UK Catalysis Hub Data Objects

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Repository (78)
15 data objects found

Data objects
Name: Iron Negishi mechanistic NatCat 2018 Date: 2018-12-31 00:00:00 UTC
Description: Data supporting Nature Catalysis paper
DOI: 10.5523/bris.1kp2f62x3klb02mfz2qymcmxmx Location: https://data.bris.ac.uk/data/dataset/1kp2f62x3klb02mfz2qymcmxmx/
Article: The highly surprising behaviour of diphosphine ligands in iron-catalysed Negishi cross-coupling
Name: Malta.SM.pdf Date: 2017-03-30 00:00:00 UTC
Description: Supplementary data for Identification of single-site gold catalysis in acetylene hydrochlorination
DOI: Location: https://science.sciencemag.org/content/sci/suppl/2017/03/29/355.6332.1399.DC1/Malta.SM.pdf
Article: Identification of single-site gold catalysis in acetylene hydrochlorination
Name: surfaces-02-00001-s001.pdf Date: 2019-01-03 00:00:00 UTC
Description: Supplementary data for Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Orde...
DOI: Location: https://res.mdpi.com/d_attachment/surfaces/surfaces-02-00001/article_deploy/surfaces-02-00001-s001.pdf?version=1546517275
Article: Electrochemical Behavior of Pt–Ru Catalysts Supported on Graphitized Ordered Mesoporous Carbons toward CO and Methanol Oxidation
Name: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, Er3+) Pyrochlore Nanostructures Date: 2021-01-07 00:00:00 UTC
Description: This data folder corresponds to the study of the electrochemical behavior of A2MnRuO7 (A = Dy, H...
DOI: Location: https://data.bris.ac.uk/datasets/2ziu8eflfw7zv25mc8j4h80jfl/2ziu8eflfw7zv25mc8j4h80jfl.zip
Article: Electrocatalytic Site Activity Enhancement via Orbital Overlap in A2MnRuO7 (A = Dy3+, Ho3+, and Er3+) Pyrochlore Nanostructures
Name: Structure of MbQ NMH Date: 2018-01-30 00:00:00 UTC
Description: Structure of MbQ NMH
DOI: 10.2210/pdb5ojb/pdb Location: http://www.ebi.ac.uk/pdbe-srv/view/entry/5ojb/summary
Article: A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold
Name: Evolution of dynamical networks enhances catalysis in a designer enzyme Date: 2021-06-23 00:00:00 UTC
Description: Data related to: "Evolution of dynamical networks enhances catalysis in a designer enzyme". H. A...
DOI: 10.5523/bris.l6hm9j11yil92bh9rvh27i7ge Location: https://data.bris.ac.uk/data/dataset/l6hm9j11yil92bh9rvh27i7ge
Article: Evolution of dynamical networks enhances catalysis in a designer enzyme
Name: A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins Date: 2021-11-03 00:00:00 UTC
Description: Representative MD trajectories, topologies and input files for the protein:ligand complexes pres...
DOI: 10.5523/bris.10p78zgsappbz226bzrdagabq9 Location: https://data.bris.ac.uk/data/dataset/10p78zgsappbz226bzrdagabq9
Article: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins
Name: Supplementary material from "Cation-doping strategies for tuning of zirconia acid–base properties" Date: 2022-02-12 00:00:00 UTC
Description: The role of Y-, Ca- and Ce-doping of cubic zirconia (c-ZrO<sub>2</sub>) (111) surface on its aci...
DOI: 10.6084/m9.figshare.c.5839296 Location: https://figshare.com/collections/Supplementary_material_from_Cation-doping_strategies_for_tuning_of_zirconia_acid_base_properties_/5839296
Article: Cation-doping strategies for tuning of zirconia acid–base properties
Name: Supplementary material from "Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach" Date: 2022-03-09 00:00:00 UTC
Description: Sulfided nickel, an established hydrocracking and hydrotreating catalyst for hydrocarbon refinin...
DOI: 10.6084/m9.figshare.c.5885272 Location: https://figshare.com/collections/Supplementary_material_from_Transition_metal_chalcogenide_bifunctional_catalysts_for_chemical_recycling_by_plastic_hydrocracking_a_single-source_precursor_approach_/5885272
Article: Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach
Name: 1OAF Date: 2020-12-24 00:00:00 UTC
Description: Related Article: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded...
DOI: Location: http://identifiers.org/pdbe/pdb:1OAF
Article: Rewiring the “Push-Pull” Catalytic Machinery of a Heme Enzyme Using an Expanded Genetic Code
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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