UK Catalysis Hub Data Objects

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Repository (78)
27 data objects found

Data objects
Name: Ultra-dilute Au colloids Date: 2024-10-04 00:00:00 UTC
Description: Galaxy RO Crate object containing the workflow and data with the reproduction of the results pub...
DOI: 10.5281/zenodo.13840848 Location: https://zenodo.org/records/13840848
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Name: Supporting Information for Controlled Monodefluorination and Alkylation of C(sp3)-F Bonds by Lanthanide Photocatalysts: Importance of Metal-Ligand Cooperativity Date: 2022-11-08 00:00:00 UTC
Description: Supplementary data to article
DOI: Location: https://www.rsc.org/suppdata/d2/sc/d2sc04192h/d2sc04192h1.pdf
Article: Controlled monodefluorination and alkylation of C(sp<sup>3</sup>)–F bonds by lanthanide photocatalysts: importance of metal–ligand cooperativity
Name: Supporting Information for Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride versus oxide chelation Date: 2022-09-22 00:00:00 UTC
Description: Supplementary data to article
DOI: Location: https://www.rsc.org/suppdata/d2/dt/d2dt02888c/d2dt02888c5.pdf
Article: Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation
Name: Reproducing the FeS2 Example from the Demeter Tutorials Date: 2024-10-25 00:00:00 UTC
Description: These files are provided to complement the learning materials for managing RO-Crates in Galaxy. ...
DOI: 10.5281/zenodo.13987511 Location: https://zenodo.org/records/13987511
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Name: Reductive site-selective atypical C,Z-type / N2–C2 cleavage allows C-terminal protein amidation Date: 2022-04-12 00:00:00 UTC
Description: Raw data used in the publication "Reductive site-selective atypical C,Z-type / N2–C2 cleavage ...
DOI: 10.5281/zenodo.5736482.svg Location: https://zenodo.org/records/5736482
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
Name: Pt3Sn nanoparticle electrocatalysts Date: 2024-10-16 00:00:00 UTC
Description: Galaxy RO Crate object containing the workflow and data with the reproduction of the results pub...
DOI: 10.5281/zenodo.13940793 Location: https://zenodo.org/records/13940793
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Name: Pd-Al2O3 Catalyst for Ammonia Date: 2024-10-16 00:00:00 UTC
Description: Galaxy RO Crate object containing the workflow and data with the reproduction of the results pub...
DOI: 10.5281/zenodo.13941579 Location: https://zenodo.org/records/13941579
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Name: Palladium-Catalyzed CO Oxidation Date: 2024-09-26 00:00:00 UTC
Description: Galaxy RO Crate object containing the workflow and data with the reproduction of the results pub...
DOI: 10.5281/zenodo.13842852 Location: https://zenodo.org/records/13842852
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Name: Narupa 2 Protocol Date: 2022-04-25 00:00:00 UTC
Description: The programs necessary for running a standalone simulation of trypsin and benzamidine in Narupa ...
DOI: Location: https://gitlab.com/intangiblerealities/narupa-protocol
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: N2O decomposition on LaMnO3 Date: 2024-10-16 00:00:00 UTC
Description: Galaxy RO Crate object containing the workflow and data with the reproduction of the results pub...
DOI: 10.5281/zenodo.13941613 Location: https://zenodo.org/records/13941613
Article: Facilitating Reproducibility in Catalysis Research with Managed Workflows and RO‐Crates: A Galaxy Case Study
Data objects per year
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Data objects accumulated vs. per year
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Data objects per repository
Repository Data objects
https://www.ccdc.cam.ac.uk 353
https://pubs.acs.org 173
https://www.rsc.org 153
https://static-content.springer.com 92
https://ars.els-cdn.com 64
https://chemistry-europe.onlinelibrary.wiley.com 55
https://onlinelibrary.wiley.com 36
https://data.isis.stfc.ac.uk 33
https://www.rcsb.org 27
https://www.nature.com 22
Summary
Repositories 78
Average: 15.47
Maximum: 353
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 14
Crystal structure [cif/pdbe] 436
Dataset 127
Document [pdf/html/docx/ppt] 589
Media File (image/video) 28
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
LaMnO3 catalytic behaviour Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Catalysts in gasoline particulate filters Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Reproducing the FeS2 Example from the Demeter Tutorials These files are provided to complement the learning materials for managi... 2024
Pt3Sn nanoparticle electrocatalysts Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Pd-Al2O3 Catalyst for Ammonia Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
N2O decomposition on LaMnO3 Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
MoOx/Al2O3 Cyclic Operation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Ultra-dilute Au colloids Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Diphosphine ligands in iron Galaxy RO Crate object containing the workflow and data with the reprodu... 2024
Palladium-Catalyzed CO Oxidation Galaxy RO Crate object containing the workflow and data with the reprodu... 2024

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