UK Catalysis Hub Data Objects

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Repository (78)
1207 data objects found

Data objects
Name: Extended Data Fig. 8 Substrate scopes for BACED and pySOOF. Date: 2020-09-23 00:00:00 UTC
Description: Extended Data Fig. 8 Substrate scopes for BACED and pySOOF.
DOI: Location: https://www.nature.com/articles/s41586-020-2733-7/figures/11
Article: Light-driven post-translational installation of reactive protein side chains
Name: Extended Data Fig. 9 Upscaling of the protein modification with pySOOF and 19F NMR analysis. Date: 2020-09-23 00:00:00 UTC
Description: Extended Data Fig. 9 Upscaling of the protein modification with pySOOF and 19F NMR analysis.
DOI: Location: https://www.nature.com/articles/s41586-020-2733-7/figures/12
Article: Light-driven post-translational installation of reactive protein side chains
Name: Free energy for drug-protein binding from human-guided atomistic simulations in virtual reality - Supplementary Files Date: 2022-06-18 00:00:00 UTC
Description: iMD-VR trajectories, narupa inputs, system parameters, and umbrella sampling data. Information a...
DOI: 10.5281/zenodo.6659616.svg Location: https://zenodo.org/records/6659616
Article: Free energy along drug-protein binding pathways interactively sampled in virtual reality
Name: GC Raw Data from Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach Date: 2022-01-01 00:00:00 UTC
Description: Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocrac...
DOI: 10.6084/m9.figshare.19330498 Location: https://rs.figshare.com/articles/journal_contribution/GC_Raw_Data_from_Transition_metal_chalcogenide_bifunctional_catalysts_for_chemical_recycling_by_plastic_hydrocracking_a_single-source_precursor_approach/19330498
Article: Transition metal chalcogenide bifunctional catalysts for chemical recycling by plastic hydrocracking: a single-source precursor approach
Name: GT-Predict Date: 2018-11-12 00:00:00 UTC
Description: We utilized informatics and machine learning to build predictive software for enzyme functional ...
DOI: 10.5287/bodleian:zg5195kae Location: https://ora.ox.ac.uk/objects/uuid:1b174bc0-4058-4057-8db4-59872c2b6d99
Article: Functional and informatics analysis enables glycosyltransferase activity prediction
Name: Glycerol carboxylation over biochar - Data.xlsx Date: 2020-08-17 00:00:00 UTC
Description: Related Article: Collett, Catherine, Mašek, Ondřej, Razali, Nurul, McGregor, James(2020) Influen...
DOI: Location: https://drive.google.com/file/d/1PFCb2zhIgaVr8MUmXf2B-qibfDHXE58N/view?usp=sharing
Article: Influence of Biochar Composition and Source Material on Catalytic Performance: The Carboxylation of Glycerol with CO2 as a Case Study
Name: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania Date: 2016-07-01 00:00:00 UTC
Description: A method has been developed for sustainable hydrogen production using sunlight and biomass. It i...
DOI: 10.17035/d.2016.0011488532 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/11488532?auxfun=&lang=en_GB
Article: H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania
Name: High - I onic - S trength W astewater T reatment via C atalytic W et O xidation over MnCeO x C atalyst Electronic Supplementary Information (ESI) Date: 2022-06-13 00:00:00 UTC
Description: Control experiments of phenol oxidation; catalyst characterizations; carbon balance; effect of i...
DOI: Location: https://pubs.acs.org/doi/suppl/10.1021/acscatal.2c01952/suppl_file/cs2c01952_si_001.pdf
Article: High-Ionic-Strength Wastewater Treatment via Catalytic Wet Oxidation over a MnCeO<sub><i>x</i></sub> Catalyst
Name: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study - data Date: 2021-01-01 00:00:00 UTC
Description: The bulk and surface properties of early transition metal silicon carbides as well as their acti...
DOI: 10.17035/d.2021.0128671491 Location: https://research.cardiff.ac.uk/converis/portal/detail/Dataset/128671491?auxfun=&lang=en_GB
Article: How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study
Name: INS Studies of Olefin Reactivity in HZSM-5 Zeolite Catalysts Date: 2022-03-24 00:00:00 UTC
Description: This proposal looks at the reactivity of propene in a commercial ZSM-5 zeolite catalyst. It buil...
DOI: 10.5286/isis.e.101133845 Location: https://data.isis.stfc.ac.uk/doi/study/101225098
Article: Studies of propene conversion over H-ZSM-5 demonstrate the importance of propene as an intermediate in methanol-to-hydrocarbons chemistry
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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