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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,029 datasets
75 flavor compounds were detected in Luzhou-flavor base liquor across five aging periods (1, 5, 10, 15, and 20 years). The dataset, created by Qing He and published on figshare in 2026, contains results from GC-MS, metabolomic analysis, and three-dimensional fluorescence spectroscopy to track compositional evolution. It provides a scientific foundation for understanding aging mechanisms and optimizing Baijiu processing.
A research document detailing the synthesis and biological evaluation of 15 novel thiazole-based compounds (8a-o) as potential anticancer agents. The study, authored by Lamya H. Al-Wahaibi and last updated in April 2026, includes results from single-dose and five-dose antiproliferative assays against the NCI 60 cell line panel, tubulin inhibition IC50 values, cell cycle analysis, and molecular docking studies. The data is shared under a CC-BY-4.0 license.
One undescribed triterpenoid and four novel triterpenoid saponins were isolated from the leaves of Eleutherococcus sessiliflorus. Their chemical structures were determined using spectroscopic data analysis, X-ray diffraction, and computational methods. The neuroprotective potential of these isolates was evaluated in an in vitro model of oxidative stress using HT22 mouse hippocampal neuron cells.
2.2 MB of data supporting research on interfacial mass and dissolution pathways. The dataset was authored by Junsoo HAN and last updated on May 28, 2026. It is provided in XLSX format under a CC-BY-4.0 license.
A curated dataset from the ChEMBL database used to identify and optimize potential 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMGR) inhibitors. The data was analyzed through physicochemical descriptor profiling, exploratory data analysis, and principal component analysis, leading to the development of quantitative structure–activity relationship (QSAR) models. The dataset was authored by Priya Antony and last updated on 2026-04-30.
157 volatile compounds were identified in cigar tobacco leaves during a 30-day fermentation experiment. Gas chromatography–ion mobility spectrometry and microbiome sequencing were used to analyze flavor compounds and microbial community dynamics under different flavonoid treatments. The dataset, authored by Jian Zhang and licensed CC-BY-4.0, provides insights into how specific flavonoids modulate fermentation outcomes.
A research dataset from figshare details the anti-inflammatory and anti-arthritic potential of Saussurea costus, a plant used in traditional Chinese medicine. The study, authored by Janika Welzel, applies a thiol-reactive compound depletion method to identify electrophile-dependent and independent constituents. The data, last updated in May 2026, is contained within a 1.8 MB PDF file.
A phytochemical study of Impatiens macrantha isolated a new biflavan and nine known compounds. The new compound, macranthabiflavan A, exhibited potent α-glucosidase inhibitory activity with an IC50 of 13.08 μg/mL, stronger than the control acarbose. Molecular docking analysis revealed its binding affinity and mechanism of action.
Four ruthenium(II) polypyridyl complexes bearing the H2S-releasing donor GYY4137 were synthesized and characterized. Their photochemical reactivity was investigated, revealing a two-step ligand photodissociation process with long-lived intermediates. The dataset includes measurements of photochemical quantum yields and results from density functional theory calculations.
Piyusha S. Lotlikar uploaded this dataset to figshare on 2026-05-07. It contains data from a study investigating four synthesized ruthenium polypyridyl complexes as photoreleasing agents for the hydrogen sulfide donor GYY4137. The dataset includes results from NMR spectroscopy, X-ray crystallography, photochemical reactivity measurements, and density functional theory calculations.
Electrospray ionisation time of flight mass spectrometry spectra display the relative abundance of detected ions across the m/z range for dengue and healthy cohorts. Data were acquired under identical instrumental conditions and are presented as representative scans in a 6.2 MB ZIP file. Abdul R. Anshad published the dataset on figshare with a CC-BY-4.0 license, last updated on 2026-05-12.
Jenna M. Berger's dataset profiles the release kinetics and chemical diversity of opioid peptides from adrenal chromaffin cells. The data was generated using a workflow integrating real-time electrochemical detection and liquid chromatography–mass spectrometry (LC–MS). The dataset was last updated on 2026-05-06.
PtSiSb is a solid-state compound with rare covalent Si–Sb bonds. The dataset, authored by Ernesto Soto and last updated on 2026-05-06, contains synthesis and characterization data for single-phase polycrystalline samples, including crystal structure files (CIF), transport measurements, and catalytic performance metrics. It serves as a case study bridging theoretical predictions and experimental material properties.
A Novel Pyrrole Acylsulfonamide, Compound 42, as a Dual URAT1/GLUT9 Inhibitor is a dataset from figshare, authored by Zhenqian Wang and last updated on 2026-04 17. The data likely contains experimental results for a novel compound designed for hyperuricemia and gout therapy. It includes in-vivo efficacy metrics, in-vitro IC50 values for key transporters, and pharmacokinetic parameters.
A 2020 study published in Marine and Petroleum Geology analyzes hydrocarbon fluid samples from the Browse Basin, Australia. Researchers used comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC×GC-TOFMS) to examine diamondoids and semi-volatile aromatics. The data demonstrates that numerous accumulations within the basin contain hydrocarbons from mixed sources, revealing a complex fill history.
Meng Chen published a 2.3 MB document on figshare in May 2026 detailing polymer-regulated synthesis of BiOCl. The dataset likely contains experimental details on structural and defect evolution enabling in situ Bi formation. Its CC-BY-4.0 license facilitates open reuse for material science research.
Raw data associated with a 2026 manuscript on disrupting Alzheimer's amyloid fibrils. The 28.7 MB collection includes uncropped gel images, SEM images, AFM experiment files, and NMR spectra files. It was authored by Balaram Mukhopadhyay and shared under a CC-BY-4.0 license.
Geoscience Australia Data published a study combining two-dimensional gas chromatography and compound-specific isotope analysis to identify hydrocarbon sources in the Browse Basin. The analysis focuses on diamondoids, n-alkanes, and aromatic hydrocarbons from non-biodegraded and biodegraded oil fields. The dataset, last updated on 2026-04-30, is presented in PDF format.
Julia E. Dreifus published a dataset on figshare in April 2026, detailing a novel method for visualizing post-glycosylation modifications (PGMs) in tissue N-glycans. The dataset, 889.2 KB in size, supports the described approach using matrix-assisted laser desorption ionization-based mass spectrometry imaging. The method enables in situ investigation of PGM distributions to aid in identifying novel disease biomarkers.
581.3 KB of crystallographic information file (CIF) data describes a single-step photoinduced alkene coupling reaction. The dataset, authored by Yubin Liu and last updated in May 2026, details a method using quinoxalinones and indoleones that proceeds with high yield, strict stereoselectivity, and broad substrate scope in a recyclable ionic liquid medium.