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.
1,723
datasets available to search
ShareScore release 0.9.0
Dataset results
1,723 results for “Reactivation”
Dataset for Sulfidation of air-stable iron nanoparticles: A novel strategy how to boost their reactivity demonstrated on Cr(VI) reduction
<p><strong>This repository contains data from the manuscript:</strong></p> <p>Víchová, V., Oborná, J. K., Petr, M., Soukupová, J., Pechancová, R., Pluháček, T., & Filip, J. (2024). Sulfidation of air-stable iron nanoparticles: A novel strategy how to boost their reactivity demonstrated on Cr (VI) reduction. <em>Journal of Water Process Engineering</em>, <em>67</em>, 106246. <a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.jwpe.2024.106246" target="_blank" rel="noreferrer noopener">https://doi.org/10.1016/j.jwpe.2024.106246</a></p> <p><strong>Abstract of the manuscript:</strong></p> <p>Sulfidated zero-valent iron nanoparticles (S-nZVI) have been extensively studied as environmentally promising<br>alternative material, which enables reduction of variety of extremely dangerous pollutants directly in the<br>environment. However, synthesis and manipulation with these extremely reactive/pyrophoric nZVI particles<br>represents a challenge and requires special precautions. In this study, we report a synthesis of S-nZVI from airstable<br>core-shell nZVI, which reactivity with contaminants and properties are comparable with the commonly<br>prepared S-nZVI particles (where the precursor was bare/pyrophoric nZVI particles). The undeniable novelty<br>dwells in the simplicity of the synthetic process, which ensures consequential safe and easy handling, manipulation,<br>and application of S-nZVI particles. This material, especially highly effective against halogenated organic<br>compounds and heavy metals, was characterized in detail and its advanced characteristics were evaluated in the<br>process of hexavalent chromium (Cr(VI)) reduction from model aqueous solutions and polluted groundwater.<br>The results offer valuable insights into the preparation of a novel nanomaterial with high application potential in<br>the effective degradation of heavy metals in polluted water. Overall, the novel way prepared S-nZVI particles,<br>designed for the potential large-scale production, eliminates the drawbacks of S-nZVI synthesized from bare nZVI<br>particles and offers the effective material suitable for any on-site application.</p>
Dataset: Measurements and simulations of rate coefficients for the deuterated forms of the H2+ + H2 and H3+ + H2 reactive systems at low temperature
<p>Raw measurement data and processign scripts used to produce the reaction rate results in the paper: "Measurements and simulations of rate coefficients for the<br>deuterated forms of the H2+ + H2 and H3+ + H2 reactive systems at low temperature" by Miguel Jiménez-Redondo, Olli Sipilä, Pavol Jusko, and Paola Caselli;</p> <p>DOI: <a href="https://doi.org/10.1051/0004-6361/202451757">10.1051/0004-6361/202451757</a></p>
Reactivation of hedonic but not sensory representations in human emotional learning
<p>This repository contains data used in the following papers</p> <p>Reactivation of hedonic but not sensory representations in human emotional learning<br> Ehlers MR, Kryklywy JH, Beukers AO, Moore SR, Forys BJ, Anderson AK, Todd RM<br> https://doi.org/10.1101/2021.11.25.469891</p>
Raw data for the article: Successful Use of Heterologous CMV-Reactive T Lymphocyte to Treat Severe Refractory Cytomegalovirus (CMV) Infection in a Liver Transplanted Patient: Correlation of the Host Antiviral Immune Reconstitution with CMV Viral Load and CMV miRNome
<p>Cytomegalovirus (CMV) infection is the most significant viral infection in hosts with compromised immune systems as solid organ transplant patients. Despite significant progress being made in the prevention of CMV disease in these patients, further therapeutic strategies for CMV disease and for the CMV reactivation prevention are needed. Here, we describe the outcome of the infusion of in vitro expanded CMV-reactive T-cells, taken from a healthy CMV-seropositive donor, in a liver-transplanted recipient with a refractory recurrent CMV. In this particular case, adoptive transfer of allogenic CMV-reactive T-lymphocytes resulted in the clearance of CMV infection and resolution of the pathological manifestations of the patient. In the study we also investigated circulating miRNAs, both cellular and viral, as potential biomarkers during the course of CMV infection. The results indicate that the infusion of allogenic CMV-reactive T-cells can be an effective strategy to treat CMV infection recurrence when the generation of autologous virus specific T cell clones is not possible.</p>
Data for the study for total OH reactivity measurements in a suburban site of Shanghai
<p>The experimental results of interference corrections in the CRM system in the campaign of the measured total OH reactvity in a suburban of Shanghai. In addition, the time series of NMVOCs, calculated and measured total OH reactvity in a suburban of Shanghai. </p>
The combined impact of persistent infections and human genetic variation on C-reactive protein levels
<p>GWAS summary statistics for high-sensitive C-reactive protein (hsCRP) levels, and list of the 1809 SNPs included in the hsCRP polygenic risk score (CRP-PRS) calculation. </p>
Self-propagation of reactive Al/Ni multilayers with textured surface topography
<p>Reactive multilayer systems (RMS) were fabricated by magnetron sputtering deposition of Al and Ni nanolayers on a copper substrate with textured surface topography, the copper substrate was subsequently removed in order to obtain free-standing RMS. The morphology of the substrate surface impacted the microstructure of the produced RMS, therefore the RMS have a textured surface. The samples were papered with a surface texture in different orientations (0°, 45°, and 90°). Besides RMS with the same characteristics were prepared on Si wafer (flat surface) in order to compare the propagation behavior of the RMS with a textured surface and RMS with a relatively flat surface. During the ignition test, the propagation front was recorded by a High-Speed camera with a resolution of 50,000 fps. In the videos, it is possible to observe the effect of the textured surface of the RMS on the propagation front of the reaction.</p>
A small CO2 leakage may reactivate a sub-seismic fault in a good-porosity clastic saline aquifer
<p>Seismograms.h5: HDF5 data set that contains the raw seismograms for all the 19 events (named ‘/event_X’ for the X-th event). Each seismogram contains 909 channels and 7000 samples for each trace, with a sampling frequency 1 kHz. The channel identification is stored in ‘/receiver_coordinates’, a 909 by 6 array, with the six columns having receiver line number, station number within the line, station name, UTM (zone 54H) easting (meters), UTM (zone 54H) northing (meters), and elevation (meters).</p>
Obesity and acute stress modulate appetite and neural responses in food word reactivity task
<p>Data used in "Carnell S, Benson L, Papantoni A, Chen L, Huo Y, Wang Z, Peterson BS, Geliebter A. Obesity and acute stress modulate appetite and neural responses in food word reactivity task. PloS one"</p>
Supplemental data files for: Magnetotelluric data reveals subduction polarity and reactivation of the Mudanjiang suture zone, Northeast China
<p>Data files for a 3-D electrical resistivity model in the Mudanjiang suture zone area, including the observed MT data (the data format is for 3-D inversion using ModEM), and the preferred resistivity model.</p>
ROS-specific Huntingtin Interactions: GFP reactivation assay WT vs HD mouse striatal cells second attempt
<p>Optimization step in the lead up to phenotypic analysis of ROS-dependent huntingtin interacting proteins.</p>
ROS-specific Huntingtin Interactions: GFP reactivation assay WT vs HD mouse striatal cells
<p>Optimization step in the lead up to phenotypic analysis of ROS-dependent huntingtin interacting proteins.</p>
ROS-specific Huntingtin Interactions: GFP reactivation assay optimization in HEK 293 cells
<p>Optimization step in the lead up to phenotypic analysis of ROS-dependent huntingtin interacting proteins.</p>
ROS-specific Huntingtin Interactions: GFP reactivation assay in HD patient fibroblasts
<p>Optimization step in the lead up to phenotypic analysis of ROS-dependent huntingtin interacting proteins. </p>
Inhibitors and reactivators of acetylcholinesterase - structural and computational insight [dataset]
<div> <p>The dataset comprises:<br>i) AlphaFold predictions for acetylcholinesterase<br>ii) MD simulations input files <br>iii) PyMOL sessions from AQUA-DUCT calculations</p> </div>
Data for article: 'Synthesis and Reactivity of an Anionic Diazoolefin'
<p>This upload contains raw data (NMR, Mass, IR, UV) files for the article: </p> <p>Bastiaan Kooij, Zhaowen Dong, Farzaneh Fadaei-Tirani, Rosario Scopelliti, and Kay Severin,</p> <p>'Synthesis and Reactivity of an Anionic Diazoolefin' </p> <p>Angew. Chem. Int. Ed. <strong>2023</strong>, DOI: 10.1002/anie.202308625</p>
Proactive management outperforms reactive actions for wildlife disease control
<p>Finding effective pathogen mitigation strategies is one of the biggest challenges humans face today. In the context of wildlife, emerging infectious diseases have repeatedly caused widespread host morbidity and population declines of numerous taxa. In areas yet unaffected by a pathogen, a proactive management approach has the potential to minimize or prevent host mortality. However, we typically lack critical information on the disease dynamics in a novel host system, have limited empirical evidence on efficacy of management interventions, and lack validated predictive models. As such, quantitative support for identifying effective management interventions is largely absent, and the opportunity for proactive management is often missed. Here, we consider the potential invasion of the chytrid fungus, <em>Batrachochytrium salamandrivorans</em>, whose expected emergence in North America poses a severe threat to hundreds of salamander species in this global salamander biodiversity hotspot. We developed and parameterized a dynamic multi-state occupancy model to forecast host and pathogen occurrence, following expected emergence of the pathogen, and evaluated the response of salamander populations to different management scenarios. Our model forecasts that taking no action is expected to be catastrophic to salamander populations. We also show that proactive action is expected to maximize host occupancy outcomes compared to 'wait and see' reactive management, thus providing quantitative support for proactive management opportunities. Additionally, we found that Bsal eradication is unlikely under any evaluated management options. Contrary to our expectations, even early pathogen detection had little effect on Bsal or host occupancy outcomes. Our analysis provides quantitative support that proactive management is the optimal strategy for promoting persistence of disease-threatened salamander populations. Our approach fills a critical gap by defining a framework for evaluating management options prior to pathogen invasion and can thus serve as a template for addressing novel disease threats that jeopardize wildlife and human health.</p>
Supporting files for "Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme."
<p>The archived folder contains the trajectory reported in the paper "Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme" by S. Forget, E. Duboue-Dijon, G. Stirnemann, <em>J. Chem. Theory Comput.</em> 2024, as well as all the input and force field files necessary to repeat the simulations, using the Gromacs software.</p> <p>The Subdirectory "Procedures" contains:</p> <ul> <li>the explicit descriptions of the equilibration procedures with the mdp parameter files of each equilibration steps.</li> <li>3 scripts which are run to generate the replicas of REST2 simulations.</li> </ul> <p>For any additional information, the authors can be contacted by email: <a rel="noreferrer">selene.forget@gmail.com</a> and guillaume.stirnemann@ens.psl.eu</p>
Capturing chemical reactions inside biomolecular condensates with reactive Martini simulations
<p>Supporting data for publication "Capturing chemical reactions inside biomolecular condensates with reactive Martini simulations". Contains initial and final simulation snapshots of each simulation condition, and the cluster analysis used to determine the macrocycle size.</p> <p> </p>
Somatic hypermutation-mediated paratope flexibility improves the cross-reactivity of human malaria antibodies -- Molecular Dynamics dataset
<p>4493 Manuscript Data<br>====================</p> <p>author: Anton Hanke<br>size of uncompressed folder: ~19Gb.<br>DOI: 10.5281/zenodo.11470585</p> <p># Standard MD simulation data</p> <p>Standard Simulations were generated with gromacs 2021.5 using the charmm36m forcefield Juli 2021 release tarball (https://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jul2021.ff.tgz).<br>Post processed (PBC) simulations are structured as follows:<br>Mature generally refers to the wildtype 4493 antibody.</p> <p>- simulations/standardMD<br> |<br> |- prod.mdp example production mdp file used to run all production simulations.<br> |<br> |- mature Mature simulation set. (folder and file naming the same in all simulation directories)<br> | |- {peptide}_{replicate}_prod.gro {peptide} = peptide; {replicate} = standard MD replicate<br> | |- {peptide}_{replicate}_prod.tpr<br> | `- {peptide}_{replicate}_prod_align_noPBC.xtc (10Frames/ns)<br> |<br> |- mature_rerun Additional set of replicates with the wildtype 4493.<br> |- matureCapped Set of simulations with termini capped peptides<br> |- mature_nanpv2 Set of simulations with NPDP similar positioning of NANP<br> |- wo_pep Set of simulations without peptides for germline and mature<br> `- germline Set of germline simulations.</p> <p><br># RAMD simulation data</p> <p>RAMD simulations were generated with gromacs_2020.5 patched with RAMDv2 modified to account for the connected multiple ligand groups.<br>(Source code provided as tar file ./sw/gromacs_ramd_patchv2.tar.gz)</p> <p>Not all trajectories contain an unbinding event (gromacs CUDA bug.). <br>These trajectories were not considered in the analysis of simulations. </p> <p>- simulations/ramd<br> |<br> |- prod.mdp Exemplary production mdp file with RAMD settings, these were used in all trajectories w/<br> | differing RAMD random seed.<br> |<br> |- mature_2.625kcalmolA_4.0_3.0<br> | |- {peptide}_{replicate}_prod_{startFrame}.gro {peptide} = peptide; {replicate} = standard MD replicate; {startFrame} = Frame in standard MD used to start simulation.<br> | |- {peptide}_{replicate}_prod_{startFrame}.tpr<br> | |- {peptide}_{replicate}_prod_{startFrame}.ndx<br> | |- {peptide}_{replicate}_prod_{startFrame}_align_noPBC.xtc (100Frames/ns) Files omited due to size -- available on request.<br> | `- {peptide}_{replicate}_prod_{startFrame}_lastframe.pdb Last frame of the processed RAMD trajectory.<br> `- gl_2.625kcalmolA_4.0_3.0</p> <p><br># Analysis</p> <p>- analysis<br> |<br> |- entropie Quasi harmonic entropy estimation.<br> | |- inp Concatenated & Bootstrapped, coarse-grained and aligned trajectories of all systems<br> | |- out CPPTRAJ runs to calculate QHE on the bootstrapped trajectories<br> | |- run_complex.sh Script running analysis.<br> | |- ana.py Script to calculte average and std of QHE for each system. (generates *.out *.tsv *.png)<br> | |- cg.py Script used to bootstrap, coarse-grain align and build average structure with.<br> | `- delta_entropies.ods Excel file used to calculate Tab 1. in Main text of paper from entropies.out.<br> |<br> |- mmpbsa MMPBSA calculations (MM + SolvEnergy) with gmx_MMPBSA<br> | |- inp Input trajectories and topologies processed for MMPBSA<br> | |- out/gmx_mmpbsa Output directories in which gmx_MMPBSA was run.<br> | | ` *.dat Output files containing calculated energy terms from gmx_MMPBSA.<br> | |- mmpbsa.in MMPBSA input file used to run analysis.<br> | |- plot_results.py Python script to plot correlation of MMPBSA output with experimental data<br> | |- pca_eig_extr.py Script to reduce simulations to regions of high probability density within trajectory (not used in the present analysis)<br> | |- slurm-91315023.out Log file of the analysis run<br> | `- run_mmpbsa.sh Shell script to run the MMPBSA analysis (generates input and output file trees).<br> |<br> `- ramd RAMD analysation.<br> |- run.sh Shell script to run the analysis<br> |- run_ramd_ana.py Python script called by `run.sh` to run the analysis using `ramdAnalysis.py`<br> |- contact_clusters.py Python script to generate plots based on output of the analysis.<br> |- ramdAnalysis.py Python module containing analysis classes called/used within `run_ramd_ana.py`<br> | Based on tauRAMD & Fingerprint analysis by Dr. Daria Khokh (https://doi.org/10.1021%2Facs.jctc.8b00230; https://doi.org/10.1063%2F5.0019088)<br> |- abrun.* Log files from the present run<br> |- *.svg; *.png Analysis output files.<br> |- tramd_patchv2/ Output PDB structures from the analysis (excluded due to size, available on request)<br> `- representatives.pse Pymol session of cluster representatives along unbinding for germline and wildtype with contact probabilities within the<br> cluster mapped as b-factor.</p> <p># Figures</p> <p>- figure_pdbs PDB files (and pymol sessions) used to generate figures in the papers main text.</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.