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13
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ShareScore release 0.9.0
Dataset results
13 results for “allylic”
Structurally well-defined anti-π-allyliridium complexes catalyze Z-retentive asymmetric allylic alkylation of oxindoles
<p>Uploaded herein are all the output files of the computational studies on Ir-catalyzed <em>Z</em>-retentive asymmetric allylic alkylation of oxindoles.</p> <p>Some Gaussian checkpoint files, summary of Mayer bond order calculations (as plain txt files), and the output and checkpoint files of the calculations on a known Ir-complex (JACS, 2017, 3606), are included in this update.</p>
Raw diffraction images of cypovirus polyhedra crystals containing Pd(allyl) complexes
<p>Diffraction images of wild type cypovirus polyhedra in-vivo crystals (WTPhC) and the mutant (Δ3-PhC) related to PDB codes <a href="https://www.rcsb.org/structure/5YHA">5YHA</a> and <a href="https://www.rcsb.org/structure/5YHB">5YHB</a>, respectively (<a href="http://dx.doi.org/10.1039/c7cp06651a">Abe et al., 2017, Phys. Chem. Chem. Phys.</a>).</p> <p>Small-wedge (5° or 10°/crystal) datasets were collected from loop-harvested microcrystals automatically with ZOO system using EIGER X 9M detector at a wavelength of 1 Å on BL32XU, SPring-8.</p> <p>The crystals belonged to space group I23 with unit cell parameter a~103 Å. All datasets were processed and merged using KAMO pipeline with XDS.</p> <p>NOTE that master.h5 files were modified; see <a href="https://github.com/keitaroyam/yamtbx/blob/master/doc/eiger-en.md">https://github.com/keitaroyam/yamtbx/blob/master/doc/eiger-en.md</a>.</p>
Dataset: Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene intermediates
<p>The derived data is part of a manuscript submitted to the journal Green Chemistry, entitled "Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene intermediates". [DOI https://doi.org/10.1039/d4gc03143a. This work is supported by the Swiss National Science Foundation (project number 200021_178952)</p> <p>Raw data can be found: https://doi.org/10.16907/1ac46f03-6e1b-4230-b5c0-3df2cec87b5e</p> <p>The raw Photoelectron Photoion Coincidence (PEPICO) data were obtained during catalytic fast pyrolysis of eugenol, vanillin, syringol over H-ZSM-5 and HFAU. The analysis software can be obtained from: https://www.psi.ch/en/sls/vuv/pepico. The folders contain mass spectra and threshold photoelectron raw data at different reactor temperatures.</p>
Directed Evolution of a Surface-Displayed Artificial Allylic Deallylase Relying on a GFP Reporter Protein
<p>Data underlying the figures in the publication “Directed Evolution of a Surface-Displayed Artificial Allylic Deallylase Relying on a GFP Reporter Protein”, published in <em>ACS Catal</em>. <strong>2021</strong>, 11, 17, 10705–10712.</p> <p>https://pubs.acs.org/doi/10.1021/acscatal.1c02405</p> <p>Table of contents:</p> <p><strong>1. Dataset</strong>; Excel file with the experimental data for <em>figures 2a, 2b, 3b</em> and <em>5</em>, plus protocol for in vivo catalysis, sequencing data and the selection for rescreening.</p>
Palladium-Catalyzed Directed meta-Selective C–H Allylation of Arenes: Unactivated Internal Olefins as Allyl Surrogates
<p>This dataset contains the geometries of all optimized structures (in <em>.xyz</em> format with their associated energy in Hartrees) accompanying the paper "Palladium-Catalyzed Directed meta-Selective CH Allylation of Arenes: Unactivated Internal Olefins as Allyl Surrogates "</p>
Primary Data for Titanium and Cobalt Bimetallic Radical Redox Relay for the Isomerization of N-Bz Aziridines to Allylic Amides
<p><sup>1</sup>H and <sup>13</sup>C spectra primary data for Titanium and Cobalt Bimetallic Radical Redox Relay for the Isomerization of N-Bz Aziridines to Allylic Amides. Spectra were recorded on Inova-400 (400 MHz), Inova-500 (500 MHz), and Inova-600 (600 MHz) spectrometers. FID data related to <sup>1</sup>H, <sup>13</sup>C, and 2D NMR spectra are available for each compound in the list shown inside the Read Me document. Folders are named by the product number found in the main text and contain subfolders for <sup>1</sup>H (indexed as 10) and <sup>13</sup>C (indexed as 20). All subfolders related to 2D NMR data are named based on the 2D experiment (i.e. COSY experiments are named COSY). The files may be processed using MestRec, Kirk Marat’s Spinworks, or Delta by JEOL.</p>
Raw Data for Article "Access to Vinyl Ethers and Ketones with Hypervalent Iodine Reagents as Oxy-Allyl Cation Synthetic Equivalents"
<p>NMR, IR and MS raw data for the article "Access to Vinyl Ethers and Ketones with Hypervalent Iodine Reagents as Oxy-Allyl Cation Synthetic Equivalents" published in Angewandte Chemie in 2020, DOI: 10.1002/anie.202006707 and 10.1002/ange.202006707</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>
Analytical data for Allylic C(sp3)―H Arylation of Olefins via Ternary Catalysis
<p>NMR and GCMS dataset for "Allylic C(sp3)―H Arylation of Olefins via Ternary Catalysis". NMR data are available as .mnova files</p>
Allyl-isothiocyanate treatment induces a complex transcriptional reprogramming including heat stress, oxidative stress and plant defense responses in Arabidopsis thaliana
GEO Series GSE81634. Arabidopsis thaliana. 12 samples. Type: Expression profiling by array.
Transcriptomic response of Xanthomonas campestris pv. campestris after exposure to allyl-isothiocyanate and indol-3 carbinol
GEO Series GSE167555. Xanthomonas campestris pv. campestris. 6 samples. Type: Expression profiling by high throughput sequencing.
Genome-wide expression profiling after Allyl Alcohol treatment in Saccharomyces cerevisiae
GEO Series GSE62399. Schizosaccharomyces pombe; Saccharomyces cerevisiae. 4 samples. Type: Expression profiling by array.
Transcriptomic response of Sclerotinia sclerotiorum after exposure to allyl-isothiocyanate and indol-3 carbinol
GEO Series GSE144344. Sclerotinia sclerotiorum. 6 samples. Type: Expression profiling by high throughput sequencing.
Allyl isothiocyanate (AITC) trigged morphological, sensing process and transcription profiling alternation in Fusarium solani
GEO Series GSE146707. Fusarium solani. 12 samples. Type: Expression profiling by high throughput sequencing.
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