UK Catalysis Hub Data Objects

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Repository (78)
95 data objects found

Data objects
Name: supplementary (supplementary) for article Date: 2022-02-17 00:00:00 UTC
Description: Supporting information for this article is available on the WWW underhttps://doi.org/10.1002/che...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.202104198&file=chem202104198-sup-0001-misc_information.pdf
Article: Heterodinuclear Mg(II)M(II) (M=Cr, Mn, Fe, Co, Ni, Cu and Zn) Complexes for the Ring Opening Copolymerization of Carbon Dioxide/Epoxide and Anhydride/Epoxide
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: Supporting Information Insights into Substituent Effects of Benzaldehyde Derivatives in a Heterogeneous Organocatalyzed Aldol Reaction Date: 2022-07-21 00:00:00 UTC
Description: Supporting Information Insights into Substituent Effects of Benzaldehyde Derivatives in a Hetero...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcctc.202200405&file=cctc202200405-sup-0001-misc_information.pdf
Article: Insights into Substituent Effects of Benzaldehyde Derivatives in a Heterogeneous Organocatalyzed Aldol Reaction
Name: chem202300228-sup-0001-misc_information.pdf Date: 2023-05-08 00:00:00 UTC
Description: Supporting Information Matched Ligands for Small, Stable Colloidal Nanoparticles of Copper, Cupr...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.202300228&file=chem202300228-sup-0001-misc_information.pdf
Article: Matched Ligands for Small, Stable Colloidal Nanoparticles of Copper, Cuprous Oxide and Cuprous Sulfide
Name: PDB Entry - 6TAE Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6TAE Neutron structure of ferric ascorbate peroxidase
DOI: 10.2210/pdb6tae/pdb Location: https://www.wwpdb.org/pdb?id=pdb_00006TAE http://www.ebi.ac.uk/pdbe-srv/view/entry/6tae https://www.rcsb.org/structure/6TAE
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
Name: PDB Entry - 6XV4 Date: 2020-04-08 00:00:00 UTC
Description: PDB Entry - 6XV4 Neutron structure of ferric ascorbate peroxidase-ascorbate complex
DOI: 10.2210/pdb6xv4/pdb Location: https://www.wwpdb.org/pdb?id=pdb_00006XV4 http://www.ebi.ac.uk/pdbe-srv/view/entry/6xv4 https://www.rcsb.org/structure/6XV4
Article: Visualizing the protons in a metalloenzyme electron proton transfer pathway
Name: sciadv.abl8675_dataset_s1_to_s3.zip Date: 2022-04-08 00:00:00 UTC
Description: Other Supplementary Material for this manuscript includes the following: Dataset S1 to S3
DOI: Location: https://www.science.org/doi/suppl/10.1126/sciadv.abl8675/suppl_file/sciadv.abl8675_dataset_s1_to_s3.zip
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
Name: sciadv.abl8675_sm.pdf Date: 2022-04-08 00:00:00 UTC
Description: Supplementary Methods, Experimental and Characterization Data
DOI: Location: https://www.science.org/doi/suppl/10.1126/sciadv.abl8675/suppl_file/sciadv.abl8675_sm.pdf
Article: Reductive site-selective atypical <i>C</i> , <i>Z</i> -type/N2-C2 cleavage allows C-terminal protein amidation
Name: PDB Entry - 7QVH The crystal structure of HotPETase, an evolved thermostable variant of IsPETase Date: 2023-02-15 00:00:00 UTC
Description: PDB Entry - 7QVH(Status - Released) summary information: Title: The crystal structure of HotPETa...
DOI: 10.2210/pdb7qvh/pdb Location: https://www.wwpdb.org/pdb?id=pdb_00007qvh http://www.ebi.ac.uk/pdbe-srv/view/entry/7qvh https://www.rcsb.org/structure/7QVH
Article: Directed evolution of an efficient and thermostable PET depolymerase
Name: Supporting Information  Copyright Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, 2015 Biomimetic Oxidation with Fe-ZSM-5 and H 2 O 2 ? Identification of an Active, Extra-Framework Binuclear Core and an Fe IIIOOH Intermediate with Resonance- Enhanced Raman Spectroscopy Date: 2014-12-30 00:00:00 UTC
Description: miscellaneous information
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcctc.201402642&file=cctc_201402642_sm_miscellaneous_information.pdf
Article: Biomimetic Oxidation with Fe‐ZSM‐5 and H<sub>2</sub>O<sub>2</sub>? Identification of an Active, Extra‐Framework Binuclear Core and an Fe<sup>III</sup>OOH Intermediate with Resonance‐Enhanced Raman Spectroscopy
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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