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31 results for “epoxide”
Dataset of "Fast carbon dioxide–epoxide cycloaddition catalyzed by metal and metal-free ionic liquids for designing non-isocyanate polyurethanes"
<p>The recycling of industrially produced greenhouse gases, such as CO2, into high-value-added chemicals is one of the most relevant strategies for reaching climate targets. A two-step strategy for designing non-isocyanate polyurethanes (NIPUs) from renewable carbon dioxide (CO2) using environmentally friendly conditions and catalysts is investigated. The first reaction step efficiently converts a mono-epoxidized monomer (phenyl glycidyl ether) into cyclic carbonates under mild reaction conditions and supercritical CO2, using imidazolium ionic liquids (ILs) as catalysts into cyclic carbonates. The DFT calculations suggested a comprehensive mechanistic pathway for the IL-catalyzed CO2-epoxy reaction showing a rate-determining step of the initial epoxide ring opening and the direct participation of IL-anions.</p>
Diffraction images used to solve the structures published in the article "An Epoxide Intermediate in Glycosidase Catalysis"
<p>Raw diffraction images used for generating the structures published in the article "An Epoxide Intermediate in Glycosidase Catalysis" (available <a href="https://doi.org/10.1021/acscentsci.0c00111">here</a>). Full single-crystal datasets, including images that were not used in the final analyses, are published. The software used for the processing of each dataset is listed in their respective PDB entries.</p> <p> </p> <p>If you find this useful, please contact me at <a href="mailto:lukasz.sobala@hirszfeld.pl">lukasz.sobala@hirszfeld.pl</a>, I am just interested in how these data are used!</p>
Supplementary Information for "G-type Halohydrin Dehalogenases Catalyze Ring Opening Reactions of Cyclic Epoxides with Diverse Anionic Nucleophiles"
<p>This is the external Supplementary Information for our publication "G-type Halohydrin Dehalogenases Catalyze Ring Opening Reactions of Cyclic Epoxides with Diverse Anionic Nucleophiles".</p> <p>The .zip files contain the raw NMR data for all compounds as well as the protein structural data described in the manuscript.</p>
Raw data for Microwave-assisted Condensation Approach for Vanadium Silicate Microspheres and Their Catalytic Activity in Cyclohexene Epoxidation and Ethyl Lactate Oxidation
<p><strong>Specification of affiliations:</strong></p> <ul> <li>David Skoda - Centre of Polymer Systems</li> <li>Kamila Kuzelova - Centre of Polymer Systems</li> <li>Rajendran Blessy Pricilla - Centre of Polymer Systems</li> <li>Barbora Hanulikova - Centre of Polymer Systems</li> <li>Michal Urbanek - Centre of Polymer Systems</li> <li>Ales Styskalik - Department of Chemistry, Faculty of Science</li> <li>Tomas Pokorny - Department of Chemistry, Faculty of Science</li> <li>Iaroslav Doroshenko - Department of Chemistry, Faculty of Science</li> <li>Lucie Simonikova - Department of Chemistry, Faculty of Science</li> <li>Ivo Kuritka - Centre of Polymer Systems</li> </ul> <p> </p> <p>Raw data for the research paper. Information on the data collection are described in the manuscript.</p>
Data from: Direct propylene epoxidation via water activation over Pd-Pt electrocatalysts
<p>Direct electrochemical propylene epoxidation using water oxidation intermediates presents a sustainable alternative to existing routes that involve hazardous chlorine or peroxide reagents. Here we report an oxidized palladium-platinum alloy catalyst (PdPtO<sub>x</sub>/C), which reaches a Faradaic efficiency of 66±5% toward propylene epoxidation at 50 mA/cm<sup>2</sup> at ambient temperature and pressure. Embedding platinum into the palladium oxide crystal structure stabilized oxidized platinum species, resulting in improved catalyst performance. The reaction kinetics suggest that epoxidation on PdPtO<sub>x</sub>/C proceeds through electrophilic attack by metal-bound peroxo (OO*) intermediates. This work demonstrates an effective strategy for selective electrochemical oxygen-atom transfer from water, without mediators, for diverse oxygenation reactions.</p>
Raw data for the article "Asymmetric Cyclopropanation and Epoxidation via a Catalytically Formed Chiral Auxiliary"
<p>Raw NMR, HPLC, IR and MS data for the article "Asymmetric Cyclopropanation and Epoxidation via a Catalytically Formed Chiral Auxiliary" published in Angewandte Chemie, International Edition, DOI: </p> <p><a href="https://doi.org/10.1002/anie.202113925 ">https://doi.org/10.1002/anie.202113925 </a> </p> <p>The number of the folders correspond to compounds numbers in the article. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
The Shape of Water in Zeolites and its Impact on Epoxidation Catalysis
<p><strong>The Shape of Water in Zeolites and its Impact on Epoxidation Catalysis</strong></p> <p>Daniel T. Bregante,<sup>1</sup> Matthew Chan,<sup>1</sup> Jun Zhi Tan,<sup>1</sup> E. Zeynep Ayla,<sup>1</sup> Christopher P. Nicholas,<sup>2,3</sup> Diwakar Shukla,<sup>1</sup> and David W. Flaherty<sup>1,*</sup></p> <p><em><sup>1</sup></em><em>Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61802</em></p> <p><em><sup>2</sup></em><em>Exploratory Materials and Catalysis Research, Honeywell UOP, Des Plaines, IL 60016</em></p> <p><em><sup>3</sup></em><em>C<sub>2</sub>P Sciences L3C, Evanston, IL 60202</em></p> <p><sup>*</sup>Corresponding Author: dwflhrty@illinois.edu</p> <p> </p> <p>Molecular dynamics simulations for zeolite framework studied in "<strong>The Shape of Water in Zeolites and its Impact on Epoxidation Catalysis". </strong></p> <p>Repository contains the last 100 nanoseconds of classical molecular dynamics equilibration, <em>ab initio</em> molecular dynamics trajectories, initial and final simulated zeolite structures, and scripts used for analyzing MD trajectories. </p>
Simulation data associated to the manuscript "Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions"
<p>Contains input files used to perform the simulations of the article:</p> <p>Controlling the Hydrophilicity of the Electrochemical Interface to Modulate the Oxygen-Atom Transfer in Electrocatalytic Epoxidation Reactions</p> <p>Florian Dorchies, Alessandra Serva, Dorian Crevel, Jérémy de Freitas, Nikolaos Kostopoulos, Marc Robert, Ozlem Sel, Mathieu Salanne and Alexis Grimaud<br> *ChemRxiv*, 2022</p> <p>https://doi.org/ 10.26434/chemrxiv-2022-wjsbs-v2</p> <p>Each folder contains 2 input files for MetalWalls, which is available [here](https://gitlab.com/ampere2/metalwalls). The corresponding systems are the following:</p> <ul> <li>Bulk liquids: <ul> <li>Acetonitrile - water - LiClO4</li> <li>Acetonitrile - water - LiClO4 with cyclooctene</li> <li>Acetonitrile - water - TBAClO4</li> <li>Acetonitrile - water - TBAClO4 with cyclooctene</li> </ul> </li> <li>Liquids in contact with gold electrodes: <ul> <li>Acetonitrile - water - LiClO4</li> <li>Acetonitrile - water - LiClO4 with cyclooctene</li> <li>Acetonitrile - water - TBAClO4</li> <li>Acetonitrile - water - TBAClO4 with cyclooctene</li> </ul> </li> </ul>
Data from: Lipidome modulation by dietary omega-3 polyunsaturated fatty acid supplementation or selective soluble epoxide hydrolase inhibition suppresses rough LPS-accelerated glomerulonephritis in lupus-prone mice
<p>Lipopolysaccharide (LPS)-accelerated autoimmune glomerulonephritis (GN) in lupus-prone NZBWF1 mice is a preclinical model that is potentially applicable for investigating lipidome-modulating interventions. LPS can be expressed as one of two chemotypes: smooth LPS (S-LPS) and rough LPS (R-LPS) which is devoid of O-antigen polysaccharide sidechain. Since these chemotypes differentially affect TLR4-mediated immune cell responses, these differences may influence GN induction. Therefore, we initially compared the effects of subchronic i.p. injection for 5 wk with 1) <em>Salmonella</em> S-LPS, 2) <em>Salmonella</em> R-LPS, or 3) saline vehicle (VEH) (Study 1) in female NZBWF1 mice. R-LPS induced robust elevations in blood urea nitrogen, proteinuria, and hematuria that were not evident in VEH- or S-LPS-treated mice. Histopathologic examination of R-LPS-treated mice one week after final injection further revealed more robust hypertrophy, hyperplasia, thickened membranes, lymphocytic accumulation containing B and T cells, and glomerular IgG deposition consistent with GN but not in VEH- or S-LPS-treated groups. R-LPS but not S-LPS induced spleen enlargement with lymphoid hyperplasia as well as modest inflammatory cell recruitment in the liver. We next employed our optimized R-LPS model to discern the impact of two lipidome-modulating interventions, omega-3 polyunsaturated fatty acid (PUFA) supplementation and soluble epoxide hydrolase (sEH) inhibition, on GN (Study 2). Specifically, the effects of consuming the omega-3 PUFA docosahexaenoic acid (DHA) (10 g/kg diet) and/or the sEH inhibitor TPPU (22.5 mg/kg diet) on R-LPS triggering were compared. Resultant blood fatty acid profiles and epoxy fatty acid concentrations reflected the anticipated DHA- and TPPU-mediated lipidome changes. The relative rank order of R-LPS-induced GN severity among groups fed experimental diets based on proteinuria, hematuria, histopathologic scoring, and glomerular IgG deposition was: VEH/CON < R-LPS/DHA ≈ R-LPS/TPPU <<< R-LPS/ TPPU+DHA ≈ R-LPS/CON. These interventions had modest to negligible effects on R-LPS-induced splenomegaly, plasma antibody responses, liver inflammation, and inflammation-associated kidney gene expression. Collectively, our results show for the first time that absence of O-antigenic polysaccharide in R-LPS is critical to accelerated GN in lupus-prone mice. Furthermore, intervention by lipidome modulation through DHA feeding or sEH inhibition suppressed R-LPS-induced GN; however, these ameliorative effects were greatly diminished upon combining the treatments.</p>
Subarachnoid Hemorrhage and Soluble Epoxide Hydrolase Inhibition Trial
ClinicalTrials.gov study NCT03318783. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Soluble Epoxide Hydrolase Inhibition and Insulin Resistance
ClinicalTrials.gov study NCT03486223. IPD Sharing: NO. Countries: 1. Publications: 4.
Data from: Lipidome modulation by dietary omega-3 polyunsaturated fatty acid supplementation or selective soluble epoxide hydrolase inhibition suppresses rough LPS-accelerated glomerulonephritis in lupus-prone mice
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Data from: Direct propylene epoxidation via water activation over Pd-Pt electrocatalysts
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Data from: Impact of soluble epoxide hydrolase inhibition on silica-induced pulmonary fibrosis, ectopic lymphoid neogenesis and autoantibody production in lupus-prone mice
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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>
Data used for the paper Daniel Malko, Yanjun Guo, Pip Jones, George Britovsek, and Anthony Kucernak, "Heterogeneous iron containing carbon catalyst (Fe-N/C) for epoxidation with molecular oxygen|", Journal of Catalysis, 2019, DOI:10.1016/j.jcat.2019.01.008
<p>The data in this spreadsheet was used to produce the figures in the paper</p> <p>Daniel Malko, Yanjun Guo, Pip Jones, George Britovsek, and Anthony Kucernak</p> <p>Heterogeneous iron containing carbon catalyst (Fe-N/C) for epoxidation with molecular oxygen</p> <p>Journal of Catalysis</p> <p>DOI:10.1016/j.jcat.2019.01.008</p> <p>Please cite the above reference if you wish to use this data<br> DOI of this data file is: 10.5281/zenodo.2539183</p>
The Effect of Soluble Epoxide Hydrolase (SEH) on Depression
ClinicalTrials.gov study NCT05575713. IPD Sharing: UNDECIDED. Countries: 1. Publications: 3.
Pharmaceutical Effects of Inhibiting the Soluble Epoxide Hydrolase in Canine Osteoarthritis
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Gene expression profile of Pafah2-deficient bone marrow derived mast cells (BMMCs) treated with w3 epoxides or GW9662
GEO Series GSE94527. Mus musculus. 3 samples. Type: Expression profiling by array.
Evaluation of the Effects of Urotensin-II and Soluble Epoxide Hydrolase Inhibitors on Skin Microvessel Tone in Patients With Heart Failure, and in Healthy Volunteers
ClinicalTrials.gov study NCT00654966. IPD Sharing: Not stated. Countries: 1. Publications: 0.
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