Loading...
Loading...
Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,028 datasets
JARVIS-DFT 3D dataset contains properties for 3D materials calculated using density functional theory. The dataset is 1.4 GB in size and is stored in JSON format. It was authored by Kamal Choudhary and last updated on May 9, 2026.
Spatial, environmental, morphological, and phytochemical profiles of secondary metabolites extracted from mesquite pods (Neltuma spp.) in semiarid regions of Mexico. The dataset, published in the journal Ecologies, is provided as a 6.4 KB CSV file. It was authored by Alfredo Esparza-Orozco and last updated in May 2026.
A method developed in 2026 enables screening 300 samples per day using the Orbitrap Astral mass spectrometer. The dataset, created by Hanfeng Lin and shared on figshare, contains results identifying nearly 8000 protein groups from a single cell line with high reproducibility. It includes quantitation accuracy validation from multi-species mixture experiments and dose-response studies of degraders like pomalidomide.
Seven novel compounds called SDIPTACs were designed to inhibit HIV-1 replication by inducing artificial dimerization of the DCAF1 protein. Biophysical data and crystal structures for four DCAF1-SDIPTAC-DCAF1 ternary complexes are included, revealing details on complex stability and conformation. The dataset, authored by Mark F. Mabanglo and shared on figshare in May 2026, supports the development of therapeutics for HIV and other diseases.
A 56.2 KB DOCX file authored by Mustapha A. Raji and last updated on 2026-05 03. The document describes experimental results on the selective extraction of Cerium(IV) from a synthetic light lanthanoid nitrate solution using di-(2-ethylhexyl) phosphoric acid as a carrier in a hollow fiber liquid membrane system. It examines parameters like comparative extraction tests, stripping, and mass transfer rates, reporting a mass transfer rate for Ce of 3.00 ± 0.1 × 10^6 m/s.
5.7 GB of data from a case report describing two siblings with hypertrophic cardiomyopathy caused by novel compound heterozygous mutations in the KLHL24 gene. The dataset includes clinical evaluations, genetic testing results, and associated files in formats like PDF, XLSX, and PNG. It was authored by Yingnan Liao and last updated on April 23, 2026.
A 62.4 KB dataset from figshare examines the air and water stability of heavier tetrylenes synthesized using a specific precursor. Sergio García-Vega published this research on 2026-05-18, which includes DFT calculations and preliminary coordination studies with iridium, gold, and silver complexes. The analysis shows these compounds undergo hydrolysis at room temperature, with stability varying significantly between germanium and tin derivatives.
Method 3, combining anticoagulants and protease inhibitors with a 10 kDa filtration step, achieved the highest peptide identification rates in a study of American lobster and blue crab hemolymph. Tina C. Dang published this dataset on figshare in 2026, detailing workflows for recovering endogenous peptides. The data includes identifications of antimicrobial peptides and neuropeptides, including novel putative sequences.
Riccardo Scarin published a dataset on figshare in May 2026 describing small-molecule pharmacological chaperones for the human fumarylacetoacetate hydrolase (FAH) protein. The data likely contains results from an integrated workflow including X-ray structures, NMR, isothermal titration calorimetry, DOSY-NMR, circular dichroism, and activity assays. The compounds were validated in CRISPR-engineered cellular models and a mouse model of hereditary tyrosinemia type 1.
561 compounds were identified via gas chromatography–mass spectrometry (GC–MS) from six traditional rice varieties. The dataset includes results from network analysis, ADMET prediction, and virtual screening against the PPARγ protein, identifying oleic acid as a promising compound. Authored by Saranya Nallusamy and last updated on 2026-05-05, the data is shared under a CC-BY-4.0 license.
Saranya Nallusamy's research dataset contains GC-MS metabolomic profiling of six traditional rice varieties, identifying 561 compounds. The data includes results from network analysis, ADMET prediction, and virtual screening against the PPARγ receptor, identifying oleic acid as a promising compound. The dataset was last updated on 2026-05-05.
A 4.5 MB dataset from figshare, authored by Renshan Liang and last updated in May 2026, under a CC-BY-4.0 license. It contains experimental data investigating the role of the lipid peroxidation product 4-HNE in diabetic cardiomyopathy. The study identifies 4-HNE binding to the VCP protein and explores the protective effects of metformin in both in vitro cardiomyocyte models and in vivo diabetic mouse models.
A study by Xiaotong Liang, uploaded on 2026-04-22, presents a sustainable method for synthesizing quinazolinones. The work details the synthesis and characterization of a novel magnetic palladium catalyst and its performance in multicomponent reactions. The dataset is a 10.2 MB DOCX file containing the experimental results and analysis.
Mass spectrometry data from experiments on recombinant Plasmodium falciparum cardiolipin synthase (PfCls). The dataset was created by Karavadra Asha Adhur and last updated on May 11, 2026. It supports research into mitochondrial function and phospholipid synthesis in malaria parasites.
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 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 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.