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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,028 datasets
Geoscience Australia Data published a study analyzing hydrocarbon fluid samples from the Browse Basin, North West Shelf, Australia. The research used comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC × GC-TOFMS) to examine diamondoids and semi-volatile aromatics in whole oil and condensate samples. Results demonstrate that numerous accumulations within the basin contain hydrocarbons from mixed sources, revealing a complex fill history.
Cardiovascular diseases are the leading cause of death globally, claiming an estimated 17.9 million lives annually. This document presents research data on the sex-dependent regulation of Walras and related lncRNAs in murine models of dilated and hypertrophic cardiomyopathy, authored by Francisco J. Martinez-Amaro and last updated in May 2026. The study links lncRNA activity to unfolded protein response activation, apoptosis, and mitochondrial dysfunction.
17.9 million lives are lost annually to cardiovascular diseases, the leading global cause of death. This dataset, authored by Francisco J. Martinez-Amaro and last updated on 2026-05-11, comprises a 486.2 KB PDF data sheet detailing experimental results on sex-dependent regulation of Walras and related lncRNAs in dilated and hypertrophic cardiomyopathy murine models. The data likely contains results from qPCR, immunochemistry, Seahorse mitochondrial activity, Western blot, mass spectrometry, and cell viability analyses.
Kasuni Karunarathne published predicted pharmacokinetic properties and toxicity profiles for compounds identified in a GC-MS analysis of Tinospora cordifolia stem methanol extract. The predictions were generated using SwissADME, ProTox 3.0, and Datawarrior software tools. The dataset is available as a 23 KB XLSX file on figshare.
Garrett W. Collins published a dataset on figshare in May 2026 containing experimental data from a high-throughput spectroelectrochemistry platform. The dataset includes measurements for 94 sulfonate anions used to build regression models correlating OMIEC performance with molecular descriptors. It is stored in an XLSX file sized at 341.4 KB.
A research dataset from Garrett W. Collins, published on figshare in 2026, containing experimental data on organic mixed ionic–electronic conductors. It includes spectroelectrochemistry measurements for 94 sulfonate anions, used to build regression models correlating performance metrics with molecular descriptors. The work identifies anions enabling doping at lower voltages for enhanced device performance.
Gabriele La Monica published a dataset on figshare in May 2026 describing a series of imidazole-functionalized thieno[3,2-c]quinoline-2-carboxylates. The dataset likely contains results from NCI-60 human tumor cell line screening and computational analyses, including docking, molecular dynamics, and DFT studies. The file is 185.9 KB in size.
148.8 KB of data from a study on redox-active manganese complexes. The dataset, authored by Viani Maxwell and last updated in April 2026, includes computational and experimental results for MnI, Mn0, and Mn–I dicarbene complexes. It likely contains steric volume calculations, electrochemical simulation results, and catalytic cycloisomerization outcomes.
Zi-Yang Qin published this dataset on figshare in May 2026. It contains data related to engineered protoglobin-derived hemoproteins that catalyze stereoconvergent intermolecular amination. The enzymatic platform processes mixtures of silyl enol ethers to produce α-aminoketones with yields up to 79% and enantiomeric excess up to 95%.
A fluorescent sensor platform developed by Kyra D. Tripp for detecting and differentiating three specific perfluorooctanoic acid (PFOA) precursors. The sensor array likely contains data on fluorescence responses to individual precursors, mixtures, and complex soil samples at low nanomolar concentrations. The dataset was last updated on May 6, 2026.
Leah Harnisch-Weidauer provides insights into quantifying variability in electrochemically active surface area due to random pore-size distribution in nickel foam electrodes. The dataset includes verification from four electrochemical laboratories. The file is 45.8 MB and was last updated on May 25, 2026.
Experimental and computational data from a study on the sequence-regulated terpolymerization of ethylene with anisylpropylene monomers. The dataset, 989.3 KB in size, was authored by Wenlong Huang and last updated on May 12, 2026. It combines experimental results with density functional theory (DFT) calculations to elucidate polymerization mechanisms.
38.7 KB of XYZ files contain structural data for cadmium complexes synthesized with the bis(2-pyridylthio)methane ligand. The dataset, authored by Daniel G. Shlian and last updated in May 2026, describes compounds including a six-coordinate cadmium dialkyl complex and dimeric cadmium siloxides. It contrasts monomeric and dimeric structures with zinc counterparts, supported by DFT calculations.
Ramon S. da Silva provides computational data for 12 diaryl sulfide derivatives. The dataset contains results from nine DFT functionals, including geometric parameters, dipole moments, vertical transition energies, and thermochemical properties, benchmarked against high-level DLPNO–CCSD(T)/cc-pVTZ calculations. It was last updated on 2026-05-01.
Supplementary tables and raw data from a study on the thermal evolution of coal-derived dissolved organic matter (Coal-DOM). The dataset, authored by Peng Ge and shared under CC-BY-4.0, includes results from experiments simulating geothermal conditions at 25 and 50°C on coals of different ranks. It was last updated on 2026-05-08.
Tereza Kadavá published Orbitrap-based charge detection mass spectrometry and mass photometry data on figshare in May 2026. The 178.3 MB dataset supports research on higher-order structure and proteoforms of co-occurring C4b-binding protein assemblies in human serum. It is available in CSV and MZXML formats under a CC-BY-4.0 license.
A comparative chemical analysis of two varieties of the medicinal herb Ligusticum chuanxiong from Gansu Province. The dataset includes measurements of odor, color, volatile components, and chemical constituents like ligustilide and senkyunolides, with correlations to altitude. The data was authored by Jialing Zhang and last updated on April 30, 2026.
A research document details the investigation of Qufengxuanfei Decoction's mechanism for treating chronic cough. The study identified 207 intersecting drug-disease targets and validated findings through molecular docking and animal experiments on guinea pigs. The 38.7 KB DOCX file was authored by Zhilin Liu and last updated on 2026-04-30.
Experimental synthesis data for carborane-containing esters of natural l-amino acids. The dataset, authored by Xiao-Yu Wang and last updated in April 2026, details the construction of carborane cages using alkyne-insertion reactions. It includes total yields for various products and comparative analysis of 11B NMR spectra to identify optimal reaction conditions.
An in-silico investigation of spectral, physicochemical, biological, and toxicological properties for two Nonsteroidal Anti-inflammatory drugs (NSAIDs) and their major degradants. The dataset, created by Protyoi Chakraborty and last updated in May 2026, includes results from density functional theory calculations, molecular docking, MD simulation, and ADMET/PASS predictions. The study highlights toxicological impacts such as carcinogenic, nephrotoxic, and hematotoxic properties for several degradants.