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294 results for “inorganic”
Crystal structure of the tandem kinase & triphosphate tunnel metalloenzyme domain module of the TTM1 protein from Arabidoposis thaliana in complex with inorganic phosphate and citric acid - 3lambda SeMAD dataset
<p>bzip2ed tar archive containing the diffraction images (Pilatus 2M-F detector, SLS beamline PXIII, collected on 19.12.2016) for 3 wavelength Se MAD experiment (infl, inflection point, peak, peak, rem, high energy remote) and the associated data processing files (xds_inf, xds_peak, xds_rem) </p>
Crystal structure of the tandem kinase & triphosphate tunnel metalloenzyme domain module of the TTM1 protein from Arabidoposis thaliana in complex with inorganic phosphate and citric acid - native dataset
<p>bzip2ed tar archive containing the diffraction images (Pilatus 2M-F detector, SLS beamline PXIII, collected on 19.12.2016) and the associated data processing files (xds) </p>
X-ray radiation damage cycle of solvated inorganic ions
<p>Data set pertaining to the manuscript "X-ray radiation damage cycle of solvated inorganic ions", accepted for publication at Nature Communication.</p> <p>The manuscript describes results on the low-energy electron emission in a cascade of the decay of core ionized states, explored experimentally by liquid jet multi-electron coincidence spectra compared to theoretical predictions. Here we provide the underlying experimental data including metadata.</p> <p>Files with extension .h5 are hdf5-files structured according to the NeXus standard v2024.02, see<br>https://www.nexusformat.org/<br>https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html<br>NeXus data files can be opened with any software capable of opening hdf5-structured files. The following viewers are adapted to the specifics of the NeXus data format:<br>* nexpy (distributed with python)<br>* https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium)<br>Additionally, some properties of our liquid jet sample environment are described by extensions to standard NeXus explained in a notes-section in each file.</p> <p> </p> <p>In each NeXus file-entry, two types of data are present:<br>1. An energy-calibrated single electron spectra as histogram of the single electron events in events/eV ('data').<br>2. Energy-calibrated single, double and triple electron events ('raw').</p> <p> </p> <p>The following files are provided: Electron emission coincidence data pertaining to Mg<sup>2+</sup> and Al<sup>3+</sup> measurements mg_ee_coinc.h5 (Mg<sup>2+</sup> data recorded at BESSY II) mg_petra_ee_coinc.h5 (Mg<sup>2+</sup> data recorded at PETRA III) al_ee_coinc.h5 (Al<sup>3+</sup> data recorded at PETRA III)</p> <p> </p> <p>Contact: Dana Bloß (dana.bloss@uni-kassel.de) Andreas Hans (hans@physik.uni-kassel.de) </p> <p> </p> <p> </p> <p> </p>
Data for "Probe molecular diffusivity in single ternary inorganic-organic microdroplets via interfacial ozonolysis of thiosulfate"
<p>ExpXX_YTZS/G.xlsx: Integrated Raman intensity time profiles of thiosulfate for Expt. XX</p> <p>Raman_spectra_ExpXX.xlsx: Raman spectra before and after thiosulfate depletion via O3 for Expt. XX</p>
Behaviour of dissolved inorganic salts in the cooling water of a nuclear power plant open recirculation system and formation of water discharge
<p>The main problem in the operation of nuclear power plants is the scale formation of mineral impurities in an open recirculating system. However, water discharge from an open recirculating system into water bodies can lead to changes in the chemical equilibrium of wastewater components and requires constant monitoring. The purpose of this study was to analyse the behaviour of dissolved inorganic salts in water in an open recirculating system during water treatment using the example of the Rivne Nuclear Power Plant. Moreover, the analysis impact of their discharge with return water in the Styr River. The dissolved inorganic salt concentration has a significant impact on the efficiency of the system and the environment of an open recirculating system power plant. Altogether, each dissolved inorganic salt component was analysed separately using standard measurement methods, using statistical methods of data processing, and correlation analysis. In addition, the annual discharge of the dissolved inorganic salts components was calculated and the amount of discharge was assessed for compliance with the maximum discharge limit. Thus, the influence of the formation of the dissolved inorganic salts and changes in their concentration value during the discharge of returned water into a natural water body was analysed.</p>
Research data supporting "Bioinspired fabrication of DNA-inorganic hybrid composites using synthetic DNA"
<p>Raw data supporting the publication:</p> <p>Kim E., et al., "Bio-inspired fabrication of DNA-inorganic hybrid composites using synthetic DNA.", ACS Nano, 2019, DOI: 10.1020/acsnano.8b06492.</p>
Inorganic Arsenic Exposure Induces Sex Disparate Effects and Exacerbates Ischemia-Reperfusion Injury in the Female Heart
<p>Supplemental Tables S1-S3. <em>Echocardiographic parameters for male and female hearts, pre- and post-iAS exposure to 0 ppb (control), 10 ppb, 100 ppb or 1000 ppb iAS for four weeks.</em></p>
Research data supporting "Rolling Circle Transcription-Amplified Hierarchically Structured Organic-Inorganic Hybrid RNA Flowers for Enzyme Immobilization""
<p>Raw research data supporting the publication:</p> <p>Wang Y. et al., 2019, ACS Applied Materials and Interfaces, DOI: 10.1021/acsami.9b04663</p>
Reactive Passivation of Wide-Bandgap Organic–Inorganic Perovskites with Benzylamine
<p>NMR data for "Reactive Passivation of Wide-Bandgap Organic–Inorganic Perovskites with Benzylamine"- JACS, 2024, 10.1021/jacs.4c06659</p>
Dataset - Effect of Organic or Inorganic Fertilization on Microbial Flocs Production in Integrated Cultivation of Ulva lactuca with Oreochromis niloticus and Penaeus vannamei
<p>Dataset with experimental results</p>
Theoretical Design and Synthesis of Metal-Inorganic Frameworks Using Host Atom-Centered Building Blocks for Efficient Catalysis with Diverse Reactive Sites
<p><strong>ML_ABN</strong> is a necessary file for training machine learning potentials using VASP. It contains the structural details and energies of the training set. <strong>ML_FFN</strong> is the force field file obtained after training. <strong>Test_DataSet.zip</strong> contains the test set with 900 structures, and <strong>Test_DataSet_Energy.xlsx</strong> stores the energies of these structures after being evaluated by DFT.</p>
Mechanical behaviour of inorganic solid-state batteries: Can we model the ionic mobility in the electrolyte with Nernst-Einstein's relation?
<p>(Top left) Governing forces given by Nernst-Einstein’s relationship, where the forward electric force is in a dynamic equilibrium with the backward viscous force. (Bottom left) The dynamic viscosity is a measure of the fluid resistance to flow. (Right) For brittle inorganic solid electrolytes characterised by cracks formation and electrolyte fracture, the stress-strain relationship before the electrolyte fracture can be approximated as linear.</p>
Gradients 3 KM1906 Organic and Inorganic Nutrients
<p>"This dataset is from the Gradients 3 cruise (KM1906) conducted April 10- April 29, 2019 in the North Pacific Ocean. CTD/rosette profiles were taken down to 1000 meters and samples were collected from niskin bottles attached to the CTD." "All organic and inorganic nutrients are analyzed in unfiltered seawater that was sampled aboard into HDPE or polypropylene bottles and immediately frozen. Silicate, phosphate and nitrate+nitrite are determined colormetrically on a SEAL Analytical Autoanalyzer (AA3 with HR detectors), with the exception of nitrate+nitrite that is <0.5umol/L, which is analyzed by chemiluminescence. Total phosphorus (TP) and total nitrogen (TN) are determined by analysis of phosphate and nitrate, respectively, after oxidation by high-intensity ultraviolet light. Total organic phosphorus and total organic nitrogen are determined by subtracting background PO4 and NO3+NO2 from TP and TN, respectively. Total organic carbon is determined by combustion on a Shimadzu TOC-V analyzer."</p> <p>This description was reproduced using the following sources:</p> <p>https://simonscmap.com/catalog/datasets/KM1906_Gradients3</p> <p>https://simonscmap.com/catalog/datasets/MGL1704_Gradients2_Nutrients</p>
Dataset for Determination of Inorganic Impurities and Ash Content from Biofuels
<p>The complete data set that was the basis of the article:</p> <p>Stratulat, C.; Ginghina, R.E.; Bratu, A.E.; Isleyen, A.; Tunc, M.; Hafner-Vuk, K.; Frey, A.M.; Kjeldsen, H.; Vogl, J. Development- and Validation-Improved Metrological Methods for the Determination of Inorganic Impurities and Ash Content from Biofuels. <em>Energies</em> <strong>2023</strong>, <em>16</em>, 5221. https://doi.org/10.3390/en16135221</p>
Spatial and temporal variation in toxicity and inorganic composition of hydraulic fracturing flowback and produced water
<p>Hydraulic fracturing for oil and gas extraction produces large volumes of wastewater, termed flowback and produced water (FPW), that are highly saline and contain a variety of organic and inorganic contaminants. In the present study, FPW samples from ten hydraulically fractured wells, across two geologic formations were collected at various timepoints. Samples were analyzed to determine spatial and temporal variation in their inorganic composition. Results indicate that FPW composition varied both between formations and within a single formation, with large compositional changes occurring over short distances. Temporally, all wells showed a time-dependent increase in inorganic elements, with total dissolved solids increasing by up to 200,000 mg/L over time, primarily due to elements associated with salinity (Cl, Na, Ca, Mg, K). Toxicological analysis of a subset of the FPW samples showed median lethal concentrations (LC<sub>50</sub>) of FPW to the aquatic invertebrate <em>Daphnia magna</em> were highly variable, with the LC<sub>50</sub> values ranging from 1.16% to 13.7% FPW. Acute toxicity of FPW significantly correlated with salinity, indicating salinity is a primary driver of FPW toxicity, however organic components also contributed to toxicity. This study provides insight into spatiotemporal variability of FPW composition and illustrates the difficulty in predicting aquatic risk associated with FPW.</p>
Gradients 4 - TN397 - Inorganic and Organic Nutrients and Particulates
<p>These Simons Collaboration on Ocean Processes and Ecology (SCOPE) data products were produced by the University of Hawaiʻi at Mānoa with support from the Simons Foundation.</p> <p>This dataset was collected on the R/V Thompson during the Gradients 4 cruise which departed from San Diego, CA and ended in Honolulu, HI. A transect was performed on the 140 degree longitude line from roughly 16 degrees N to 4 degrees S before heading to Honolulu. All organic and inorganic nutrients are analyzed in unflitered seawater that is sampled aboard from the CTD rosette into HDPE or polypropylene bottles and immediately frozen. Silicate, phosphate and nitrate+nitrite are determined colormetrically on a SEAL Analytical Autoanalyzer (AA3 with HR detectors), with the exception of nitrate+nitrite that is <0.5umol/L, which is analyzed by chemiluminescence. Total dissolved phosphorus (TDP) and total dissolved nitrogen (TDN) are determined by analysis of phosphate and nitrate, respectively, after oxidation by high-intensity ultraviolet light. Dissolved organic phosphorus and dissolved organic nitrogen are determined by subtracting background PO4 and NO3+NO2+NH4 from TDP and TDN, respectively. Note, because samples are not filtered particulates may comprise a minor portion of totals. Time is in UTC. Details on the methods for particulates (PC, PN, PP, PATP) are available at: https://hahana.soest.hawaii.edu/hot/methods/results.html.</p>
Raw Data for: "Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances"
<p>This repository contains all the raw data to reproduce the manuscript:</p> <p>D. Schwalbe-Koda et al. "Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances". arXiv:2307.10935 (2023)</p> <p>The raw data should be used in combination with the code hosted on GitHub: <a href="https://github.com/dskoda/Zeolites-AMD">https://github.com/dskoda/Zeolites-AMD</a>.</p> <p><strong>Description of the data</strong></p> <p>The data in this link contains all necessary information to reproduce the manuscript. In combination with the code hosted on GitHub, it can be visualized and analyzed accordingly. The full description on the columns and results is available on the GitHub code.<br> The data files in this repository are:</p> <p>- `hparams_rnd_*.json`: results of the hyperparameter optimization of all classifiers studied in this work. The data was produced by randomly sampling the train-validation-test sets. In some cases, the data was normalized (`_norm_`), and the train set was kept `balanced` or `unbalanced`.<br> - `hyp_dm`: distance matrix of all hypothetical zeolites towards the known zeolites<br> - `hyp_predictions`: predictions of the synthesis conditions for all hypothetical zeolites<br> - `xgb_ensembles*`: pickle files containing the serialized ensemble models used in the evaluation of the data in this work. The models can be loaded with the `xgboost` Python package.</p> <p><strong>License</strong></p> <p>The data and all the content from this repository is distributed under the Creative Commons Attribution 4.0 (CC-BY 4.0)</p> <p>This work was produced under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.</p> <p>Dataset released as: LLNL-MI-854709.</p>
Inorganic Nitrite to Amplify the Benefits and Tolerability of Exercise Training in Heart Failure With Preserved Ejection Fraction (HFpEF) (INABLE-Training)
ClinicalTrials.gov study NCT02713126. IPD Sharing: NO. Countries: 1. Publications: 2.
Pharmacokinetics, Pharmacodynamics, and Impact of Inorganic Nitrate on Exercise in HFpEF
ClinicalTrials.gov study NCT02256345. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Acute Effects of Inorganic Nitrite on Cardiovascular Hemodynamics in Heart Failure With Preserved Ejection Fraction
ClinicalTrials.gov study NCT01932606. IPD Sharing: Not stated. Countries: 1. Publications: 2.
ScienceDex guides
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.