Loading...
Loading...
Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,029 datasets
Ecological compounds are essential components for completing the Dutch Ecological Main Structure (EHS). The dataset likely contains geospatial indicators of ecological traces and fillings, provided by the Dutch Ministry of the Interior and Kingdom Relations under a Creative Commons Public Domain Mark license. File formats include PNG images packaged in ZIP archives.
Diamondoid concentrations in Browse Basin oils, measured via GCxGC-TOFMS and CSIA, reveal a mixture of high-maturity gas and marine oil contributions in non-biodegraded fields. The study combines quantitative diamondoid analysis with biomarker and compound-specific isotope data to unravel complex hydrocarbon charge histories. Data was published by the Australian Ocean Data Network, with a record last updated in April 2026.
A 247-byte dataset details a metal-free photocatalyst designed to treat hypoxic tumors. Lidong Deng authored this work, which was last updated in April 2026. It contains experimental results on inducing cell death via NADPH photo-oxidation.
A library of symmetric and unsymmetric trimethine cyanine (Cy3) fluorophores was generated through a three-step synthetic strategy. The dataset includes compounds with absorption maxima between 550 and 590 nm and emission maxima between 560 and 650 nm, with some showing up to a 20-fold brightness enhancement in high-viscosity environments. Authored by Mohan Kodisana and last updated in April 2026, this work provides data for fine-tuning photophysical properties.
A dataset from figshare describes a catalytic paradigm for activating interior chemical bonds in nanoconfined space via dynamic molecular recognition. The research by Ye-Qiang Han, last updated in April 2026, involves quinuclidine and α-cyclodextrin, resulting in an endo-hydroxylated derivative capable of chiral separation in gas chromatography. The dataset is a 107.6 KB ZIP file shared under a CC-BY-NC-4.0 license.
A novel AI protocol identified three potential drug candidates for Parkinson's disease from a Traditional Chinese Medicine database. The work by Zhidong Chen used molecular docking to screen compounds against four key proteins and built 3D-QSAR models based on known inhibitor activities. Candidate compounds 2007_22057, 2007_22325, and 2007_15317 were selected after molecular dynamics simulation.
A collection of research data pairs experimental surface science techniques like scanning tunneling microscopy with computational density functional theory. The dataset, authored by Alnald Javier, focuses on elucidating the structure of molecules adsorbed on metal surfaces and studying CO2-reduction electrocatalysts. It includes references to studies on hydroquinone, benzene, sulfuric acid, and atomic hydrogen on Pd surfaces, as well as novel catalysts like Au-on-W and NiGa alloys.
Tax interest rates are published by the Government of Ontario's Ministry of Finance. The dataset contains historical rates, which are compounded daily and reset every three months. It was last updated on February 25, 2026.
A 64.5 KB collection of Density Functional Theory (DFT) files for the B-RuO2 material, published on figshare by Zhongliang Liu. The dataset was last updated on 2026-05-22 and is licensed under CC-BY-4.0. The specific computational parameters and results are contained within the VASP format files.
A 2026 computational study by Yiming Lin investigates ten distinct zinc-oxo and cadmium-oxo clusters ligated with five substituted benzoic acids. The dataset contains results from density functional theory (DFT) calculations on lithographic properties, including oscillator strengths and photoreaction pathways. It establishes quantitative structure-property relationships for designing safer, high-performance photoresist materials.
Muhammad Rafiq's dataset contains results from a systematic density functional theory (DFT) investigation of 3d-transition metal phthalocyanine sheets. The 16.4 KB dataset, published in 2026, screens a series of metals from Sc to Zn for their catalytic activity in hydrogen evolution, oxygen evolution, and oxygen reduction reactions. It includes stability analyses and supervised machine learning models for predicting catalyst efficiency.
Normalized protein abundances from MS/MS analysis of Hfq pulldowns under indicated conditions. The dataset was created by Jian Guan and last updated on April 27, 2026. It is a 101.0 KB XLSX file used to identify detected proteins for the accompanying analysis.
Passenger journeys on local bus services, provided by the Government Digital Service under the OGL-UK-3.0 license. The dataset is a CSV file from the eu_open_data platform, though specific temporal coverage and scale are not detailed in the available metadata.
A 2026 dataset by Yu Zhang on figshare presents lipidomic data generated using a high-throughput acoustic droplet ejection mass spectrometry (ADE-MS/MS) workflow. The data includes quantification of 731 lipid species from NIST SRM 1950 plasma, with over 1000 species across 14 subclasses quantified in the method. The workflow achieved a total run time of approximately five minutes per sample in a 384-well format.
Predicted physicochemical properties for investigational bioactive compounds, calculated using the Molinspiration web server. The dataset was authored by Courage Siame and is available as a 5.5 KB Excel file under a CC-BY-4.0 license. It was last updated on May 6, 2026.
Physicochemical properties of investigational compounds calculated using DataWarrior software. The dataset is 5.5 KB in size and was authored by Courage Siame. It was last updated on May 6, 2026.
Rh(III)-catalyzed C–H bond activation and spirocyclization of benzoxazines with CF3-imidoyl sulfoxonium ylides provides a direct avenue to structurally diverse trifluoromethyl-substituted spiroheterocycles. The dataset, authored by Qihua Chen and last updated in April 2026, describes a transformation involving a cascade C–H activation, tautomerization, and intramolecular nucleophilic addition pathway. A broad spectrum of spiroheterocycle molecules containing biologically important benzoxazine and isoquinoline skeletons are synthesized in up to 98% yields.
A 23.4 MB dataset from figshare, last updated in April 2026, documents Rh(III)-catalyzed C–H bond activation and [3+3] spirocyclization reactions. The work by Qihua Chen describes the synthesis of structurally diverse trifluoromethyl-substituted spiroheterocycles, including benzoxazine and isoquinoline skeletons, with yields up to 98%.
Qihua Chen's dataset on figshare details Rh(III)-catalyzed C–H bond activation and [3+3] spirocyclization reactions. The data describes a method for synthesizing a broad spectrum of trifluoromethyl-substituted spiroheterocycles, including benzoxazine and isoquinoline skeletons, with yields up to 98%. The dataset was last updated on April 3, 2026.
Hydrogen exchange data for four variants of the intrinsically disordered protein ACTR activation domain, differing in helical propensity. The dataset includes NMR-based exchange rates and pseudo-protection factors referenced to the wild-type protein. Created by I. Simina Cuciurean and published on figshare in April 2026.