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1,294 results for “reactions”
Dataset for Enhancing nitrogen reduction reaction through formation of 2D hybrid heterostructures of MoS2@rGO
<p>Dataset for publication Enhancing nitrogen reduction reaction through formation of 2D2D hybrid heterostructures of MoS2@rGO. All details about how to work with the dataset is included within the readme file.</p> <p> </p>
Intrinsic and Environmental Modulation of Stereoselective Aldol Organocatalyzed Reactions by Proline-Containing Lipopeptides
<p>Electronic Supplementar Information (ESI) for the "Intrinsic and Environmental Modulation of Stereoselective Aldol Organocatalyzed Reactions by Proline-Containing Lipopeptides" manuscript</p>
Reactions of cold argon plasma with condensed-phase peptides and proteins for mass spectrometry imaging and structural elucidation - ESI
<p>ESI data for the paper 'Reactions of cold argon plasma with condensed-phase peptides and proteins for mass spectrometry imaging and structural elucidation'.</p>
A model of spatio-temporal regulation within biomaterials using DNA reaction–diffusion waveguides
<p>In multi-cellular organisms, cells and tissues coordinate biochemical signal propagation across length scales spanning micrometres to metres. Designing synthetic materials with similar capacities for coordinated signal propagation could allow these systems to adaptively regulate themselves across space and over time. Here, we combine ideas from cell signalling and electronic circuitry to propose a biochemical waveguide that transmits information in the form of a concentration of a DNA species on a directed path. The waveguide could be seamlessly integrated into a soft material because there is virtually no difference between the chemical or physical properties of the waveguide and the material it is embedded within. We propose the design of DNA strand displacement reactions to construct the system and, using reaction-diffusion models, identify kinetic and diffusive parameters that enable super-diffusive transport of DNA species via autocatalysis. Finally, to support experimental waveguide implementation, we propose a sink reaction and spatially inhomogeneous DNA concentrations that could mitigate the spurious amplification of an autocatalyst within the waveguide, allowing for controlled waveguide triggering. Chemical waveguides could facilitate the design of synthetic biomaterials with distributed sensing machinery integrated throughout their structure and enable coordinated self-regulating programmes triggered by changing environmental conditions.</p>
Reaction-Induced Metal-Metal Oxide Interactions in Pd In2O3/ZrO2 Catalysts Drive Selective and Stable CO2 Hydrogenation to Methanol
<p>Ternary Pd-In<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub> systems hold promise as industrial catalysts for CO<sub>2</sub>-based methanol synthesis, but maximization of their productivity requires appropriate structuring of the active phase, promoter, and carrier. Here, we report that Pd-In<sub>2</sub>O<sub>3</sub>/ZrO<sub>2</sub> systems prepared by impregnation evolve into a unique catalyst architecture under CO<sub>2</sub> hydrogenation conditions, leading to selective and stable behavior. Detailed space and time-resolved <em>operando</em> characterization and simulations reveal that the restructuring process, completed within the first 30 min under reaction conditions, is governed by the energetics of metal-metal oxide interactions. The resulting architecture comprises InPd<em><sub>x</sub></em> alloy particles decorated by InO<em><sub>x</sub></em> layers, whose proximity is crucial to avoiding performance losses typically observed when palladium agglomerates. The findings highlight the potential beneficial role of reaction-induced restructuring in advancing catalyst design.</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>
Figure 1 in Quantitative phosphoproteomic analysis of chicken DF-1 cells infected with Eimeria tenella, using tandem mass tag (TMT) and parallel reaction monitoring (PRM) mass spectrometry
Figure 1. Proportion of serine, threonine, and tyrosine in phosphorylation sites.
Data from: Asymmetric autocatalytic reactions and their stationary distribution
<p>We consider a general class of autocatalytic reactions, that has been shown to display stochastically switching behaviour (Discreteness Induced Transitions) in some parameter regimes. This behaviour was shown to occur when either the overall species count is low, or when the rate of inflow and outflow of species is relatively much smaller than the rate of autocatalytic reactions. The long-term behaviour of this class was analyzed in Bibbona, Kim, Wiuf (J.Roy.Soc.Interface, 2020) with analytic formula for the stationary distribution in the symmetric case. We focus on the case of asymmetric autocatalytic reactions and provide a formula for an approximate stationary distribution of the model. We show this distribution has different properties corresponding to the distinct behaviour of the process in the three parameter regimes, in the Discreteness Induces Transitions regime, the formula provides the fraction of time spent at each of the stable points.</p>
Why is my community reacting like this? Understanding reactions in open-source communities
<p>In 2016, GitHub introduced the Reactions feature to facilitate the expression of sentiments and reduce noise in communications on its platform. Recent studies indicated that developers has been adopting the feature and was observed a reduction of noise on conversations inside the platform. However, the patterns of usage and profiles of users expressing these reactions in inside their communities remain underexplored. Identifying these patterns may help maintainers to better understand members' behaviors in their communities, and researchers to build supporting tools focused on users' reactions. This paper presents an initial study to (i) understand these interactions on open-source software communities, (ii) identify types of resources that receive the most reactions, (iii) analyzing seasonal factors influencing usage, and (iv) correlating the provided reactions with the roles of developers within the community. Preliminary results indicate that users primarily react to comments in Issues, with notable periods of heightened activity. Additionally, significant differences were observed between the reactions of maintainers and other members of the community.</p>
[Data augmentation in a TTL] - Fictive dataset (27.5M) with up to 5k reactions per template // (13'953 template extracted from USPTO-FULL IBM version)
<p>Full generated fictive dataset, containing 27.5M reactions with up to 5000 reactions per radius 1 reaction template (13'953 reaction templates from USPTO-full, IBM version).</p> <p>Title of the manuscript:</p> <p>"Data augmentation in a Triple Transformer Loop retrosynthesis model"</p> <p>Abstract: </p> <div> <div> <div> <div> <div> <div> <div> <div> <div> <div> <div dir="auto"> <div>Reactions in the US Patent Office (USPTO) are biased towards a few over-represented reaction types, which potentially limits its usefulness for computer-assisted synthesis planning (CASP). To obtain an equilibrated dataset, we applied retrosynthesis templates to USPTO molecules as products (P) to generate starting materials (SM). We then used transformer T2 from our recently reported triple transformer loop (TTL) retrosynthesis model to predict reagents (R) for the SM®P reaction. Finally, we validated the prediction by requesting a high confidence prediction (>95%) for the prediction of P from SM+R by TTL transformer T3. We generated up to 5,000 reactions per template, resulting in 27.5 million validated fictive reactions covering the chemical space of the original UPSTO dataset. To exemplify the use of this dataset, we show that a single-step retrosynthesis transformer model trained with a template equilibrated subset of 1,097,374 fictive reactions outperforms the corresponding model trained on USPTO reactions only.</div> </div> </div> </div> </div> </div> </div> </div> </div> </div> </div> </div> <div></div>
Muscle activity, ground reaction forces and pointing performance during postural control tasks in healthy adults
<p>To investigate the muscle coordination during postural control, we recorded muscle activity and postural dynamics in healthy human adults. Fourteen participants performed postural tasks in which postural stability and pointing behaviour was varied. The data set contains electromyography of 36 muscles distributed across the body and ground reaction forces recorded during postural control tasks. A full factorial design was used. Stability was either not challenged or challenged in the anterior-posterior or medial-lateral direction. In addition, participants were asked to either relax their arms or to perform an unimanual or a bimanual pointing task. In the pointing task, participants held a laser pointer and pointed it on a target in front of them. Pointing performance was recorded using a video recording of the laser beam on the target area.</p> <p>InformationData.pdf – Description of data acquisition and file structure<br> EMG.zip – EMG data<br> FP.zip – Force plate data<br> Video.zip – Video feed</p>
The Impact of Nuclear Reaction Rate Uncertainties on the Evolution of Core-collapse Supernova Progenitors
<p>MESA inlists associated with <a href="https://ui.adsabs.harvard.edu/#abs/2018ApJS..234...19F/abstract">Fields et al. (2018)</a>. MESA version 7624.</p> <p>Publication DOI: <a href="https://doi.org/10.3847/1538-4365/aaa29b">10.3847/1538-4365/aaa29b</a></p>
Consistent Modeling of GS 1826-24 X-Ray Bursts for Multiple Accretion Rates Demonstrates the Possibility of Constraining rp-process Reaction Rates
<p>MESA inlists and run_star_extras associated with <a href="https://ui.adsabs.harvard.edu/#abs/2018arXiv180505552M/abstract">Meisel (2018)</a>. MESA version 9793.</p> <p>Publication DOI: <a href="https://doi.org/10.3847/1538-4357/aac3d3">10.3847/1538-4357/aac3d3</a></p>
Ground reaction force metrics are not strongly correlated with tibial bone load when running across speeds and slopes: implications for science, sport and wearable tech
<p>An interactive user interface and the raw data from the manuscript titled: "Ground reaction force metrics are not strongly correlated with tibial bone load when running across speeds and slopes: implications for science, sport and wearable tech". </p>
S73 | METXBIODB | Metabolite Reaction Database from BioTransformer
<p>This is the collection associated with list S73 MetXBioDB Metabolite Reaction Database from BioTransformer on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>This dataset is extracted from the database behind BioTransformer (<a href="http://biotransformer.ca/">http://biotransformer.ca/</a>) by Yannick Djoumbou-Feunang, David S. Wishart and colleagues, for addition to the PubChem Transformations section. Change logs and version tracking at the <a href="https://git-r3lab.uni.lu/eci/pubchem/-/tree/master/annotations/tps/MetXBioDB">ECI GitLab site</a>.</p> <p>Please cite the BioTransformer article when using this set: <a href="https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5">https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0324-5</a></p> <p>NOTE: This deposition is work in progress ...</p> <p>Change log: 13 Oct: added InChIKey file. 16 Oct: updated substances with missing CIDs and transformations. 5/11 many bug fixes finally committed, added DTXSIDs. 22/6/2023 adjusted one CID that changed upon PubChem standardization. 15 Nov 2023: fixed typo in reaction description. 26 Feb 2024: corrected name for CID 65564. 6 Aug 2024: fixed many triazine synonyms.</p>
Supplementary XRD Material for "Experimental Constraints on Barium Isotope Fractionation during Adsorption-Desorption Reactions: Implications for Weathering and Erosion Tracer Applications"
<p><strong>Repository Overview:</strong> Supplementary powder X-ray diffraction (XRD) data for the study "Experimental Constraints on Barium Isotope Fractionation during Adsorption-Desorption Reactions: Implications for Weathering and Erosion Tracer Applications"</p> <p><strong>Data Provided:</strong> Powder X-ray diffractograms of the minerals used in the laboratory batch experiments. Pow</p> <p><strong>Minerals Analysed:</strong></p> <p><span>Clay Minerals:</span></p> <ul> <li>Kaolinite (KGa-2): purchased from the Clay Minerals Society (CMS).</li> <li>Montmorillonite (SWy-2): purchased from the Clay Minerals Society (CMS).</li> </ul> <p><span>Iron Oxyhydroxide Minerals:</span></p> <ul> <li>Goethite synthesised under alkaline conditions in the laboratories at the Department of Earth Sciences, University of Cambridge, following the method detailed in Schwertmann and Cornell (2008).</li> <li>2-line ferriydrite synthesised in the laboratories at the Department of Earth Sciences, University of Cambridge, following the method detailed in Schwertmann and Cornell (2008) methods.</li> </ul> <p><strong>XRD Methods:</strong></p> <ul> <li>Instrument and Set Up: Theta-Theta D8 Bruker Advance diffractometer with a Mo anode, Lynxeye XE-T PSD detector and 2 mm divergent slit.</li> <li>Sample Preparation: Zero-background monocrystalline silicon plate was used to minimize sample mass. The X-ray diffractogram of the silicon plate was measured prior to each sample measurement.</li> <li>Clay Minerals: 0.02° step size and a 3s step rate.</li> <li>Iron Oxyhydroxide Minerals: 0.03° increments and a 1s step rate.</li> </ul> <p><strong>Purpose of XRD Analyses:</strong></p> <ul> <li>To verify the correct synthesis of iron oxyhydroxide phases and to detect impurities.</li> <li>To monitor any mineralogical changes that occurred during adsorption-desorption reactions with water.</li> </ul> <p><strong>Data Format</strong></p> <table> <tbody> <tr> <td><strong>Column Name</strong></td> <td><strong>Description</strong></td> <td><strong>Unit</strong></td> </tr> <tr> <td>twotheta</td> <td>2θ</td> <td>°</td> </tr> <tr> <td>intensity</td> <td>intensity</td> <td>counts per second (cps)</td> </tr> <tr> <td>ID</td> <td>mineral ID</td> <td>unitless</td> </tr> <tr> <td>mineral</td> <td>mineral name</td> <td>unitless</td> </tr> <tr> <td>duration</td> <td>reaction duration</td> <td>minutes</td> </tr> </tbody> </table> <p><strong>Extra Notes</strong></p> <p>A reaction duration of zero minutes corresponds to an unreacted mineral sample.</p>
Baseline Performance and MAS reaction to network Anomalies in Demo 1
<p>Collected Latency data and packet captures for the demo described by the paper 10.5281/zenodo.12820942 "Augmented Reality App with AI-based Pervasive Latency Monitoring of RAN and Programmable Metro Packet-Optical Networks" presented during ICTON24 conference.</p>
Competing commercial catalysts: Unprecedented catalyst activity and stability of Mizoroki-Heck reaction in a continuous packed bed reactor
<p>This dataset contains the measurement data for figures (graphs) published in journal article:</p> <p>Competing commercial catalysts: Unprecedented catalyst activity and stability of Mizoroki-Heck reaction in a continuous packed bed reactor</p> <p>by Nemanja Vucetic, Pasi Virtanen, Andrey Shchukarev, Tapio Salmi and Jyri-Pekka Mikkola</p> <p>Published in: Chemical Engineering Journal, Volume 433, Part 1, 2022, 134432</p> <p>https://doi.org/10.1016/j.cej.2021.134432</p>
Tuned Bis-Layered Supported Ionic Liquid Catalyst (SILCA) for Competitive Activity in the Heck Reaction of Iodobenzene and Butyl Acrylate
<p>This dataset contains the measurement data for figures (graphs) published in journal article:</p> <p>Tuned Bis-Layered Supported Ionic Liquid Catalyst (SILCA) for Competitive Activity in the Heck Reaction of Iodobenzene and Butyl Acrylate</p> <p>by Nemanja Vucetic, Pasi Virtanen, Ayat Nuri, Andrey Shchukarev, Jyri-Pekka Mikkola, and Tapio Salmi</p> <p>Published in: Catalysts 2020, 10(9), 963 </p> <p>https://doi.org/10.3390/catal10090963 </p>
Reactzyme: A Benchmark for Enzyme-Reaction Prediction
<h3>Official dataset of <span>Reactzyme -</span> <span>Reactzyme: A Benchmark for</span><span>Enzyme-Reaction Prediction.</span></h3> <p><span>Our study utilizes a comprehensive dataset compiled from the SwissProt and Rhea databases. SwissProt, a curated subset of the UniProt database, has been selected for its high-quality, human-derived functional annotations of protein sequences. This section of UniProt is particularly valuable for its expert-reviewed entries, which ensure reliable and accurate functional data, making it ideal for our analysis. Rhea is employed for its precise mapping from enzymes to specific catalyzed functions, offering detailed descriptions of biochemical reactions. </span></p> <p><span>The SwissProt and Rhea dataset are downloaded on January 8, 2024, and includes data entries up to this date, providing the most recent and comprehensive data available for our study. We selectively exclude water molecules and unspecific functional groups that could mask the true molecular structures. Conversely, we remove metal ions, gas molecules, and other small molecules because of their potential to bind to proteins, a characteristic that presents a valuable learning feature for our model. To this end, the total dataset comprises 178,463 positive enzyme-reaction pairs, including 178,327 unique enzymes and 7,726 unique reactions. </span></p>
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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.