Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
26
datasets available to search
ShareScore release 0.9.0
Dataset results
26 results for “halogen”
Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters
<p>Dataset for the publication: <strong>Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters</strong> by A. Singh, A. Torres-Huerta, T. Vanderlinden, N. Renier, L. Martínez-Crespo, N. Tumanov, J. Wouters, K. Bartik, I. Jabin, H. Valkenier, <em>Chem. Commun.</em> <strong>2022</strong>, doi:10.1039/D2CC008472E,</p> <p>containing:</p> <ul> <li>A file with the structures of compounds <strong>1</strong>-<strong>5</strong> (PDF)</li> <li>NMR spectra for the characterisation of compounds <strong>1a</strong>, <strong>1b</strong>, <strong>1c</strong>, <strong>2</strong>, and <strong>3</strong> (Mestrenova files)</li> <li>NMR spectra for the titration experiments with compounds <strong>1</strong><strong>-5</strong> in different solvents (Mestrenova files)</li> <li>Concentrations of Host and Guests in the various titration experiments (Excel file)</li> <li>Transport data in the lucigenin assay (Excel file)</li> <li>Transport data in the HPTS assay (Excel file)</li> </ul> <p> </p> <p> </p> <div> </div>
PACT-1D model version including polar halogen emissions - output files
<p>This dataset includes all output files created from the PACT-1D model (v1.0) developed with Arctic chlorine and bromine emission parameterizations. The PACT-1D source code used to create these output files is available at: https://doi.org/10.5281/zenodo.5654589.</p> <p> </p>
Predictive simulations of core electron binding energies of halogenated species adsorbed on ice surfaces from relativistic quantum embedding calculations
<p>This dataset collects the unprocessed (= outputs from calculations) and processed (= plots, average values for orbital and ionization energies) results discussed in the paper titled "Predictive simulations of core electron binding energies of halogenated species adsorbed on ice surfaces from relativistic quantum embedding calculations" by Richard Asamoah Opoku, Céline Toubin, and André Severo Pereira Gomes.</p>
McMurdo Dry Valleys Halogen chemistry and isotopic composition in McMurdo lake waters and pore fluids
As part of a collaborative investigation between researchers at Rice University, Arkansas State University, University of Rochester, and Ohio State University, lakes of the McMurdo Dry Valleys were sampled at discreet depth intervals during the 2005-2006 field season.  Sample splits were subsequently analyzed for chemical and isotopic composition of both gases and dissolved  ions, as well as dissolved organic carbon. In addition, cryogenic salts were sampled in the surrounding lake shores in order to determine the salt sources. Gravity cores were also obtained and the pore waters were collected by centrifuging the wet sediment.  Presented  in this file are the dissolved halogens :chloride, bromide, and total iodine in lake waters and pore waters. The isotopic composition of I-129 and Cl-36 are also presented for these same samples, as are the molar ratios of I-129/I-127, and Cl-36/Cl-37.  Alkalinity was also determined in order to subsequently investigate the relationship between the oxidation of organic matter and the release of iodine into the lake waters.
Data for The role of halogens in Au-S bond cleavage for energy-differentiated catalysis at the single-bond limit
<p>The source data for figures in <strong>The role of halogens in Au-S bond cleavage for energy-differentiated catalysis at the single-bond limit </strong></p>
Theoretical study of stability of halogen defective trihalide monolayers: cases of AlI3, AsI3 and IrBr3
<p>Please see ref:</p> <p>Lu, L.; Botella, R.; Cao, W. <em>Phys. Status Solidi B</em> <strong>2023</strong>, 2300001</p> <p>For more information about the dataset.</p>
Halogen-Bond-Based Organocatalysis Unveiled: Computational Design and Mechanistic Insights
<p>Please find the supporting information for the "Halogen-Bond-Based Organocatalysis Unveiled: Computational Design and Mechanistic Insights into Electronically Activated Donor Systems" paper here.</p><p> </p><p>Halogen-Bond-Based Organocatalysis Unveiled: Computational Design and Mechanistic Insights</p><p>Nika Melnyk, 1 Marianne Rica Garcia 1 and Cristina Trujillo 1,2</p><p>1Trinity Biomedical Sciences Institute, School of Chemistry, The University of Dublin, Trinity College, D02 R590 Dublin 2, Ireland</p><p>2Department of Chemistry, University of Manchester, Oxford Road, Manchester, M139PL</p><p>Email: cristina.trujillodelvalle@manchester.ac.uk</p><p> </p><p> </p>
Data from: Mineralization of a fully halogenated organic compound by persulfate under conditions relevant to in situ reduction and oxidation: Reduction of hexachloroethane by ethanol addition followed by oxidation
Open the record for dataset details and reuse information.
Gas phase acid, ammonia and aerosol ionic and trace element concentrations at Cape Verde during the Reactive Halogens in the Marine Boundary Layer (RHaMBLe) 2007 intensive sampling period
<p>The data files are in NASA Ames Format.</p> <p>A full description of the data set has been published in the journal<br> Earth System Science Data at http://www.earth-syst-sci-data.net/5/385.</p> <p> </p>
CESM Short lived Halogen simulation results for Roozitalab et al. (2023) in JGR-Atmospheres
<p>This dataset includes the data used for Roozitalab et al. (2023): "Measurements and modeling of the interhemispheric differences of atmospheric chlorinated very short-lived substances" in Journal of Geophysical Research - Atmospheres.</p>
Data from "Description and evaluation of the new UM-UKCA (vn11.0) Double Extended Stratospheric-Tropospheric (DEST vn1.0) scheme for comprehensive modelling of halogen chemistry in the stratosphere" by Bednarz et al., 2022
<p>Model output from the UM-UKCA simulations used in "Description and evaluation of the new UM-UKCA (vn11.0) Double Extended Stratospheric-Tropospheric (DEST vn1.0) scheme for comprehensive modelling of halogen chemistry in the stratosphere" by Bednarz et al. (2022), as well as plotting scripts used to make all figures.</p>
Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis
<p>Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis</p> <p>Email: cristina.trujillodelvalle@manchester.ac.uk</p> <p> </p> <p>Please find the supporting information for the "Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis" paper here.</p>
Raw data for "Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy"
<p>Raw data for "Signatures of Intra- and Intermolecular Vibrational Coupling in Halogenated Liquids Revealed by Two-Dimensional Raman-Terahertz Spectroscopy"</p>
Dataset produced by MOCAGE-1D model version R1.18.1 for volcanic halogen chemistry study
<p>The file data_files_MOCAGE_R1_18_1.tar contains the files produced by MOCAGE 1D model version R1.18.1 for the study of halogen chemistry in volcanic plumes. The data corresponds to the model experiments described in the preprint (https://doi.org/10.5194/gmd-2022-180). For each experiment (stored in a separate directory), hourly files are available and include the 1D profile of the chemical variables shown in the preprint. The files are called HMGLOB05+DATETIME.nc. For the experiments using the representation of the sub-grid scale plume chemistry, an additional set of files is produced that is called HMGLOB05+DATETIME_XCEN.nc. The HMGLOB05+DATETIME.nc and HMGLOB05+DATETIME_XCEN.nc files need to be combined to get the concentrations of chemical species at the model grid resolution as shown in the preprint (see additional notes section for explanation how to combine the files).</p>
Inflammatory Response Secondary Using Intravenous Anesthesia Versus Inhalation Anesthesia With Halogenated Agents
ClinicalTrials.gov study NCT02168751. IPD Sharing: Not stated. Countries: 1. Publications: 3.
Halogen-Substituted Ionic Liquids
<p>Pre-equilibrated systems for different size for AIMD for Halogen-Substituted Ionic Liquids.</p>
Dynamic Covalent Michael Acceptors to Penetrate Cells: Thiol-Mediated Uptake with Tetrel-Centered Exchange Cascades, Assisted by Halogen-Bonding Switche
<p>Original data</p> <p>1. Synthesis and Characterization</p> <p>Compounds <strong>7</strong>, <strong>9</strong>, <strong>10</strong>, <strong>11</strong>, <strong>13</strong>, <strong>14</strong>, <strong>16</strong>, <strong>33</strong>, <strong>34</strong>, <strong>36</strong></p> <ul> <li>Lab Book Page; <sup>1</sup>H and <sup>13</sup>C NMR; IR; HRMS</li> </ul> <p>Compound <strong>10 </strong>Stability Test</p> <ul> <li>Lab Book Page</li> <li>UV-Vis Absorption Spectra of <strong>10</strong> and <strong>41</strong> in PBS</li> <li>UV- Vis Absorption Spectra of <strong>10</strong> in Buffer After 72 h</li> <li>Kinetics 10 h in PBS; and in AMPSO Buffer</li> </ul> <p>Compound <strong>22</strong></p> <ul> <li>Lab Book Page</li> </ul> <p>Compounds <strong>47</strong>, <strong>48</strong>, <strong>53</strong>, <strong>55</strong>, <strong>56</strong></p> <ul> <li>Lab Book Pages; <sup>1</sup>H and <sup>13</sup>C NMR; IR</li> </ul> <p>2. Automated High-Content High-Throughput Screening</p> <ul> <li>Lab Book Pages and Data</li> </ul> <p>2.1. Inhibitor Screening with OPS Reporter</p> <p>2.2. Cellular Uptake of MAC Reporters</p> <p>2.3. Inhibitor Screening with MAC and CTO Reporters</p> <p>3. Protein Uptake</p> <p>3.1. Preparation and Cellular Uptake of Streptavidin Complexes</p> <ul> <li>Lab Book Page and Data</li> </ul>
The Effect of Acupressure and Halogen Light Stimulation on Nonstress Testing and Pregnant Anxiety
ClinicalTrials.gov study NCT05420883. IPD Sharing: NO. Countries: 0. Publications: 1.
The impact of the halogenated phenazine HP-29 on the transcriptome of Streptococcus mutans with or without zinc supplementation
GEO Series GSE296169. Streptococcus mutans UA159. 9 samples. Type: Expression profiling by high throughput sequencing.
DFT-predicted equilibrium structures of Ir(III) complexes for halogen bond-assisted chemo-sensors
<p>Fully relaxed equilibrium structures of <strong>IrF-XB</strong> (without chloride anion coordinated by halogen bonding) as well as <strong>IrF-XBCl</strong> (with chloride anion coordinated by halogen bonding), <strong>IrF-XBBr</strong>, <strong>IrF-XB-Acetate</strong> and <strong>(IrF-XB)2-Acetate</strong> as predicted at the DFT level of theory (B3LYP/def2-SVP) including D3BJ dispersion correction and implicit solvent effects (acetonitrile). All investigated Ir(III)-based molecular sensors were optimized in singlet and triplet multiplicity in order to (subsequently) evaluate the Franck-Condon photophysics as well as the properties of the emissive triplet state. The multiplicity is indicated in the filename.</p>
ScienceDex guides
Understand access before you commit
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.