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Dataset results
266 results for “Catalyst”
Heterometallic palladium–iron metal–organic framework as a highly active catalyst for cross-coupling reactions
<p>Relevant data for the publication with DOI: <a title="Link to landing page via DOI" href="https://doi.org/10.1039/D2SC05192C">10.1039/D2SC05192C</a></p>
Data of the Publication: Master of Chaos and Order:Opposite Microstructures of PCL-co-PGA-co-PLA Accesible by a Single catalyst
<p>NMR, DSC and MALDI-ToF-MS data of the copolymers discussed in the publication "Master of Chaos and Order: Opposite Microstructures of PCL-co-PGA-co-PLA Accessible by a Single Catalyst".</p>
Data set for the journal article "Surface Intermediates in In-Based ZrO2-Supported Catalysts for Hydrogenation of CO2 to Methanol"
<p>Raw data for the article " Surface Intermediates in In-Based ZrO<sub>2</sub>-Supported Catalysts for Hydrogenation of CO<sub>2</sub> to Methanol", already published in the Journal of Physical Chemistry C, DOI: <a href="https://doi.org/10.1021/acs.jpcc.1c08814">https://doi.org/10.1021/acs.jpcc.1c08814</a></p> <p>Folder names describe the type of data content. All details concerning conditions and equipment for measurements can be found in the main text and supporting information of the article.</p>
Dataset for the paper: "Using molecular oxygen and Fe-N/C heterogeneous catalysts to achieve Mukaiyama epoxidations via in situ produced organic peroxy acids and acylperoxy radicals"
<p>The data in this spreadsheet was used to produce the figures in the paper </p> <p>Authors: M. Gong, Y. Guo, D. Malko, G. J.P. Britovsek, J. Rubio-Garcia, J. Dawson and A. Kucernak</p> <p>Title: Using molecular oxygen and Fe-N/C heterogeneous catalysts to achieve Mukaiyama epoxidations via in situ produced organic peroxy acids and acylperoxy radicals</p> <p>Journal: Catalysis Science & Technology</p> <p>DOI: 10.1039/D2CY00356B</p> <p>Please cite the above reference if you wish to use this data </p> <p> </p> <p>DOI of data: 10.5281/zenodo.6384017</p>
Intramolecular Hydroxyl Nucleophilic Attack Pathway by a Polymeric Water Oxidation Catalyst with Single Cobalt Sites
<p>Exploring efficient water oxidation catalysts (WOCs) is the primary challenge in converting renewable energy into fuels. Here we report a molecularly well-defined heterogeneous WOC with Aza-fused-π-conjugated-microporous-polymer (Aza-CMP) coordinated single cobalt sites (Aza-CMP-Co). The single cobalt sites in Aza-CMP-Co exhibited superior activity under alkaline and near-neutral conditions. Moreover, the molecular nature of the isolated catalytic sites makes Aza-CMP-Co a reliable model for studying the heterogeneous water oxidation mechanism. By combining the experimental and theoretical results, a pH-dependent nucleophilic attack pathway for O-O bond formation was proposed. Under alkaline conditions, the intramolecular hydroxyl nucleophilic attack (IHNA) process that the adjacent -OH group nucleophilically attacks Co<sup>4+</sup>=O was identified as the rate-determining step. The process leads to lower activation energy and boosted kinetics than that of the intermolecular water nucleophilic attack pathway. This study provides significant insights into the crucial function of electrolyte pH in water oxidation catalysis and enhancement of the water oxidation activity by regulating the IHNA pathway.</p>
DFT/MKM dataset for Rh-WOx pair site catalyst
<p>All data required to build the microkinetic model of the Rh-WOx pair site catalyst for hydroformylation and hydrogenation reactions are provided here. Please refer to the READ_ME.pdf for a detailed description of the folder structure and provided files.</p>
Supporting materials for the article "Neutral atomic hydrogen as an efficient catalyst for interstellar formation of adenine and guanine"
<p>The data files contain the computed atomic coordinate data of all optimized molecular structures in the standard XYZ chemical file format. </p> <p>The PDF file contains 1) the potential diagrams of reaction paths for producing adenine and guanine from H-catalyzed reactions between h-pyrimidine-2-one and (cyanamide or carbodiimide), and 2) the IR and electronic adsorption spectra of intermediates, as well as 3) a detailed description to the aformentioned data files.</p>
Supporting materials for the article "Neutral atomic hydrogen as an efficient catalyst for interstellar formation of adenine and guanine"
<p>The data files contain the computed atomic coordinate data of all optimized molecular structures in the standard XYZ chemical file format. </p> <p>The PDF file contains 1) the potential diagrams of reaction paths for producing adenine and guanine from H-catalyzed reactions between h-pyrimidine-2-one and (cyanamide or carbodiimide), and 2) the IR and electronic adsorption spectra of intermediates, as well as 3) a detailed description to the aformentioned data files.</p>
Raw NMR for Selective and Quantitative Functionalization of Unprotected -Amino Acids Using a Recyclable Homogeneous Catalyst
<p>Raw NMR data for the article "Selective and Quantitative Functionalization of Unprotected -Amino Acids Using a Recyclable Homogeneous Catalyst"</p>
Original data for publication: Transient Inactivation Effect on Au/TiO2 Catalyst: Insight by in-situ DRIFT and UV–vis Spectroscopy
<p>Original data for publication: Transient Inactivation Effect on Au/TiO2 Catalyst: Insight by in-situ DRIFT and UV–vis Spectroscopy</p> <p>The original data shown in the Figures of the main manuscript and suporting information are given.</p>
Deducing Subnanometer Cluster Size and Shape Distributions of Heterogeneous Supported Catalysts
<p>Dataset for "Deducing Subnanometer Cluster Size and Shape Distributions of Heterogeneous Supported Catalysts". </p>
Data from the paper: D. Malko and A. Kucernak, "Kinetic isotope effect in the oxygen reduction reaction (ORR) over Fe-N/C catalysts under acidic and alkaline conditions", Electrochemistry Communications,2017, https://doi.org/10.1016/j.elecom.2017.09.004
<p>Data used to generate the figures in the paper: D. Malko and A. Kucernak, "Kinetic isotope effect in the oxygen reduction reaction (ORR) over Fe-N/C catalysts under acidic and alkaline conditions", Electrochemistry Communications,2017, https://doi.org/10.1016/j.elecom.2017.09.004</p> <p> </p>
Probing homogenous catalysts and pre-catalysts in solution by exchange mediated Overhauser dynamic nuclear polarization NMR
<p>This is the raw data set for the publication </p> <p><span>Probing homogenous catalysts and pre-catalysts in solution by exchange mediated Overhauser dynamic nuclear polarization NMR </span><span>Authors: Yu Rao, Federico De Biasi, Ran Wei, Christophe Copéret and Lyndon Emsley </span><span>DOI for the publication:</span><span> doi.org/10.1021/jacs.4c01570 </span></p>
Data from: Pelagic zone is an evolutionary catalyst, but an ecological dead end, for North American minnows
<p>Colonization of a novel geographic area is a classic source of ecological opportunity. Likewise, complex microhabitats are thought to promote biodiversity. We sought to reconcile these two predictions when they are naturally opposing outcomes. We assess the macroevolutionary consequences of an ancestral shift from benthic to pelagic microhabitat zones on rates of speciation and phenotypic evolution in North American minnows. Pelagic species have more similar phenotypes and slower rates of phenotypic evolution, but faster speciation rates, than benthic species. These are likely two independent, opposing responses to specialization along the benthic-pelagic axis, as rates of phenotypic evolution and speciation are not directly correlated. The pelagic zone is more structurally homogenous and offers less ecological opportunity, acting as an ecological dead end for minnows. In contrast, pelagic species may be more mobile and prone to dispersal and subsequent geographic isolation and, consequently, experience elevated instances of allopatric speciation. Microhabitat shifts can have decoupled effects on different dimensions of biodiversity, highlighting the need for nuance when interpreting the macroevolutionary consequences of ecological opportunity.</p>
From poison to promotor –unique Rh4 structural motifs in supported rhodium sulphides as hydroformylation catalysts
Open the record for dataset details and reuse information.
Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis
<p>Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis</p> <p>Email: cristina.trujillodelvalle@manchester.ac.uk</p> <p> </p> <p>Please find the supporting information for the "Computational Strategies for Designing Bidentate Hypervalent Iodine Catalysts in Halogen Bond-Mediated Organocatalysis" paper here.</p>
Tailoring the Surface Enrichment of a Pt Catalyst in Ionic Liquid Solutions by Choice of the Solvent, DOI: 10.1002/admi.202301085
<p>The so-called buoy-effect, that is, the targeted surface enrichment of a Pt catalyst dissolved in ionic liquids (ILs), is achieved by attaching perfluorinated alkyl chains to the ligand system, which drags the metal complex toward the interface. Using angle-resolved X-ray photoelectron spectroscopy, it is demonstrated how this surface enrichment can be tailored by variation of the solvent IL. In [C<sub>n</sub>C<sub>1</sub>Im][PF<sub>6</sub>] ILs (<em>n</em> = 2, 4, 8), the surface is fully saturated with the complex at 10%<sub>mol</sub> bulk content, while in [C<sub>4</sub>C<sub>1</sub>Im][Tf<sub>2</sub>N] only at 20%<sub>mol</sub> saturation is observed. At low catalyst concentrations of 1%<sub>mol</sub>, where saturation is not yet reached, the enrichment increases with decreasing length of the IL alkyl chain. As a general rule, the degree of surface enrichment decreases with the decrease in surface tension of the solvent IL, that is, in the order [C<sub>2</sub>C<sub>1</sub>Im][PF<sub>6</sub>] > [C<sub>4</sub>C<sub>1</sub>Im][PF<sub>6</sub>] > [C<sub>8</sub>C<sub>1</sub>Im][PF<sub>6</sub>] > [C<sub>4</sub>C<sub>1</sub>Im][Tf<sub>2</sub>N]. In ILs with very low surface tension, enrichment is even suppressed. These results reveal the surface tension of the solvent IL as rational parameter for tailoring the interfacial structure of IL-based catalyst systems, such as supported ionic liquid phase (SILP) catalysis, where the nature of the IL/gas interface is expected to strongly influence the performance of the process.</p>
Raw data: The Chemical and Electronic Properties of Stability-Enhanced, Mixed Ir-TiOx Oxygen Evolution Reaction Catalysts
<p>Raw data for the publication:</p> <h4><em>The Chemical and Electronic Properties of Stability-Enhanced, Mixed Ir-TiO<sub>x</sub> Oxygen Evolution Reaction Catalysts</em></h4> <div>Marianne van der Merwe, Raul Garcia-Diez, Leopold Lahn, R. Enggar Wibowo, Johannes Frisch, Mihaela Gorgoi, Wanli Yang, Shigenori Ueda, Regan G. Wilks, Olga Kasian, and Marcus Bär</div> <div>ACS Catalysis <strong>2023</strong> <em>13</em> (23), 15427-15438</div> <p>DOI: 10.1021/acscatal.3c02948</p> <p><strong>Copyright © 2023 The Authors. Published by American Chemical Society</strong>. This publication is licensed under <a href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a>.</p>
Defective Zirconia Promotes Monometallic Iron Catalysts for Higher Alcohol Synthesis
<p>Datasets supporting the publication 'Defective Zirconia Promotes Monometallic Iron Catalysts for Higher Alcohol Synthesis'</p>
Raw data: Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by Operando Ir L3-edge X-ray Absorption Spectroscopy
<p>Raw data for the manuscript titled:</p> <p><strong>Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by <em>Operando </em>Ir L3-edge X-ray Absorption Spectroscopy</strong></p> <p> </p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.