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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,324 datasets
A 95.7 KB document by Shulai Zhou, last updated March 18, 2026, details the optimization of a brewing process for black tea-coffee compound fruit wine. The study used single-factor tests and response surface methodology to determine optimal ingredient ratios and fermentation temperature. The results include a sensory score of 95.6 ± 1.3 and mass spectrometry analysis showing changes in beneficial and undesirable flavor components.
Doortje Borrenberghs published an ADME-Tox profile for compounds JNJ-3644, JNJ-1953 and JNJ-4840 on figshare. The dataset is a 9.5 KB Excel file, last updated on May 5, 2026. It is available under a CC-BY-4.0 license.
A study on Atractylodes macrocephala Rhizoma (Baizhu) analyzed using HS-GC–MS, LC–MS, electronic nose, and electronic tongue. The research identified four volatile and six non-volatile differential compounds across grades and established a multi-technology fusion model achieving 98.33% classification accuracy. It was authored by Ruiqi Yang and published in 2026.
Eighty Duroc × Landrace × Yorkshire pigs were fed diets with varying levels of fermented Chinese herbal medicine over a 110-day trial. The study measured growth performance, cecal microbiota composition, metabolite profiles, and muscle flavor compounds. It provides data on associations between microbial shifts, metabolic changes, and alterations in muscle fatty acids and volatile organic compounds.
Eighty Duroc × Landrace × Yorkshire pigs were fed diets supplemented with 0.4%, 0.6%, or 0.8% fermented Chinese herbal medicine over a 110-day trial. The study measured effects on final body weight, average daily gain, cecal microbiota composition, metabolite levels, and muscle flavor compounds. Data includes growth performance metrics, microbial genus abundances, and metabolite concentrations.
Experimental data on extracting total phenolic compounds and flavonoids from coffee pulp using ethanol and a choline chloride-citric acid solvent. The dataset includes raw and calculated results from experiments designed with four parameters: time, temperature, concentration, and solvent-to-solids ratio. It was authored by Konstantina Tsigkou and last updated on April 13, 2026.
25,949 normalized rows form a benchmark for evaluating end-to-end medical question-answering systems. It was originally built to evaluate MAMAI, a RAG chatbot for nurses and midwives in Zanzibar. The dataset, authored by nmrenyi, includes multiple-choice and open-ended QA tracks.
Norway spruce is a conifer storing large amounts of terpenoids in resin ducts. This dataset contains terpenoid content and composition measurements from xylem sap, needles, bark, wood, and roots of field-grown trees, as well as terpenoid emissions from needles. The work by Qiuxiao Duan provides evidence for internal transport of terpenoids within conifers.
1.6 MB of raw NMR data files shared under a CC-BY-4.0 license. The dataset is a tutorial demonstrating the value of resolution enhancement in 1D NMR spectra, authored by Thomas Hoye and last updated on April 30, 2026.
A dataset listing categories of flavor compounds found in Baijiu base liquors and their contributions to flavor. The dataset was authored by Qing He and last updated on April 30, 2026. It is a 5.5 KB Excel file available under a CC-BY-4.0 license.
A 20.3 KB Excel file containing supplementary data for a table categorizing flavor compounds in Baijiu base liquors and their contributions. The dataset was authored by Qing He and last updated on April 30, 2026. It is shared under a CC-BY-4.0 license on the figshare platform.
Odor activity value (OAV) contributions of key compounds for different aging periods of Baijiu base liquors. The 16.2 KB XLSX file, authored by Qing He and last updated in April 2026, provides quantitative data on the chemical drivers of aroma in this traditional Chinese spirit. This dataset is licensed under CC-BY-4.0 for open use.
Nuclear magnetic resonance (NMR) spectra for a series of prepared chemical compounds. The dataset, authored by Tomas Chlupaty, is a 122.8 MB ZIP file containing spectra related to the reinvestigation of carbodiimide guanylation reactions. It was last updated on May 4, 2026, and is shared under a CC-BY-4.0 license.
A book examining regulation, fluid impacts, and benthic life dynamics in ocean margin systems. The dataset is hosted by the Australian Ocean Data Network and was last updated on 2026-04-16. The content focuses on processes shaping transitional zones between oceans and continents.
Proteomic data supporting a study of the super-fast muscle gene expression program and the biophysical consequences of myosin binding protein-H family members. The dataset includes differentially expressed genes, all detected peptides, and all detected proteins, compiled by David Barefield. The files were last updated on April 20, 2026.
A small dataset of 5.5 KB, last updated on April 29, 2026, provides identities, molecular weight, and predicted inhibitory constants for a set of selected chemical compounds. The dataset was authored by Juliana Amorim and is shared under a CC-BY-4.0 license on figshare. The exact number of compounds and the source of the predictions are not detailed in the available metadata.
Predicted activity values for chemical compounds that fall within a defined applicability domain and activity range. The dataset is a 596.1 KB Excel file authored by Juliana Amorim and shared under a CC-BY-4.0 license. It was last updated on April 29, 2026.
812.2 KB of chemical data compiled by Juliana Amorim and last updated in April 2026. This Excel file contains a list of compounds selected based on their pharmacophoric features, which are structural patterns associated with biological activity. The dataset is shared under a permissive CC-BY-4.0 license.
Dylan Lambert's 9.5 KB Excel file lists the primary compounds identified and characterized in the CWE. The dataset was last updated on April 29, 2026, and is shared under a CC-BY-4.0 license on figshare. Its small size suggests it is a focused summary rather than a large-scale collection.
A list enumerates natural extracts and polyphenolic compounds analyzed in a specific study. The dataset is a 5.5 KB Excel file authored by Dylan Lambert and shared under a CC-BY-4.0 license. It was last updated on April 29, 2026.