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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,028 datasets
386.2 KB of structural data for the JAK1-selective inhibitor povorcitinib (INCB054707), authored by Jincong Zhuo and last updated in May 2026. The dataset, shared on figshare under a CC-BY-NC-4.0 license, includes protein crystallography information supporting the compound's selectivity and improved pharmacokinetics. It was used to demonstrate dose-dependent efficacy in murine arthritis models.
A 2026 study identified 24 phenolic compounds in wild bilberry (Vaccinium meridionale Swartz) across 118 genotypes, ripe fruit, and leaf samples using RP-UHPLC-DAD and ESI-QTOF-MS/MS. Genome-wide association studies using 16,709 SNPs across 69 genotypes revealed 40 significant QTNs associated with seven compounds. The dataset, authored by Carlos-Eduardo Narváez-Cuenca, provides molecular targets for breeding programs.
Vaccinium meridionale Swartz (wild bilberry) from an unspecified region was analyzed for its phenolic content. The dataset includes measurements for 24 compounds from 118 fruit genotypes and leaf samples, analyzed via RP-UHPLC-DAD and ESI-QTOF-MS/MS, and results from a genome-wide association study using 16,709 SNPs across 69 genotypes. The data was authored by Carlos-Eduardo Narváez-Cuenca and last updated in June 2026.
A dataset of 24 anthocyanin and nonanthocyanin phenolic compounds identified in wild bilberry (Vaccinium meridionale Swartz) fruit and leaf samples from 118 genotypes. The data includes compound concentrations and results from a genome-wide association study (GWAS) using 16,709 SNPs across 69 genotypes, identifying 40 quantitative trait nucleotides. The dataset was created by Carlos-Eduardo Narváez-Cuenca and last updated in June 2026.
A study from 2026 by Carlos-Eduardo Narváez-Cuenca profiles anthocyanin and nonanthocyanin phenolic compounds in the wild bilberry Vaccinium meridionale Swartz. It includes data from 118 fruit genotypes, control fruit, and leaf samples, identifying 24 compounds via RP-UHPLC-DAD and ESI-QTOF-MS/MS. Genome-wide association studies using 16,709 SNPs across 69 genotypes identified 40 significant quantitative trait nucleotides linked to seven phenolic compounds.
24 phenolic compounds were identified in wild bilberry (Vaccinium meridionale Swartz) fruit and leaves using RP-UHPLC-DAD and ESI-QTOF-MS/MS. The dataset includes concentration ranges for compounds like chlorogenic acid (223.5–2539.8 mg/100g DW) and results from a GWAS using 16,709 SNPs across 69 genotypes, revealing 40 QTNs. Authored by Carlos-Eduardo Narváez-Cuenca and last updated in June 2026, this work provides molecular targets for breeding programs.
John Dalton's 1808 work compiled experimental data that led to the discovery of the law of multiple proportions. The dataset is a 352.9 KB PDF file containing various atoms and molecules from his book, <i>A New System of Chemical Philosophy</i>. It was uploaded by Ben Friday under a CC-BY-4.0 license.
Eight compounds were isolated from the aerial parts of Tarlmounia elliptica, including two previously undescribed structures. Their characterization involved HRESIMS, 1D/2D NMR spectroscopy, and quantum chemical calculations. Biological evaluation for cytotoxic, anti-inflammatory, and antibacterial activities was performed, with one known compound showing weak activity against MRSA.
A theoretical study evaluates 12 fluorinated-imidazolium ionic liquids for capturing up to 5 CO2 molecules. The molecular clusters were generated using a stochastic dynamic search algorithm and optimized with Density Functional Theory (DFT) calculations. The dataset was authored by Jennifer Cuellar and last updated on 2026-05-28.
Poly(4-styrenesulfonic acid-co-maleic anhydride) sodium salt (PSSMA) was used to regulate the formation of BiOCl nanostructures, resulting in hierarchical microspheres with enlarged interlayer spacing and increased specific surface area. The dataset, authored by Meng Chen and last updated in May 2026, likely contains experimental results on adsorption capacities for cationic dyes and photocatalytic degradation efficiencies under visible light. It also includes data on ultrasound-driven H₂O₂ production reaching 760 μmol·g⁻¹·h⁻¹ after in situ formation of metallic Bi.
A Julia-based analytical pipeline and processed data for a meta-analysis of retention time and chemical compound data from the RepoRT repository. The dataset, created by Lapo Renai and last updated in April 2026, includes molecular descriptors, refined retention times, method metadata, and serialized PCA results. It is 613.7 MB in size and contains CSV and JLD2 files.
A 398-byte dataset from figshare, last updated on 2026-05-26. It contains data related to the discovery and characterization of first-in-class covalent inhibitors targeting the kinase PFKFB3 in pancreatic ductal adenocarcinoma (PDAC) models. The dataset was authored by Alessandra Fiore and is shared under a CC-BY-NC-4.0 license.
Quantitative phytochemical and bioactivity data for a 70% ethanolic extract of Oxalis corniculata. The dataset includes IC50 values for DPPH radical scavenging (40.74 µg/ml), acetylcholinesterase inhibition (34.54 µg/ml), butyrylcholinesterase inhibition (8.91 µg/ml), and α-glucosidase inhibition (40.59 µg/ml). Authored by Inayat Ullah and last updated on figshare in May 2026.
A phytochemical study quantifies tannin, flavonoid, and phenolic content in a 70% ethanolic extract of Oxalis corniculata. The dataset includes results from DPPH radical scavenging, antibacterial, α-glucosidase, cholinesterase, and monoamine oxidase inhibition assays, reporting specific IC50 values. Authored by Inayat Ullah and last updated on 2026-05-14.
A figshare dataset by Ergün Gültekin, last updated May 2026, containing research on novel chemical compounds. The study details the synthesis, characterization, and inhibitory activity of five 3-pentyl-substituted 1,2,4-triazole-5-thione Schiff base derivatives against urease and α-glucosidase enzymes.
Department of Social Services payment data is aggregated by 2024 Commonwealth Electoral Division for use in National Map. All cell values are rounded to the nearest 5 to protect privacy, with values from 1 to 7 rounded to 5, which may cause non-additivity in totals. The dataset is provided in a CSV-GEO-AU format and was last updated on 2026-05-15.
A research article describing a solvothermal synthesis method for incorporating fluorine, boron, and nitrogen into platinum-based compositionally complex alloy (CCA) electrocatalysts. The methodology yields a library of materials with compositional tunability, facilitating structure-function studies. Selected CCAs demonstrate exceptional performance as oxygen reduction electrocatalysts for fuel cells.
Rita Gouveia's dataset contains experimental results for removing the pharmaceutical diclofenac from wastewater using biochar derived from brewery waste and a biocatalytic composite (BC-LAC). The data includes material characterizations with specific surface areas of 301 m²/g and 191 m²/g for BC and BC-LAC, respectively, and results from batch and semi-continuous operation modes in stirred tank and fixed-bed column configurations. The dataset was last updated on 2026-05-25.
Rita Gouveia's research dataset compares the diclofenac removal efficiency of waste-derived biochar and a biochar-laccase composite in batch and semi-continuous systems. The data includes material characterization results, such as specific surface areas of 301 m²/g and 191 m²/g, and performance metrics from stirred tank and fixed-bed column experiments. The dataset was last updated on 2026-05-25.
239.5 MB of raw NMR data files for new compounds synthesized via hexadehydro-Diels-Alder reactions. The dataset, published by Thomas Hoye on figshare, contains data for polycyclic products with helical topologies derived from reactions of vinyl-substituted arenes with benzynes. The work highlights complex, atom-economical cascade reactions forming up to five new rings.