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Organic/inorganic chemistry, analytical chemistry, electrochemistry, molecular properties, chemical reactions
2,033 datasets
Experimental data evaluates bimetallic Ni-M catalysts supported on mesostructured CeO2 for hydrogen production via oxidative steam reforming of acetic acid. The dataset, authored by Alvaro Moreno de la Calle and harvested from e-cienciaDatos, was last updated in October 2025. Catalytic performance metrics include acetic acid conversion, hydrogen yield, and coke deposition at 550°C.
A study by MEGIA, Pedro J. from e-cienciaDatos Harvested Dataverse, published on 2025-10-14, investigates the effect of rhodium addition to nickel and cobalt catalysts on CeO2 supports for acetic acid oxidative steam reforming. The dataset likely contains experimental results on catalyst characterization, acetic acid conversion, hydrogen yield, and stability over time-on-stream. Performance metrics for Co-based and Ni-based catalysts are compared at temperatures over 500 ºC and at higher weight-hour space velocities.
QSAR data from OpenML provides molecular descriptors and activity labels for chemical compounds. The dataset is used for modeling the relationship between chemical structure and biological activity. Specific details on size, author, and update date are not provided in the input metadata.
A quantitative structure-activity relationship dataset for predicting chemical toxicity, featuring molecular descriptors. It is hosted on OpenML and categorized for QSAR and toxicology applications. The original creator and specific temporal coverage are not provided.
This dataset supports research on predicting Staphylococcus aureus spa types using MALDI-TOF mass spectrometry and machine learning. It is associated with an article in preparation for submission and includes datasets and R scripts. The dataset originates from research in Canada, focusing on dairy cattle and mastitis.
13.5 million DFT calculation trajectories model approximately 5,000 materials and 47,000 intermediate-catalyst systems. The dataset provides high-fidelity data for developing machine learning potentials in heterogeneous catalysis, created by SandboxAQ and released in October 2025.
A dataset from e-cienciaDatos Harvested Dataverse contains catalytic performance data for enantiopure zinc-scorpionate complexes. It includes results for ring-opening polymerization of rac-lactide, CO2 fixation into cyclic carbonates, and synthesis of polycarbonates, along with selected structural bond lengths and angles. Author Marta Navarro last updated the dataset on 2025-10-14.
Experimental results on Ni-Cr/SBA-15 catalysts for bioethanol steam reforming. It examines the influence of metal loading and Ni/Cr ratio on ethanol conversion and hydrogen production.
Catalytic performance data for nickel-based catalysts on mesostructured supports during oxidative steam reforming of acetic acid, a bio-oil model compound. The dataset includes results for Ni/SBA-15, Ni/CeO2-m, and La2O3-promoted variants, measuring conversion, hydrogen yield, and coke formation. The data was harvested from e-cienciaDatos and last updated on October 14, 2025.
2025 research presents a method for differentiating and quantifying trace-level isobaric cannabinoids THC and CBD using copper cationization with paper spray mass spectrometry. The study employed computational chemistry and design of experiment strategies to optimize the analytical technique, achieving detection limits below 2 ng/mL for both cannabinoids in saliva matrices. The dataset supports the findings of the published paper by author Jindar Sboto.
A dataset quantifying the bioactive glycoalkaloids α-solanine and α-chaconine in potato peel waste. The data was generated using an optimized ultrasound-assisted extraction and HPLC-DAD method, validated and applied to 15 commercial potato varieties. The dataset was created by Martínez García, Isabel and last updated on 2025-10-14.
Gema Casado-Hidalgo's dataset, harvested by e-cienciaDatos and last updated on October 14, 2025, documents the fermentation and storage of poppy seed kefir. It likely contains tabular data tracking pH, microbial viability, sugar and acid concentrations, and opium alkaloid levels across four sample conditions over multiple time points. The data appears to be derived from a controlled laboratory experiment.
Supplementary raw data for a 2025 study published in Angewandte Chemie (doi:10.1002/anie.202506536). The dataset contains characterization data for compounds from the first reported example of an 'off-pathway' [2+2] cycloaddition-retroelectrocyclization reaction between tetracyanoquinodimethane (TCNQ) and an aniline-activated alkyne. The data was contributed by Oscar Fernandez Vera and harvested via the e-cienciaDatos Dataverse repository.
A dataset from e-cienciaDatos Harvested Dataverse, authored by Ávila Vivas, María Inés and last updated on 2025-10-14. It describes experimental results from the catalytic pyrolysis of lignin using synthesized hierarchical H-ZSM-5 and H-Beta zeolites ion-exchanged with alkali and alkaline-earth metals. The data likely contains measurements related to product yields and selectivity for high-value phenolic compounds.
Raw data files from a study on the selective ortho-borylation of perylene derivatives. The dataset contains PDFs of High-Resolution Mass Spectrometry measurements and original files from UV-Vis absorption and fluorescence apparatus. The work was authored by Sánchez-Fernández, David and last updated on October 14, 2025.
Analytical results from a study evaluating the effect of brewing time and temperature on tropane alkaloid content in teas and herbal infusions. The database includes recovery percentages, concentrations in naturally contaminated samples, and the effect of heating on standard solutions. Lorena González Gómez authored the dataset, which was last updated on October 14, 2025.
Replication data from a 2025 study comparing Fusarium head blight resistance components in winter wheat. The research examines relationships between deoxynivalenol content, Fusarium damaged kernels, and FHB index across two recombinant inbred line populations. It also compares two methods for estimating mycotoxin content in grain samples.
Results from the UPGRES project's research on chemically activated hydrochars as catalysts. The data includes catalyst characterization, wet air oxidation reactions, and anaerobic digestion outcomes for treating hydrothermal carbonization liquor. Author Mª Isabel Pariente published this dataset via e-cienciaDatos Harvested Dataverse, last updated on October 14, 2025.
Experimental data acquired for voltage and current intensity to represent polarization curves of a high-temperature polymer electrolyte fuel cell, varying the Pt/C ratio of the cathode catalyst and the Pt loading for each catalyst studied. Data also includes real and imaginary impedance measurements for Nyquist plots. The dataset was authored by Santiago Martín Fernández and last updated on October 14, 2025.
NMR data supporting a manuscript on fluorine-19 research, submitted in August 2025. The dataset was authored by David Hoffman and published via the Texas Data Repository on the Dataverse platform, with a last update recorded on October 21, 2025. The specific content and scale of the data are not detailed in the available metadata.