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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,320 datasets
Four formulations (F1–F4) of spray-dried arabinoxylan microspheres loaded with prednisolone were characterized for drug loading, entrapment efficiency, and dissolution. Drug loading ranged from 3.7% to 15.63% w/w, and the best formulations (F3 and F4) achieved over 72% drug dissolution within 60 minutes. The dataset was created by Muniyandy Saravanan and last updated in April 2026.
A 3.7 KB CSV file from figshare, authored by Dean P. Phillips and last updated in May 2026. The dataset likely contains data related to the discovery and preclinical validation of high-affinity macrocyclic inhibitors targeting KRAS G12D and G12V mutations. It describes a lead compound with strong binding affinity, inhibition of phospho-ERK in mutant cell lines, and tumor regression in mouse models.
Rajkumar S. Kalra published a proteomic dataset on figshare in May 2026. The data supports research into age-related immune decline by identifying pyruvate dehydrogenase kinase 1 (PDHK1) as downregulated in aged mouse T cells. The dataset is 2.3 MB and available under a CC-BY-4.0 license.
Proteomic analysis identified pyruvate dehydrogenase kinase 1 (PDHK1) as significantly downregulated in aged murine T cells. The 915.0 KB dataset, published by Rajkumar S. Kalra under CC-BY-4.0, supports findings that PDHK1 loss impairs glycolysis and T cell receptor responses. Data last updated on 2026-05-11.
Rajkumar S. Kalra published a dataset on figshare in 2026 analyzing the molecular basis of impaired T cell responses in aging. The data likely contains proteomic measurements from murine T cells, identifying pyruvate dehydrogenase kinase 1 (PDHK1) as significantly downregulated in aged cells. The dataset is 827.7 KB in size and is available under a CC-BY-4.0 license.
Rajkumar S. Kalra published a dataset on figshare in 2026 analyzing the molecular basis of impaired T cell responses in aging. The data likely contains proteomic measurements from murine T cells, identifying pyruvate dehydrogenase kinase 1 (PDHK1) as significantly downregulated in aged cells. The dataset is 827.7 KB in size and is available under a CC-BY-4.0 license.
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.
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.
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.
CHARMM36 POPC pure bilayer simulation provides a 300-nanosecond trajectory of a lipid membrane system at 300 Kelvin and 1 bar pressure. The data, created by Chris Papadopoulos of the Centre National de la Recherche Scientifique, contains the full simulation from 0 to 300 ns, sampled every 100 picoseconds and centered on phosphorus atoms. This bilayer was specifically used to calculate order parameters and area per lipid for the NMRlipids project.
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%.
Emma Schymanski from the University of Luxembourg provides supplementary files for a PubChemLite evaluation. The dataset is associated with a research paper in preparation. It is available under an Open Access (green) license.
250 POPC and 50 POPS lipids were simulated with 1M CaCl2 using Gromacs and the CHARMM36 force field. The simulation was run at 1 atmosphere and 298 Kelvin for 200 nanoseconds, containing 73,964 atoms. This dataset was produced by Jesper J. Madsen at the University of Chicago as part of the NMRLipids IV project.
NMRLipids IV project molecular dynamics simulations of a mixed lipid bilayer system. The dataset contains trajectories for a system of 250 POPC and 50 POPS lipids with calcium chloride, simulated for 200 nanoseconds at 298 Kelvin and 1 atmosphere using Gromacs and the CHARMM36 force field. The data was contributed by Jesper J. Madsen of the University of Chicago.
200 nanoseconds of molecular dynamics simulation data for a mixed lipid bilayer system. The dataset contains trajectories for 150 POPC and 150 POPS lipids, totaling 71,655 atoms, simulated using Gromacs and the CHARMM36 force field. It was produced by Jesper J. Madsen at the University of Chicago as part of the NMRLipids IV project.