UK Catalysis Hub Data Objects

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Repository (78)
56 data objects found

Data objects
Name: Cover Profile: Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry Date: 2016-03-02 00:00:00 UTC
Description: Invited for this month′s cover is the group of Dr. Robert Raja at the University of Southampton,...
DOI: 10.1002/cssc.201600246 Location: https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cssc.201600246
Article: Design of Highly Selective Platinum Nanoparticle Catalysts for the Aerobic Oxidation of KA-Oil using Continuous-Flow Chemistry
Name: Enlighten2 Python package Date: 2020-10-15 00:00:00 UTC
Description: The source code for the Enlighten2 Python package and the Dockerfile used to create the Docker i...
DOI: Location: https://github.com/vanderkamp/enlighten2
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: Enlighten2 source code Date: 2020-10-15 00:00:00 UTC
Description: The code for the plugin is available as a separate GitHub repository
DOI: Location: https://github.com/vanderkamp/enlighten2-pymol
Article: Enlighten2: molecular dynamics simulations of protein–ligand systems made accessible
Name: SD2I Date: 2023-05-15 00:00:00 UTC
Description: The Single Digit to Image (SD2I) tensorflow-based image reconstruction tool.
DOI: Location: https://github.com/robindong3/SD2I
Article: A scalable neural network architecture for self-supervised tomographic image reconstruction
Name: SI for: Borylated N‐Heterocyclic Carbenes: Rearrangement and Chemical Trapping Date: 2018-12-11 00:00:00 UTC
Description: Related Article: Kristinsdóttir, Lilja, Vasko, Petra, Niu, Haoyu, Kolychev, Eugene L., Campos, J...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201804808&file=chem201804808-sup-0001-misc_information.pdf
Article: Borylated N‐Heterocyclic Carbenes: Rearrangement and Chemical Trapping
Name: SI for: H 2 ‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO 2 Date: 2019-12-03 00:00:00 UTC
Description: Related Article: Gomez, Laura Quintana, Shehab, Amal K., Al‐Shathr, Ali, Ingram, William, Konsta...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcssc.201902340&file=cssc201902340-sup-0001-misc_information.pdf
Article: H2‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO2
Name: SI for: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis Date: 2020-02-10 00:00:00 UTC
Description: Related Article: Freeman, Emma, Kumar, Santosh, Thomas, Sophie R., Pickering, Hayley, Fermin, Da...
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fcelc.201902005&file=celc201902005-sup-0001-misc_information.pdf
Article: PrFeO 3 Photocathodes Prepared Through Spray Pyrolysis
Name: Supporting InformationReversible CH Activation, Facile CB/BH Metathesis andApparent Hydroboration Catalysis by a Dimethylxanthene-BasedFrustrated Lewis Pair Date: 2018-05-22 00:00:00 UTC
Description: Supplementary
DOI: Location: https://chemistry-europe.onlinelibrary.wiley.com/action/downloadSupplement?doi=10.1002%2Fchem.201801871&file=chem201801871-sup-0001-misc_information.pdf
Article: Reversible C−H Activation, Facile C−B/B−H Metathesis and Apparent Hydroboration Catalysis by a Dimethylxanthene-Based Frustrated Lewis Pair
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: UK Catalysis Hub App (UKCHApp) Source Code Date: 2021-12-15 00:00:00 UTC
Description: Source code for Designing a data infrastructure for catalysis science aligned to FAIRdata principles
DOI: Location: https://github.com/UK-Catalysis-Hub/ukcathubapp
Article: Designing a data infrastructure for catalysis science aligned to FAIR data principles
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 344
https://pubs.acs.org 146
https://www.rsc.org 130
https://static-content.springer.com 85
https://ars.els-cdn.com 60
https://chemistry-europe.onlinelibrary.wiley.com 50
https://onlinelibrary.wiley.com 33
https://www.rcsb.org 28
https://www.nature.com 22
https://data.isis.stfc.ac.uk 19
Summary
Repositories 78
Average: 14.21
Maximum: 344
Minimum: 1
Groups Data objects
1-5 57
6-10 7
11-15 4
16-20 1
more than 20 9
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Data object groups
Group Data objects
Compressed file [zip] 11
Crystal structure [cif/pdbe] 438
Dataset 101
Document [pdf/html/docx/ppt] 518
Media File (image/video) 26
Protein Sequence 1
Software [app/api/service/source code] 7
xyz 6
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Recent data objects
Name Description Publised
41598_2023_43523_MOESM1_ESM.pdf Free energy along drug-protein binding pathways interactively sampled in... 2023
adma202302825-sup-0001-SuppMat.pdf Supporting Information for Adv. Mater., DOI 10.1002/adma.202302825... 2023
ja3c05863_si_001.pdf Supporting information: Chemical Recycling of Commercial Poly(L-lactic a... 2023
emi16488-sup-0001-Supinfo.docx Copper bioreduction and nanoparticle synthesis by an enrichment culture ... 2023
41467_2023_40284_MOESM2_ESM.pdf Peer Review File Understanding Catalytic Synergy in Dinuclear Polymeriza... 2023
41467_2023_40284_MOESM1_ESM.pdf Supl. Information Understanding Catalytic Synergy in Dinuclear Polymeriz... 2023
1-s2.0-S0021951723001677-mmc1.pdf Supporting Information Efficient low-loaded ternary Pd-In2O3-Al2O3 catal... 2023
adfm202302102-sup-0001-SuppMat.pdf Supporting Information for Adv. Funct. Mater., DOI: 10.1002/adfm.2023021... 2023
zaac202300016-sup-0001-misc_information.pdf Supporting Information Torsional Control of Frustrated Lewis Pair Behavi... 2023
jp3c00952_si_001.pdf Electronic Supl. Information (ESI) Study and modeling of the kinetics of... 2023

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