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6 results for “liquid jet”
Imaging Temperature and Thickness of Thin Planar Liquid Water Jets in Vacuum - data
<p>Data set pertaining to the article "Imaging Temperature and Thickness of Thin Planar Liquid Water Jets in Vacuum", published in <em>Struct. Dyn.</em> 10, 034901 (2023), <a href="https://doi.org/10.1063/4.0000188" target="_blank" rel="noopener">https://doi.org/10.1063/4.0000188 </a>.</p> <p>The following data are provided:</p> <table> <tbody> <tr> <td>(zip-)file/Folder</td> <td>Description</td> <td>Format</td> <td>Extension</td> </tr> <tr> <td>IR_images/calibration_data/vacuum</td> <td> <p>Snapshots from a thermographic movie of our flat jet running in vacuum, at thirty different background temperature. (A snapshot shown in Fig. 3a, rhs.)</p> </td> <td> <p>temperature values per camera pixel (°C), 640 row * 480 columns, semicolon-separated ascii data</p> </td> <td>.asc</td> </tr> <tr> <td>IR_images/calibration_data/1atm</td> <td>As above, for our flat jet running in atmosphere. (Three snapshots shown in Fig. 2a.)</td> <td>as above</td> <td>.asc</td> </tr> <tr> <td>IR_images/calibration_data/chipnozzle</td> <td>As above, for a flat jet produced from a chip nozzle, and running in atmosphere.</td> <td>as above</td> <td>.asc</td> </tr> <tr> <td>IR_images/raw_data</td> <td>As above, for various conditions of the flat jet environment as detailed in table exp_settings.csv.</td> <td>as above</td> <td>.asc</td> </tr> <tr> <td>IR_video</td> <td>Two thermographic movies recorded of our flat jet at varied conditions of the jet environment detailed in table chamber_pressure.pdf.</td> <td>Radiographic image stream, suitable for opening with free software Optris Pix Connect.</td> <td>.ravi</td> </tr> <tr> <td>FJ_cooling_2D.mph</td> <td>Input file for 2D finite element simulation of our flat jet.</td> <td>Input file suitable for Comsol software, proprietary format.</td> <td>.mph</td> </tr> <tr> <td>Y_Z_Temp_Comsol.txt</td> <td>Ascii representation of our simulated temperature profile (Fig. S7 (SI)).</td> <td>List of (y,z,T) tupels, with (y,z) in m and T in °C.</td> <td>.txt</td> </tr> </tbody> </table> <p> </p> <p>In case you have any questions regarding this data set please contact: Uwe Hergenhahn, uhe@fhi.mpg.de .</p>
Dataset of "Liquid-Jet Photoemission Spectroscopy as a Structural Tool: Site-Specific Acid-Base Chemistry of Vitamin C"
<p>Liquid-jet photoemission spectroscopy (LJ-PES) directly probes the electronic structure of solutes<br>and solvents. It also emerges as a novel tool to explore chemical structure in aqueous solutions, yet<br>the scope of the approach has to be examined. Here, we present a pH-dependent liquid-jet photoelectron<br>spectroscopic investigation of ascorbic acid (vitamin C). We combine core-level photoelectron<br>spectroscopy and ab initio calculations, allowing us to site-specifically explore the acid-base chemistry<br>of the biomolecule. For the first time, we demonstrate the capability of the method to simultaneously<br>assign two deprotonation sites within the molecule. We show that a large change in chemical shift<br>appears even for atoms distant several bonds from the chemically modified group. Furthermore, we<br>present a highly efficient and accurate computational protocol based on a single structure using the<br>maximum overlap method for modeling core-level photoelectron spectra in aqueous environments.<br>This work poses a broader question: To what extent can LJ-PES complement established structural<br>techniques such as nuclear magnetic resonance? Answering this question is highly relevant in view<br>of the large number of incorrect molecular structures published.</p>
How does Mg2+(aq.) interact with ATP(aq.)? Observations through the lens of liquid-jet photoelectron spectroscopy - data
<p>Dataset pertaining to the article "How does Mg2+(aq) interact with ATP(aq)? Biomolecular Structure through the Lens of Liquid-Jet Photoemission Spectroscopy", published in Journal of the American Chemical Society (<a href="https://doi.org/10.1021/jacs.4c03174" target="_blank" rel="noopener">doi: 10.1021/jacs.4c03174</a>). Here, we arrive at new information on the interaction of ATP with Mg under physiological conditions by interpreting photoelectron spectra and intermolecular Coulombic decay from a liquid microjet.</p> <p>Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.07, see<br>https://www.nexusformat.org/<br>https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html<br>NeXus data files can be opened with any software capable of opening hdf5-structured files. The following viewers are adapted to the specifics of the NeXus data format:<br>* nexpy (distributed with python)<br>* https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium)</p> <p>In each NeXus file-entry, two types of spectra are shown:<br>1. Sweep-averaged spectra, integrated over the non-dispersive coordinate of our detector ('data'). For ATP spectra, the ADP overview spectrum, and ADP/Mg2+ Mg 2s spectra, a binding energy correction shifting the liquid 1b1 feature to 11.33 eV is applied.<br>2. As-measured data ('raw').</p> <p>Files with extension .txt are comma-separated ascii-files.</p> <p><br>The following files are provided:</p> <p>Photoemission data pertaining to adenosine phosphate PES measurements:<br>atp-mg.h5 - ATP photoemission spectra in the presence of Mg2+ cations in varying concentration<br>adp-mg.h5 - ADP photoemission spectra in the presence of Mg2+ cations in varying concentration<br>amp-mg.h5 - AMP photoemission spectra in the presence of Mg2+ cations (a single concentration)<br>atp-adp-amp.h5 - ATP, ADP, AMP photoemission without Mg admixture<br>mg-only.h5 - Mg 2s core level spectra without ATP<br>tham-only.h5 - VB band measured with only THAM (tris(hydroxymethyl)aminomethane), used as buffer for pH stabilization<br>atp-icd.h5 - ATP photoemission spectra in the presence of Mg2+ cations, kinetic energy range of ICD features (publication is based on the last three entries).<br><br></p> <p>Numeric representations of the traces shown in the article's figures:<br>Figure_3-data.txt<br>Figure_5a-Mg2p.txt<br>Figure_5a-Mg2s.txt<br>Figure_5a-Mgonly.txt<br>Figure_5a-P2p.txt<br>Figure_5a-P2s.txt<br>Figure_5b.txt<br>Figure_5c.txt<br>Figure_6-ADP.txt<br>Figure_6-AMP.txt<br>Figure_6-ATP.txt<br>Figure_8a-data.txt<br>Figure_S2-Tris.txt<br>Figure_S2-Tris_with_Mg2+.txt<br>Figure_S4-data.txt.</p> <p>Version history<br>3: updated to reflect changes in Figure numbering between ArXiv-post and version published in JACS, additional Figure 5-data added<br>2: NeXus-data added<br>1: initial upload</p> <p>Contact person for questions regarding this data set: Uwe Hergenhahn, uhe@fhi.mpg.de . If you use these data for your scientific work we are curious to learn about it.</p>
Liquid-Jet Photoemission Spectroscopy as a Structural Tool: Site-Specific Acid-Base Chemistry of Vitamin C
<p>Dataset pertaining to the article "Liquid-Jet Photoemission Spectroscopy as a Structural Tool: Site-Specific Acid-Base Chemistry of Vitamin C", submitted to Physical Chemistry Chemical Physics. Here, we demonstrate how liquid-jet photoemission spectroscopy can be systematically used for chemical analysis, probing tautomeric forms and deprotonation sites in aqueous vitamin C. We also present a fast and reliable computational protocol to model the spectra.</p> <p> </p> <p>Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.07, see<br>https://www.nexusformat.org/<br>https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html<br>NeXus data files can be opened with any software capable of opening hdf5-structured files. The following viewers are adapted to the specifics of the NeXus data format:<br>* nexpy (distributed with python)<br>* https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium)</p> <p><br>The following files are provided:</p> <p><strong>Photoemission data pertaining to vitamin C PES measurements:</strong></p> <p>vitamin-C.h5</p> <p> </p> <p><strong>Computational data for Figures 3, 5, and 6: binding energy values (plain text) from which the spectra were modeled, optimized molecular geometries (XYZ coordinates, distances in angstroms) used in the calculations, and a sample input for the binding energy calculation. All data for each figure are packed in a zip file.</strong></p> <p>COMPUTATIONAL-DATA-Fig3.zip<br>COMPUTATIONAL-DATA-Fig5.zip<br>COMPUTATIONAL-DATA-Fig6.zip<br><br><br></p> <p><strong>Numeric representations of the traces shown in the article's figures (space-separated or comma-separated ascii-files):</strong></p> <p><strong>Figure 3:</strong><br>EXPT.dat<br>TAUTOMER-A.dat<br>TAUTOMER-B.dat<br>C2.dat<br>C3.dat<br>C5.dat<br>C6.dat<br>C2+C3.dat<br>C2+C5.dat<br>C2+C6.dat<br>C3+C5.dat<br>C3+C6.dat<br>C5+C6.dat</p> <p><strong>Figure 5:</strong><br>EXPT.dat<br>TAUTOMER-A.dat<br>C3.dat<br>C2+C3.dat</p> <p><strong>Figure 6:</strong><br>EXPT.dat<br>C3.dat<br>C3-UFF-ensemble.dat<br>C3-Bondi-single.dat<br>C3-Bondi-ensemble.dat<br>TAUTOMER-A.dat<br>TAUTOMER-A-ensemble.dat<br>C2+C3.dat<br>C2+C3-ensemble.dat</p> <p><strong>Figure S1:</strong><br>EXPT.dat<br>EXPT-850eV.dat</p> <p> </p> <p>Version history:<br>4: Data from version 2 reuploaded<br>3: Experimental NeXus-data added<br>2: Computational data and figure traces added<br>1: Initial upload</p> <p>Contact person for questions regarding this data set: Lukas Tomanik, tomanikl@vscht.cz . If you use these data for your scientific work we are curious to learn about it.</p>
VatsalSy/IITR-ThesisTemplate: Understanding of the mutual interactions between liquid jets: entrainment and sheet formation
<p>Thesis template for IIT Roorkee Master and Ph.D. theses</p>
Validation of a Newly Developed Liquid Jet Aesthesiometer
ClinicalTrials.gov study NCT02999035. IPD Sharing: NO. Countries: 0. Publications: 3.
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