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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,320 datasets
Arts Council England data on Catalyst Endowment Awards, which provide match funding to arts organizations with a successful fundraising track record to help them build endowments. The dataset was last updated on July 8, -2026. It is licensed under the OGL-UK-3.0.
Nuclear Magnetic Resonance Free Induction Decay data supports a 2026 Chirality article on synthetic glyco-peptoids. The 31.6 MB dataset, shared under CC-BY-4.0 by Gaetano Angelici, likely contains spectral data for compounds designed to self-assemble into nanomaterials. This data enables the exploration of structure-property relationships for potential drug delivery excipients and membrane protein stabilizers.
Annual Report (1993) by JH Woods of the University of Michigan, evaluating new compounds for opioid activity. The dataset likely contains experimental results from pharmacological assays, though specific columns and row counts are unknown. Data is sourced from the paperswithcode platform and has a closed license.
A dataset from a paper published in ACS Nano (DOI: 10.1021/acsnano.4c14100) by Henry S. Rzepa of Imperial College London. It likely contains computational chemistry data, including NMR chemical shift values such as a 13C shift of 85.1 ppm. The dataset is available via paperswithcode under an Open Access license.
Tengfei Kang published data on catalytic enantioselective dearomatizing Wittig rearrangements on figshare in May 2026. The dataset likely contains experimental results and computational insights for divergent reaction pathways. The file size is 119.3 KB.
Ten Fe(IV)O complexes were investigated using density functional theory and multireference ab initio calculations to obtain reference activation free energies for methane activation. The dataset, authored by Vic Austen and last updated in May 2026, likely contains computational results from this study. Findings include a predicted promising catalyst and benchmarking of DFT functionals against multireference barriers.
CRIM is an integrative scoring function for the Rosetta software that combines low-resolution cryo-electron microscopy density with ion mobility mass spectrometry-derived restraints to improve protein structure prediction. The dataset, authored by Jacob B. Howard and updated in May 2026, contains results from testing on an ideal set of 60 proteins and an experimental set of 54 proteins. It is a 12.9 KB XLSX file shared under a CC-BY-NC-4.0 license on figshare.
A systematic investigation of Zinc(II) coordination chemistry with picolinate and seven β-amino alcohols. The dataset includes characterization data for novel compounds synthesized via a straightforward route, with structures confirmed by infrared and 1H NMR spectroscopy, elemental analysis, mass spectrometry, and single-crystal X-ray diffraction. Selected tris-chelates displayed moderate antibacterial activity against S. epidermidis, with MIC values from 32 to 64 μg/mL.
Nimbus-6 satellite's Temperature-Humidity Infrared Radiometer (THIR) Level 1 data contains radiances expressed as equivalent brightness temperature measured in the 6.7 micron water vapor channel. The instrument provides information on upper troposphere and stratosphere water vapor content and the location of jet streams and frontal systems, with a nadir resolution of 22 km. This dataset continues measurements from earlier Nimbus missions and is archived in its original IBM 36-bit proprietary binary format.
Nimbus-4's Temperature-Humidity Infrared Radiometer (THIR) captured this 6.7-micron channel data, which is sensitive to upper atmospheric moisture and jet streams. Recovered from original IBM 360 magnetic tapes, the dataset provides Level 1 radiances expressed as brightness temperatures from April 14, 1970, to March 25, 1971. Its companion 11.5-micron channel product, THIRN4L1CH115, offers higher-resolution surface and cloud-top temperature measurements.
Nimbus-6 satellite's Temperature-Humidity Infrared Radiometer (THIR) Level 1 data contains radiances expressed as equivalent brightness temperatures measured in the 10.5-12.5 micron channel. The instrument provided day and night cloud-top or surface temperature measurements with an 8 km nadir resolution. Data are archived in their original IBM 36-bit proprietary binary format, recovered from historical magnetic tapes.
Nimbus-4's Temperature-Humidity Infrared Radiometer (THIR) captured this Level 1 meteorological radiation data in a proprietary 36-bit IBM format recovered from magnetic tapes. The 11.5-micron channel provides day and night cloud-top or surface temperature measurements with an 8 km ground resolution at the sub-point. Data coverage spans from April 13, 1970, to April 1, 1971, offering a historical record for atmospheric research.
Global satellite data from the Nimbus-5 Temperature-Humidity Infrared Radiometer (THIR) 6.7-micron channel, collected from December 19, 1972, through August 26, 1974. The dataset contains radiances expressed as equivalent brightness temperature, providing information on upper tropospheric and stratospheric moisture, jet streams, and frontal systems. Data are archived in their original IBM 36-bit proprietary binary format recovered from magnetic tapes.
A metabolomic database from a 2020/37/N/NZ9/03312 grant-funded study. It contains data on metabolic alterations in L3 larvae of Anisakis simplex induced by albendazole, ivermectin, and pyrantel, as well as their excretory/secretory metabolites. Data was generated using ultra-performance liquid chromatography coupled with mass spectrometry (UHPLC–MS) and analyzed with bioinformatics tools including Gene Ontology and KEGG pathway enrichment.
A 287.6 KB dataset containing results from a study using dispersive liquid-liquid microextraction and gas chromatography-mass spectrometry to detect Bisphenol A. The method achieved detection and quantification limits of 0.54 and 1.80 ng/mL, respectively, and was applied to commercial bottled water, cola, soda, and fruit juice samples. The dataset was authored by Maruf Hurşit Demirel and last updated on 2026-05-08.
Three fatal intoxication cases involving the synthetic cannabinoid ADB-BUTINACA are documented, with post-mortem concentrations measured across 11 biological matrices. The dataset includes femoral blood concentrations ranging from 4.2–8.2 ng/mL and heart blood from 5.7–11 ng/mL, along with tissue and fluid measurements. It was created by Annette Zschiesche and last updated on 2026-05-13.
Jennifer M. Frost published a dataset on figshare in May 2026 detailing the discovery of fosigotifator, a prodrug eIF2B activator. The 2.7 KB CSV file contains data related to improving the drug-like properties of ISR inhibitors, specifically solubility and absorption. This work is part of a research effort to develop clinical candidates for modulating the integrated stress response.
Mostafa Karami produced a novel disulfonic acid-functionalized ionic liquid catalyst, [TMEDSA][TFA]2, characterized by NMR, mass spectrometry, TG, and DSC. The dataset likely contains results from applying this dual-functional catalyst in multi-component reactions of dimedone with arylaldehydes and primary amines. The described work proposes a reaction mechanism and reports high product yields.
URSA Building Blocks (URSA-BBs) is a catalog of commercially available chemical building blocks used as stock-termination references in the URSA retrosynthesis benchmark. The dataset was created by insilicomedicine and was last updated on Hugging Face on July 7, 2026. It is described as a plain list of structures and identifiers without vendor or pricing metadata.
Ultrasound-assisted synthesis of 5-aryl-tetrahydropyrimido[4,5-b]quinolindione derivatives via a multicomponent reaction and subsequent formylation with Vilsmeier-Haack reagent were performed. Compounds were prepared by a one-pot method from specific pyrimidinone precursors, dimedone, and aromatic aldehydes through a Mannich-type reaction sequence. The dataset, associated with an open-access paper by Jorge Trilleras, describes a procedure featuring experimental simplicity and good yields without metallic catalysts.