Loading...
Loading...
Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,319 datasets
A 2.0 MB dataset in XLSX format, uploaded by Huazhang Shu to figshare and last updated on 2026-05-29. It contains data related to the antiviral drug molnupiravir and its interaction with host enzymes. The description suggests the data underpins research on uridine cytidine kinases (UCK1 and UCK2) and their role in the drug's bioactivation and anti-SARS-CoV-2 efficacy.
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.
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.
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.
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.
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.
Macrobenthic Activity and its Effects on Biogeochemical Reactions and Fluxes is a monograph examining ocean margin systems. The text analyzes regulatory aspects for long-term development, the impact of fluids, and the dynamics of benthic life at and below the seafloor. It explores how processes like tectonics, sea-level fluctuations, and mountain building shape these transitional zones between oceans and continents.
Four male-specific volatile compounds from the big avocado seed weevil were identified using gas chromatography and mass spectrometry. The dataset likely contains quantitative measurements of grandisol, papayanol, papayanal, and grandisal in a specific ratio. Alicia Romero-Frías authored this research, which aims to support integrated pest management strategies.
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.
James H. Woods from the University of Michigan published this dataset on paperswithcode. It likely contains results from the 1992 evaluation of new chemical compounds for their opioid activity. The specific data format, size, and column details are not provided in the metadata.
A cryo-electron microscopy structure of the ABCG2 E211Q mutant protein bound to estrone 3-sulfate and 5D3-Fab, authored by Ioannis Manolaridis of ETH Zurich. The description suggests the data relates to substrate and inhibitor binding, where compound size and affinity are important distinguishing factors. The dataset is available under an Open Access license via the paperswithcode platform.
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 massive, high-quality analytical reasoning dataset built from Claude Sonnet 4.6 and Claude Opus 4.6/4.7. The dataset was created by author qsardor and was last updated on July 13, 2026. It has been forensically scrubbed of system prompts, AI personas, and roleplay to serve as a distilled engine for teaching models like Gemma 4.