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1,294 results for “reactions”
The first research task in the project entitled "Research on the electrodialytic recovery of selected hydrophilic ionic liquids from post-reaction solutions" - NCN project SONATA-17, grant no. 2021/43/D/ST8/02776.
<p><span>The first research task carried out under the project concerns study on the effectiveness of the selected hydrophilic ILs transport across ion-exchange membranes. The information relates to research performing for the NCN project SONATA-17, grant no. </span><span>2021/43/D/ST8/02776</span><span>.</span></p>
The third research task in the project entitled "Research on the electrodialytic recovery of selected hydrophilic ionic liquids from post-reaction solutions" - NCN project SONATA-17, grant no. 2021/43/D/ST8/02776.
<p><span>The third research task carried out under the project concerns <span>development of mathematical model to describe the transport of ionic liquid in the electrodialysis process. </span>The information relates to research performing for the NCN project SONATA-17, grant no. </span><span>2021/43/D/ST8/02776</span><span>.</span></p>
Fig1. Gel electrophoresis 2 in Promising use of Polymerase Chain Reaction Associated to Reverse Transcription for the Detection ofthe America-1 Lineage of Canine Distemper Virus
Fig1. Gel electrophoresis 2% agarose
Fig2. Gel electrophoresis Agarose 2 in Promising use of Polymerase Chain Reaction Associated to Reverse Transcription for the Detection ofthe America-1 Lineage of Canine Distemper Virus
Fig2. Gel electrophoresis Agarose 2%.
Vesicle and reaction-diffusion hybrid modeling with STEPS
<p>This repository, a snapshot from Github public repository <a href="https://github.com/CNS-OIST/STEPS_Validation/tree/main/vesicles">https://github.com/CNS-OIST/STEPS_Validation/vesicles</a>, contains all data and modeling scripts to reproduce the data presented in: </p> <p>Iain Hepburn, Jules Lallouette, Weiliang Chen, Andrew R. Gallimore, Sarah Y. Nagasawa-Soeda, Erik De Schutter (2024) Vesicle and reaction-diffusion hybrid modeling with STEPS. Communications Biology 7(1):573. doi:10.1038/s42003-024-06276-5</p> <p>The repository contains README files with instruction for how to run the model scripts and reproduce the figures.</p> <p>The work presented is based on the simulator STochastic Engine for Pathway Simulation (STEPS) version 5.0.1, which is publicly availble from: https://github.com/CNS-OIST/STEPS/releases/tag/5.0.1 </p> <p> </p>
Mesh and velocity fields for "Resolving Pore-scale Concentration Gradients for Transverse Mixing and Reaction in Porous Media"
<p>This dataset contains the data needed to reproduce the results in the manuscript "Resolving Pore-scale Concentration Gradients for Transverse Mixing and Reaction in Porous Media". The three folders refer to (1) uniform flow, (2) flow through a bead pack, and (3) flow through a Berea sample (from the 11 sandstones repository, Digital Rocks Portal). The meshes and the velocity fields (in the subfolder "velocity") are in a HDF5 format. The meshes and velocity fields can be read using FEniCS version 2019.2.0. The velocity fields need 2nd order Lagrange tetrahedral elements.</p>
The proteolytic cleavage of TLR8 Z-loop by furin protease - molecular recognition, reaction mechanism and role of water molecules DATASET_v2
<p>The dataset comprises:<br>i) AlphaFold-Multimer predictions for TLR8LRR-furin complex<br>ii) The optimised structures of QM cluster models for reactant (RE), intermediate1-3 (INT1-INT3), and product (PROD)<br>iii) The optimised structures of QM/MM model for RE, INT1-INT3, PROD<br>iv) Input structures used in MD simulations and parameterization files for non-standard residues for RE, INT1-INT3, PROD<br>v) PyMOL sessions from AQUA-DUCT calculations for RE, INT1-INT3, PROD</p>
Dataset for publication Reaction Mechanism and Performance of Innovative 2D Germanane-Silicane Alloys SixGe1−xH Electrodes in Lithium-Ion Batteries
<p>A dataset for publication Datase for publication Reaction Mechanism and Performance of Innovative 2D Germanane-Silicane Alloys SixGe1−xH Electrodes in Lithium-Ion Batteries including all relevant data used in the manuscript. Information on how to use the dataset are included in the readme file.</p>
Pathway-based, reaction-specific annotation of disease variants for elucidation of molecular phenotypes
<p>Supplementary Tables and Supplementary Methods for the research article "Pathway-based, reaction-specific annotation of disease variants for elucidation of molecular phenotypes" published in Database.</p>
OEtiBCh structures at 10 different levels of theory, full reaction pathways
<p>The archive contains full reaction pathway of MeCl reduction by OEtiBCh at 10 different levels of theory as xyz coordinates.</p>
Dataset for Direct Chemical Lithography Writing on 2D Materials by Electron Beam Induced Chemical Reactions
<p>The dataset contains all relevant data and figures regarding the Figure 4, S4 and S5 of manuscript "Direct Chemical Lithography Writing on 2D Materials by Electron Beam Induced Chemical Reactions".</p> <p>All Figures are in tiff format and all relevant data are in csv formats. </p> <p>The data in csv format are labelled as specified in the corresping images (e.g. Figure4a.csv file corresponds to data used to plot graphs from Figure4a etc.). </p> <p>Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the csv file, the conditions can also be found at the beginning of corresponding columns.</p>
Functionalized graphene via a one pot reaction enabling exact pore sizes, modifiable pore functionalization and precision doping - JACS
<p>The dataset uploaded herein is associated with the paper published under the title "<em>Functionalized graphene via a one pot reaction enabling exact pore sizes, modifiable pore functionalization and precision doping</em>" with the American Chemical Society - Jouranl of the American Chemical Society. This dataset includes the .vasp files for all modeled structures, the INCAR for geometry optimizations, the KPOINTS for the generated band structure diagrams, the input script for the Zeo++ calculations, and the integrated Python notebook (.ipynb) that was used to read, analyze and plot the semiconducting data (.xlsx). This data has been made available to the scientific community in the interest of open-source and accessible data. The authors request that you please cite the associated paper and Zenodo dataset if used.</p> <h3>Abstract</h3> <p>Functionalizing graphene with exact pore size, specific functional groups, and precision doping poses many significant challenges. Current methods lack precision and produce random pore sizes, site of attachments and amounts of dopant leading to compromised structural integrity and affecting graphene’s applications. In this work, we report a strategy for the synthesis of functionalized graphitic materials with modifiable nanometer sized pores via a Pictet-Spengler polymerization reaction. This one-pot, four step synthesis uses concepts based on Covalent Organic Frameworks (COFs) synthesis to produce crystalline two-dimensional materials that were confirmed by pXRD, TEM measurements and DFT studies. These new materials are structurally analogous to doped graphene and graphene oxide (GO) but unlike GO maintain their semi-conductive properties when fully functionalized.</p>
Operando evidence on the chirality-enhanced oxygen evolution reaction in intrinsically chiral electrocatalysts
<p><span>Additional raw data files for manuscript </span>"Operando evidence on the chirality-enhanced oxygen evolution reaction in intrinsically chiral electrocatalysts"</p> <p>Felipe A. García-Pineda, a Jiahao Yu,a Camilo A. Mesa,b Sergi Plana-Ruiz,c Daniel Ruano,c<br>Yunchang Liang,d Magalí Lingenfelder,d;e Sixto Giménez,b and J. R. Galan-Mascaros, a; f</p> <p>Abstract:<br>Electrolytic hydrogen is identified as a crucial component in the desired decarbonisation of the chemical<br>industry, utilizing renewable energy to split water into hydrogen and oxygen. Water electrolysis<br>still requires important scientific advances to improve its performance and lower its costs. One of the<br>bottlenecks in this direction relates to the sluggish anodic oxygen evolution reaction (OER). Producing<br>anodes with competitive performance remains challenging due to the high energy loses and the<br>harsh working conditions typically imposed by this complex oxidation process. Recent advancements<br>point to spin polarization as an opportunity to enhance the kinetics of this spin-restricted reaction,<br>yielding the paramagnetic O2 molecule. One powerful strategy deals with the generation of chiral<br>catalytic surfaces, typically by surface functionalisation with chiral organic molecules, to promote<br>chiral-induced spin selectivity (CISS) effect during electron transfer. However, the relationship between<br>chirality and enhanced electrocatalysis has been established only from indirect experimental<br>evidences. In this work, we have exploited operando electrochemical and spectroscopic tools to confirm<br>the direct relationship between the faster OER kinetics and the optical activity of enantiopure<br>Fe-Ni metal oxides when compared with their achiral catalysts in alkaline conditions. Our results<br>show the participation of chiral species as reactive intermediates during the electrocatalytic reaction,<br>supporting the appearance of a mechanistic CISS enhancement. Furthermore, these intrinsically chiral<br>transition-metal oxides maintain their enhanced activity in full cell electrolyser architectures at<br>industrially relevant current densities.</p> <p>of Science and Technology (BIST), Av. Paisos Catalans 16, Tarragona, 43007, Spain<br>E-mail: fgarces@iciq.es; jrgalan@iciq.es<br>b Institute of Advanced Materials (INAM), Castelló, Spain, Universitat Jaume I, Av. de<br>Vicente Sos Baynat, Castelló 12006, Spain<br>c SRCIT-Universitat Rovira i Virgili, Avinguda Pa¨õsos Catalans 26, Tarragona, 43007,<br>Spain<br>d Max Planck-EPFL Laboratory for Molecular Nanoscience and Technology, École Polytechnique<br>Fédérale de Lausanne (EPFL), Lausanne, 1015, Switzerland<br>e Helvetia Institute for Science and Innovation, Wollerau, 8832, Switzerland<br>f ICREA, Passeig Lluis Companys, 23, Barcelona, 08010, Spain<br><br></p>
Understanding the Nitrogen Reduction Reaction Mechanism on CuFeO2 Photocathodes
<p>This is a data set for the corresponding research article. It provides the necessary input files and optimized geometries to reproduce or extend this data set. The folders are uploaded on GitLab (project ID: 62597469). There are two versions one is for windows users (.zip) and the other for Linux users (*.tar.gz). Information on how to navigate through the folder structure is described in the README.md file in the dataset folder.</p> <p>The work was funded by the DFG through the priority program SPP-2370 (project id 502202153) and project 501805371, and through the collaborative research center SFB-1316 (project 327886311). </p> <p>Further questions or remarks can be sent to this dataset's creator (julian.bessner@uni-ulm.de).</p>
Chemical reaction between ferropericlase (Mg,Fe)O and water under high pressure-temperature conditions of the deep lower mantle
<p>The XRD datasets and the multigrain dataset for the article "Chemical reaction between ferropericlase (Mg,Fe)O and water under high pressure-temperature conditions of the deep lower mantle" by Yang et al.</p>
Metadata of "Solvent-free Reactions for the Synthesis of Indolenine-based Squaraines and Croconaines: Comparison of Thermal Heating, Mechanochemical Milling, and IR Irradiation"
<p>Metadata of "Solvent-free Reactions for the Synthesis of Indolenine-based Squaraines and Croconaines: Comparison of Thermal Heating, Mechanochemical Milling, and IR Irradiation"</p>
Impact of synthesis routes of metal-oxide photoanodes on the oxygen evolution reaction kinetics
<p>Reducir las emisiones de CO2 es fundamental en la lucha contra el cambio climático y para ello, el uso y almacenamiento de energías renovables juega un papel importante. La fotosíntesis artificial, inspirados en la fotosíntesis natural, ha surgido como una de las soluciones más prometedoras para lograr este propósito. Tal y como lo hace una planta, esta tecnología apunta a almacenar energías alternativas, como la solar, eólica, geotérmica, etc., en forma de combustibles o enlaces químicos, como el hidrógeno verde, a través de la electrólisis de agua. Este proceso consiste en pasar una corriente eléctrica, proveniente de energías renovables, desde el cátodo hasta el ánodo a través del agua. Para que este proceso sea económicamente viable, es necesario que el cátodo, donde se produce el hidrógeno verde, y el ánodo, donde se produce oxígeno, estén fabricados de catalizadores económicos, abundantes y eficientes. Dentro de este grupo de catalizadores, aquellos basados en metales de transición tienen a ser los más estudiados por su abundancia y estabilidad. Sin embargo, las reacciones de evolución de hidrógeno y oxígeno presentan una cinética lenta, de manera que entender los mecanismos de reacción de dichos catalizadores es crucial para aumentar su eficiencia. En esta charla presentaré un resumen de las acciones que Colombia esta tomado frente al cambio climático, así como los avances más recientes en la producción de hidrógeno verde. Posteriormente, enfocaré la charla en los avances en investigación que he desarrollado en conjunto con mis colaboradores. En particular, explicaré los avances en el diseño e implementación de un sistema automatizado de ‘spray coating’ para producir materiales nanoestructurados de manera económica. Así mismo, explicaré con dos ejemplos los avances para producir nanomateriales y elucidar sus mecanismos de reacción para producir hidrógeno verde en un cátodo de Cu2S y oxígeno en un ánodo de α-Fe2O3.</p>
Hydrogen-bonded xanthones as potential UV absorbers. The synthesis of xanthones from bio-renewable cardanol utilizing a ceric ammonium sulfate (CAS) mediated oxidation reaction
<p>The synthesis of hydrogen-bonded xanthones using the bio-renewable phenol, cardanol is described. Cardanol was initially converted into hydroxy-benzophenones. These benzophenones were converted into xanthones utilizing an oxidative ceric ammonium sulfate (CAS) mediated reaction. Subsequent ruthenium-mediated late-stage oxidation of the xanthones provided hydrogen-bonded xanthones, which displayed good UVA and UVB absorbing properties.</p>
Pre-parsed reaction rule files from RetroRules (rr02-rp3-hs)
<p>RetroRules (https://retrorules.org/) is a database of reaction rules for metabolic pathway discovery and metabolic engineering. Reaction rules are generic descriptions of reactions to be used in retrosynthesis workflows in order to enumerate possible biosynthetic routes connecting target molecules to precursors. The use of such rules is becoming more and more important in the context of synthetic biology applied to de novo pathway discovery and in systems biology to discover underground metabolism due to enzyme promiscuity.</p> <p>Pre-parsed reaction rule files are ready-to-use files that provide all the non-stereo reaction rules for diameter 2 to 16. The present dataset have the following specifications:</p> <ul> <li>release: rr02</li> <li>diameters: 2 to 16</li> <li>Hs handling: explicit</li> <li>Compatibility: RetroPath RL ready</li> </ul> <p>How to cite: Duigou T, du Lac M, Carbonell P, Faulon JL. RetroRules: a database of reaction rules for engineering biology. <em>Nucleic Acids Research</em>, 2019. | doi: <a href="https://doi.org/10.1093/nar/gky940">10.1093/nar/gky940</a> | PMID: <a href="https://www.ncbi.nlm.nih.gov/pubmed/30321422">30321422</a></p> <p> </p>
Laser-equipped gas reaction chamber for probing environmentally sensitive materials at near atomic scale
<p>Five atom probe datasets as featured in the PLOSone journal concerning the methodology of laser-assisted thermochemical gas treatments of atom probe needles, two comparing the deuterium charged and uncharged states of a steel and comparing various early states of direct hydrogen reduction of FeO.</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.