UK Catalysis Hub Data Objects

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88 data objects found

Data objects
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: 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: 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: 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: Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehyes Date: 2017-01-01 00:00:00 UTC
Description: Data files relating to the paper ' Enzyme Activity by Design: An Artificial Rhodium Hydroformyla...
DOI: 10.17630/03fa38f2-b858-4fff-a478-83e61672955c Location: https://risweb.st-andrews.ac.uk:443/portal/en/datasets/enzyme-activity-by-design-an-artificial-rhodium-hydroformylase-for-linear-aldehyes(03fa38f2-b858-4fff-a478-83e61672955c).html
Article: Enzyme Activity by Design: An Artificial Rhodium Hydroformylase for Linear Aldehydes
Name: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 seen by Synchrotron Infrared Microspectroscopy (dataset) Date: 2019-01-01 00:00:00 UTC
Description: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 seen by ...
DOI: 10.17630/d0e5a924-8850-4fe4-a56f-b00c7472f25a Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/elementary-steps-in-the-formation-of-hydrocarbons-from-surface-methoxy-groups-in-hzsm5-seen-by-synchrotron-infrared-microspectroscopy-dataset(d0e5a924-8850-4fe4-a56f-b00c7472f25a).html
Article: Elementary Steps in the Formation of Hydrocarbons from Surface Methoxy Groups in HZSM-5 Seen by Synchrotron Infrared Microspectroscopy
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: Effects of Crystal Size on Methanol to Hydrocarbon Conversion over Single Crystals of ZSM-5 Studied by Synchrotron Infrared Microspectroscopy (dataset) Date: 2020-01-01 00:00:00 UTC
Description: The following file types and formats are included: - Sample characterisation files (X-ray diffra...
DOI: 10.17630/306bd3c3-014b-466f-9538-b107628c847d Location: https://risweb.st-andrews.ac.uk/portal/en/datasets/effects-of-crystal-size-on-methanol-to-hydrocarbon-conversion-over-single-crystals-of-zsm5-studied-by-synchrotron-infrared-microspectroscopy-dataset(306bd3c3-014b-466f-9538-b107628c847d).html
Article: Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy
Name: Development and characterization of thermally stable supported V–W–TiO<sub>2</sub> catalysts for mobile NH<sub>3</sub>–SCR applications Date: 2017-01-01 00:00:00 UTC
Description: Vanadium based catalysts supported on a mixture of tungsten and titanium oxide (V<sub>2</sub>O<s...
DOI: 10.6084/m9.figshare.4641169.v1 Location: https://tandf.figshare.com/articles/journal_contribution/Development_and_characterization_of_thermally_stable_supported_V_W_TiO_sub_2_sub_catalysts_for_mobile_NH_sub_3_sub_SCR_applications/4641169/1
Article: Development and characterization of thermally stable supported V–W–TiO2 catalysts for mobile NH3–SCR applications
Name: Dataset for: X-ray Absorption Spectroscopy and Electrochemical Studies of Pt-Sn Electrocatalysts Date: 2022-01-01 00:00:00 UTC
Description: This dataset supports the thesis entitled 'X-ray Absorption Spectroscopy and Electrochemical Stu...
DOI: 10.5258/soton/d1762 Location: http://eprints.soton.ac.uk/id/eprint/447389
Article: Effects of heat treatment atmosphere on the structure and activity of Pt3Sn nanoparticle electrocatalysts: a characterisation case study
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 79
Average: 15.15
Maximum: 353
Minimum: 1
Groups Data objects
1-5 59
6-10 7
11-15 3
more than 20 10
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Data object groups
Group Data objects
Compressed file [zip] 14
Crystal structure [cif/pdbe] 436
Dataset 117
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
Peer Review Information for Methanol-to-Olefins Studied by UV Raman Spectroscopy as Compared to Visible Wavelength Capitalisation on Resonance Enhancement Transparent Peer Review report available (PDF)... 2024
Supplementary information for Methanol-to-Olefins Studied by UV Raman Spectroscopy as Compared to Visible WavelengthCapitalisation on Resonance Enhancement Additional information regarding absorbance bands assigned in literature... 2024
Supporting Information Active and highly durable supported catalysts for proton exchange membrane electrolysers Electronic Supl. Material (ESI) for EES Catalysis.... 2024
Supplementary Information Non-PGM Hollow Fibre-Based After-treatment for Emission Control under Real Diesel Engine Exhaust Gas Conditions Appendix A. Supl. data Word document (4MB) Multimedia component 1. ... 2024
Supporting Information Precious Metal Free Hydrogen Evolution Catalyst Design and Application Catalyst names, activity metrics, mass loadings, and other data, associa... 2024
Supporting Information: Controlled Carbon Dioxide Terpolymerizations to Deliver Toughened Yet Recyclable Thermoplastics Experimental and instrument details, polymer synthesis, characterization... 2024
Electronic Supporting Information (ESI) Structural Selectivity of Supported Pd Nanoparticles: Selective Ethanol Ammoxidation to Acetonitrile Electronic Supl. Material (ESI) for EES Catalysis.... 2024
calculation of Keq Spreadsheet detailing the calculation of Keq (XLSX)... 2024
Supporting Information Quantifying CO2 Insertion Equilibria For Low Pressure Propene Oxide and Carbon Dioxide Ring Opening Copolymerization Catalysts Characterization data of catalysts (1D and 2D NMR spectra, infrared spec... 2024
Athavan_AppliedPhysicsLetters2024 Copies of coordinate files (in xyz format) for the calculated structure Copies of coordinate files (in xyz format) for the calculated structure... 2024

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