 36 nm poly(ethylene terephthalate), 121 nm polypropylene, and 126 nm polyethylene; spiked into artificial saltwater, artificial freshwater, North Sea, Thames River, and Elbe River water. Overall, factors such as plastic particle properties, water matrix composition, and experimental setup were shown to influence the final limits of detection.</p>
Functional Near-Infrared Spectroscopy Reveals Delayed Hemodynamic Changes in the Primary Motor Cortex During Fine Motor Tasks and Decreased Interhemispheric Connectivity in Parkinson's Disease Patients
<p>This dataset contains functional near-infrared spectroscopy (fNIRS) data from 20 patients with Parkinson’s disease and 20 age- and sex-matched healthy subjects without movement disorders. There are 3 folders, each corresponding to a different task: a 10-second finger-tapping task, a 2-minute walking task, and a 6-minute resting-state. When using this dataset, please cite our work:</p> <div> <div>Guevara, E., Rivas-Ruvalcaba, F. J., Kolosovas-Machuca, E. S., Ramírez-Elías, M., Zapata, R. D. de L., Ramirez-GarciaLuna, J. L., & Rodríguez-Leyva, I. (2024). Parkinson’s disease patients show delayed hemodynamic changes in primary motor cortex in fine motor tasks and decreased resting-state interhemispheric functional connectivity: A functional near-infrared spectroscopy study. <em>Neurophotonics</em>, <em>11</em>(2), 025004. <a href="https://doi.org/10.1117/1.NPh.11.2.025004">https://doi.org/10.1117/1.NPh.11.2.025004</a></div> <div> <div> <div>Guevara, E., Solana-Lavalle, G., & Rosas-Romero, R. (2024). Integrating fNIRS and machine learning: Shedding light on Parkinson’s disease detection. <em>EXCLI Journal</em>, <em>23</em>, 763–771. <a href="https://doi.org/10.17179/excli2024-7151">https://doi.org/10.17179/excli2024-7151</a></div> <div> <div> <div> <div> <div>Guevara, E., Kolosovas-Machuca, E. S., & Rodríguez-Leyva, I. (2024). Exploring motor cortex functional connectivity in Parkinson’s disease using fNIRS. <em>Brain Organoid and Systems Neuroscience Journal</em>, <em>2</em>, 23–30. <a href="https://doi.org/10.1016/j.bosn.2024.04.001">https://doi.org/10.1016/j.bosn.2024.04.001</a></div> </div> </div> </div> </div> </div> </div> </div>
Data for UV Plasmon-Enhanced Chiroptical Spectroscopy of Membrane-Binding Proteins, June 2024
<p>Extinction spectra of arrays of aluminum nanoparticles with diameters between 40 - 100 nm.</p> <p>Circular dichroism spectra of Tol-BINAP films on Al nanoparticle arrays before and after annealing of the films.</p> <p>Electromagnetic simulations of phase, electric (Eenh) field and magnetic (Henh) field enhancements as well as optical chirality density (Cenh) enhancement around flat aluminum hexagonal pyramid at specified wavelength. The simulations were performed with FDTD using Ansys Lumerical.</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.