Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
192
datasets available to search
ShareScore release 0.9.0
Dataset results
192 results for “arylation”
Cobalt-Mediated Photochemical C−H Arylation of Pyrroles
<p>Optimized geometries in xyz-format, supplement to the journal article published in <em>Angew. Chem. Int. Ed. </em><strong>2024</strong>, e202405780 (<a href="https://doi.org/10.1002/anie.202405780">https://doi.org/10.1002/anie.202405780</a>).</p>
Data described in the article "New Bacterial Aryl Sulfotransferases: Effective Tools for Sulfation ofPolyphenols"
<p>Supporting Information contains additional data, Tables,and Figures on the production and biochemicalcharacterization of recombinant ASTs, on the screeningof their sulfation abilities, and structural characterizationof isolated sulfate products.</p>
Primary data for N-heterocyclic carbene switchable radical or benzyne meditated arylation of thiols using DMF/KOtBu
<p>NMR data files for the manuscript:</p> <p><br>N-heterocyclic carbene switchable radical or benzyne mediated arylation of thiols using DMF/KOtBu</p> <p> </p> <p>Consists of FID files for all diaryl sulfides presented in the manuscript. These may be opened using NMR processing software such as Topspin, Spinworks or MestReNova.</p> <p> </p>
Raw data for the article "Substrate-Controlled C-H or C-C Alkynylation of Cyclopropanes: Generation of Aryl Radical Cations by Direct Light Activation of Hypervalent Iodine Reagents "
<p>Raw computational, NMR, IR and MS data for the article "Substrate-Controlled C-H or C-C Alkynylation of Cyclopropanes: Generation of Aryl Radical Cations by Direct Light Activation of Hypervalent Iodine Reagents " published in Chemical Science, DOI: </p> <p><a href="https://doi.org/10.1039/D2SC04344K">https://doi.org/10.1039/D2SC04344K</a></p> <p>The number of the folders either correspond to compounds numbers in the article or the name of the folder is self-describing. All details concerning conditions and equipment for measurements can be found in the supporting information of the article.</p>
MONOTERPENOID ARYL HYDROCARBON RECEPTOR ALLOSTERIC ANTAGONISTS PROTECT AGAINST ULTRAVIOLET SKIN DAMAGE IN FEMALE MICE
<p>Source data for publication of paper in Nature Communication. Current phase - final revision - mandatory deposition of the data</p>
Supporting Information for Synthesis of elaborate benzofuran-2-carboxamide derivatives through a combination of 8-aminoquinoline directed C–H arylations and transamidations.revised
<p>Supporting Information for Synthesis of elaborate benzofuran-2-carboxamide derivatives through a combination of 8-aminoquinoline directed C–H arylations and transamidations.</p>
Data from: Genetic variation at aryl hydrocarbon receptor (AHR) loci in populations of Atlantic killifish (Fundulus heteroclitus) inhabiting polluted and reference habitats
Background: The non-migratory killifish Fundulus heteroclitus inhabits clean and polluted environments interspersed throughout its range along the Atlantic coast of North America. Several populations of this species have successfully adapted to environments contaminated with toxic aromatic hydrocarbon pollutants such as polychlorinated biphenyls (PCBs). Previous studies suggest that the mechanism of resistance to these and other "dioxin-like compounds" (DLCs) may involve reduced signaling through the aryl hydrocarbon receptor (AHR) pathway. Here we investigated gene diversity and evidence for positive selection at three AHR-related loci (AHR1, AHR2, AHRR) in F. heteroclitus by comparing alleles from seven locations ranging over 600 km along the northeastern US, including extremely polluted and reference estuaries, with a focus on New Bedford Harbor (MA, USA), a PCB Superfund site, and nearby reference sites. Results: We identified 98 single nucleotide polymorphisms within three AHR-related loci among all populations, including synonymous and nonsynonymous substitutions. Haplotype distributions were spatially segregated and F-statistics suggested strong population genetic structure at these loci, consistent with previous studies showing strong population genetic structure at other F. heteroclitus loci. Genetic diversity at these three loci was not significantly different in contaminated sites as compared to reference sites. However, for AHR2 the New Bedford Harbor population had significant FST values in comparison to the nearest reference populations. Tests for positive selection revealed ten nonsynonymous polymorphisms in AHR1 and four in AHR2. Four nonsynonymous SNPs in AHR1 and three in AHR2 showed large differences in base frequency between New Bedford Harbor and its reference site. Tests for isolation-by-distance revealed evidence for non-neutral change at the AHR2 locus. Conclusion: Together, these data suggest that F. heteroclitus populations in reference and polluted sites have similar genetic diversity, providing no evidence for strong genetic bottlenecks for populations in polluted locations. However, the data provide evidence for genetic differentiation among sites, selection at specific nucleotides in AHR1 and AHR2, and specific AHR2 SNPs and haplotypes that are associated with the PCB-resistant phenotype in the New Bedford Harbor population. The results suggest that AHRs, and especially AHR2, may be important, recurring targets for selection in local adaptation to dioxin-like aromatic hydrocarbon contaminants.
Metadata - Direct C−H Arylation of Dithiophene-Tetrathiafulvalene: Tuneable Electronic Properties and 2D Self-Assembled Molecular Networks at the Solid/Liquid Interface
Open the record for dataset details and reuse information.
Digital research materials of spectral data for the article: [3+2]-Cycloaddition of azomethine ylides to 5-methylidene-3-aryl-2-сhalcogen-imidazolones: Access to dispiro indolinone-pyrrolidine-imidazolones
<p>Digital research materials of NMR spectral data for the article "[3+2]-Cycloaddition of azomethine ylides to 5-methylidene-3-aryl-2-сhalcogen-imidazolones: access to dispiro indolinone-pyrrolidine-imidazolones" submitted to the <em>Royal Society Open Science. </em>NMR spectra were recorded on Bruker Avance 400 and Agilent MR-400 spectrometers in DMSO-d<sub>6</sub> and C<sub>6</sub>D<sub>6</sub>. Chemical shifts were measured relative to residual solvent signals and referenced in parts per million to TMS. Original fid files are presented, which can be opened, for example, using the ASD Labs software package.</p>
Raw data for article "Palladium-Catalyzed trans-Hydroalkoxylation: Counterintuitive Use of an Aryl Iodide Additive to Promote C-H Bond Formation"
<p>Raw NMR, IR and HPLC data for the article "Palladium-Catalyzed trans-Hydroalkoxylation: Counterintuitive Use of an Aryl Iodide Additive to Promote C-H Bond Formation" published in ACS Catalysis, DOI: </p> <p><a href="https://doi.org/10.1039/D2CC00167E">https://doi.org/10.1021/acscatal.2c01809</a> </p> <p>The main folders correspond to the different parts of the manuscript and the number of the subfolders 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>
Data Set (Song et al., Scalable pillar[5]arene-integrated poly(arylate-amide) molecular sieve membranes to separate light gases. Chem. Mater. 2022)
<p>Data Set for the following publication.</p> <p>Song et al., Scalable pillar[5]arene-integrated poly(arylate-amide) molecular sieve membranes to separate light gases. Chem. Mater. 2022.</p>
Iterative Arylation of Amino Acids and Aliphatic Amines via δ‐C(sp3)−H Activation: Experimental and Computational Exploration
<p>This dataset contains the geometries of all optimized structures (in <em>.xyz</em> format with their associated energy in Hartrees) accompanying the paper "Iterative Arylation of Amino Acids and Aliphatic Amines via δ‐C(sp3)−H Activation: Experimental and Computational Exploration" published in Angew. Chem. Int. Ed.. doi:<a href="https://doi.org/10.1002/anie.201900479">10.1002/anie.201900479</a> on 28 Feb 2019.</p>
Synthesis of β-(Hetero)aryl Ketones via Ligand-Enabled Nondirected C–H Alkylation
<p>This folder contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper</p> <p>"Synthesis of β-(Hetero)aryl Ketones via Ligand-Enabled Nondirected C–H Alkylation"</p>
NHC-Mediated Photocatalytic Para-Selective C-H Acylation of Aryl Alcohols: Regioselectivity Control via Remote Radical Spiro Cyclization
<p><span>This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper</span></p> <p><span>"NHC-Mediated Photocatalytic Para-Selective C-H Acylation of Aryl Alcohols: Regioselectivity Control via Remote Radical Spiro Cyclization"</span></p>
NiCl2 as a Cheap and Efficient Precatalyst for the Coupling of Aryl Fluorosulfonate and Phosphite/Phosphine Oxide
<p>conclusions,</p> <p>We have developed a nickel-catalyzed coupling of aryl fluorosulfonates and phosphine oxides/phosphites. The using of NiCl<sub>2</sub> as a cheap pre-catalyst and avoidance of additives enable this transformation more practical. The tolerance of functional group is good, and the late-stage conversion of estrone is achieved.</p>
The Role of Dietary Tryptophan on Aryl Hydrocarbon Receptor Activation
ClinicalTrials.gov study NCT03059862. IPD Sharing: NO. Countries: 1. Publications: 11.
Digital research materials of spectral data for the article: [3+2]-Cycloaddition of azomethine ylides to 5-methylidene-3-aryl-2-сhalcogen-imidazolones: Access to dispiro indolinone-pyrrolidine-imidazolones
Open the record for dataset details and reuse information.
Data from: Genetic variation at aryl hydrocarbon receptor (AHR) loci in populations of Atlantic killifish (Fundulus heteroclitus) inhabiting polluted and reference habitats
Open the record for dataset details and reuse information.
Figure 4 from: Drapak I, Zimenkovsky B, Perekhoda L, Suleyman М, Yeromina H, Skaletska N, Seredynska N, Demchenko A (2019) Search for angiotensin II receptor antagonists among 4-aryl-n-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine derivatives. Pharmacia 66(4): 181-186. https://doi.org/10.3897/pharmacia.66.e36808
Figure 4 Superposition of molecule of the compound 3(3) hydrobromide of 4-(4-methoxyphenyl)-N-(4-bromphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine (grey) in the active site of the angiotensin receptor ІІ (PDB ID: 3R8A).
Figure 3 from: Drapak I, Zimenkovsky B, Perekhoda L, Suleyman М, Yeromina H, Skaletska N, Seredynska N, Demchenko A (2019) Search for angiotensin II receptor antagonists among 4-aryl-n-(aryl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine derivatives. Pharmacia 66(4): 181-186. https://doi.org/10.3897/pharmacia.66.e36808
Figure 3 Diagram of the interaction of the ligand in complex with the angiotensin receptor ІІ (PDB ID: 3R8A) for hydrobromide of 4-(4-methoxyphenyl)-N-(4-bromphenyl)-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-imine 3(3).
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
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.