UK Catalysis Hub Data Objects

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Repository (79)
1207 data objects found

Data objects
Name: Additional studies of propane diffusion in MFI zeolite structures. (October 2020) Date: 2020-10-01 00:00:00 UTC
Description: Methanol-to-Hydrocarbons (MTH) is an important industrial reaction. It is thought to work throug...
DOI: 10.5286/isis.e.rb2010522 Location: https://data.isis.stfc.ac.uk/doi/STUDY/111245224/
Article: The application of neutron scattering to investigate hydrocarbon conversion over zeolite catalysts.
Name: Additional data supporting the publication of: Small bite-angle phosphinophosphinine ligands enable rhodium catalysed hydroboration of carbonyls Date: 2018-01-01 00:00:00 UTC
Description: Two zip files containing NMR spectroscopy and mass spectrometry data.
DOI: 10.17861/14c23fe6-bc65-4806-ba5e-63642a6ad3e9 Location: https://pureapps2.hw.ac.uk/portal/en/datasets/additional-data-supporting-the-publication-of-small-biteangle-phosphinophosphinine-ligands-enable-rhodium-catalysed-hydroboration-of-carbonyls(14c23fe6-bc65-4806-ba5e-63642a6ad3e9).html
Article: Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls
Name: AAC.00564-19-s0001.pdf Date: 2019-09-23 00:00:00 UTC
Description: Supplementary data for Molecular Basis of Class A β-Lactamase Inhibition by Relebactam
DOI: Location: https://aac.asm.org/content/aac/suppl/2019/09/12/AAC.00564-19.DCSupplemental/AAC.00564-19-s0001.pdf
Article: Molecular Basis of Class A β-Lactamase Inhibition by Relebactam
Name: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase Date: 2021-05-14 00:00:00 UTC
Description: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl React...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/jacsau.1c00145/suppl_file/au1c00145_si_001.pdf
Article: A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase
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: 9.html Date: 2016-02-15 00:00:00 UTC
Description: Supplementary data for Stable amorphous georgeite as a precursor to a high-activity catalyst
DOI: Location: https://www.nature.com/articles/nature16935/figures/9
Article: Stable amorphous georgeite as a precursor to a high-activity catalyst
Name: 8.html Date: 2016-02-15 00:00:00 UTC
Description: Supplementary data for Stable amorphous georgeite as a precursor to a high-activity catalyst
DOI: Location: https://www.nature.com/articles/nature16935/figures/8
Article: Stable amorphous georgeite as a precursor to a high-activity catalyst
Name: 7.html Date: 2016-02-15 00:00:00 UTC
Description: Supplementary data for Stable amorphous georgeite as a precursor to a high-activity catalyst
DOI: Location: https://www.nature.com/articles/nature16935/figures/7
Article: Stable amorphous georgeite as a precursor to a high-activity catalyst
Name: 6SUT Crystal structure of phosphothreonine MCR-2 Date: 2020-06-09 00:00:00 UTC
Description: Related Article: Resistance to the “Last Resort” Antibiotic Colistin: A Single-Zinc Mechanism fo...
DOI: 10.2210/pdb6sut/pdb Location: https://www.wwpdb.org/pdb?id=pdb_00006sut, https://www.rcsb.org/structure/6sut, http://www.ebi.ac.uk/pdbe-srv/view/entry/6sut/summary
Article: Resistance to the “last resort” antibiotic colistin: a single-zinc mechanism for phosphointermediate formation in MCR enzymes
Name: 6SLE Date: 2020-06-24 00:00:00 UTC
Description: Structure of Reductive Aminase from Neosartorya fumigata in complex with NADP+
DOI: 10.2210/pdb6sle/pdb Location: https://www.rcsb.org/structure/6sle
Article: Asymmetric synthesis of primary amines catalyzed by thermotolerant fungal reductive aminases
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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 79
Average: 15.28
Maximum: 353
Minimum: 1
Groups Data objects
1-5 58
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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