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Dataset results
535 results for “NMR,”
Towards resolving the complex paramagnetic NMR spectrum of small laccase: Assignments of resonances to residue specific nuclei
<p>NMR dataset as TopSpin (Bruker Corporation) files for the article titled "Towards resolving the complex paramagnetic NMR spectrum of small laccase: Assignments of resonances to residue specific nuclei" (https://doi.org/10.5194/mr-2020-31).</p>
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 70 wt% C12E5, T=298K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 70 wt% C12E5, T=320K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 70 wt% C12E5, T=333K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 60 wt% C12E5, T=333K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 60 wt% C12E5, T=320K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 13C-1H solid-state NMR and molecular dynamics simulations"
<p>Simulation trajectories for the article "Molecular conformation and bilayer pores in a nonionic surfactant lamellar phase studies with 1H-13C solid-state NMR and molecular dynamics simulations" Langmuir 2014, 30 (2), pp 461–469 http://dx.doi.org/10.1021/la404684r</p> <p>System: 60 wt% C12E5, T=298K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
RNA-NMR-Decoys
<p>Atomistic decoy sets for RNAs in PDB that were solved using NMR, and for which NMR chemical shift data is available.</p> <p>Decoy sets consist of: <br> - structures in the corresponding NMR bundle<br> - structures generated using FARFAR<br> - structures extracted from MD simulations (simulations were initiated from the first model in the corresponding NMR bundle)</p> <p>Contained in each folder are:<br> - coordinates/ - coordinate files of decoys in PDB format (compressed with .gzip)<br> - chemical_shifts.txt - NMR chemical shifts<br> - struct.txt - structural comparison info for decoys relative to the solve NMR structures</p> <p>Coordinate files can be decompressed using by executing: ./decompress-coordinates.sh<br> </p>
19F NMR chemical shift and linewidth data of β-arrestin-1
Open the record for dataset details and reuse information.
Solid-state $^{13}$C-NMR spectroscopic determination of sidechain mobilities in zirconium-based metal-organic frameworks
<p>This Dataset contains the raw data contained in the figures of our journal article in <i>Magnetic Resonance</i>: <a href="https://doi.org/10.5194/mr-2023-13">https://doi.org/10.5194/mr-2023-13</a>.</p>
MATLAB scripts and raw experimental data for the paper "Optimizing measurements of linear changes of NMR signal parameters" by Javier Agustin Romero, Krzysztof Kazimierczuk and Paweł Kasprzak
<p>Classical_fit.m - Comparison of simulation results and theoretical predictions for the linear fit of the resonance frequencies. </p> <p>Radon_transform - the same, but using Radon transform to determine linear coefficients.</p> <p>Amplitude.m - Comparison of errors of the linear coefficients for varying amplitude fit in simulations and theory.</p> <p>process_measurements.m - script to process experimental data (caffeine peak at 7.90 ppm). The data are stored in real.mat and imag.mat</p> <p>For the details of theoretical formulas, see the paper "Optimizing measurements of linear changes of NMR signal parameters" by Javier Agustin Romero, Krzysztof Kazimierczuk, and Paweł Kasprzak. The scripts were used to generate Figures in the paper.</p>
Real-time influence of intracellular acidification and Na+/H+ exchanger inhibition on in-cell pyruvate metabolism in the perfused mouse heart: A 31P-NMR and hyperpolarized 13C-NMR study
<p>This dataset contains primary data for DOI: 10.1002/nbm.4993</p> <p>NMR in Biomedicine. 2023; 10;e4993</p> <p>Title: Real-time influence of intracellular acidification and Na+/H+ exchanger inhibition on in-cell pyruvate metabolism in the perfused mouse heart: A 31P-NMR and hyperpolarized 13C-NMR study</p> <p>Authors: David Shaul, Naama Lev-Cohain, Gal Sapir, Jacob Sosna, J. Moshe Gomori, Leo Joskowicz, Rachel Katz-Brull</p> <p> </p> <p>Description:</p> <p>These primary datasets contains data presented in the above publication and consist of 31P- (at thermal equilibrium) and hyperpolarized 13C-NMR spectra. </p> <p>Please consult the Archive Guide.</p>
Data on the soybean infiltration process utilizing LF-NMR
<div> <div> <div> <p>This paper employs low-field nuclear magnetic resonance (LF-NMR) technology to meticulously analyze and explore the intricate soybean infiltration process. The methodology involves immersing soybeans in distilled water, with periodic implementation of Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence experiments conducted at intervals of 20 to 30 minutes to determine the relaxation time T<sub>2</sub>. Currently, magnetic resonance imaging (MRI) is conducted every 30 minutes. The analysis uncovers the existence of three distinct water phases during the soybean infiltration process: bound water denoted as T<sub>21</sub>, sub-bound water represented by T<sub>22,</sub> and free water indicated as T<sub>23</sub>. The evolution of these phases unfolds as follows: bound water T<sub>21</sub> displays a steady oscillation within the timeframe of 0 to 400 minutes; sub-bound water T<sub>22</sub> and free water T<sub>23</sub> exhibit a progressive pattern characterized by a rise-stable-rise trajectory. Upon scrutinizing the magnetic resonance images, it is discerned that the soybean infiltration commences at a gradual pace from the seed umbilicus. The employment of LF-NMR technology contributes significantly by affording an expeditious, non-destructive, and dynamic vantage point to observe the intricate motion of water migration during soybean infiltration. This dynamic insight into the movement of water elucidates the intricate mass transfer pathway within the soybean-water system, thus furnishing a robust scientific foundation for the optimization of processing techniques.</p> </div> </div> </div>
nmr spectra for paper
<p><a href="https://www.nmrium.org/nmrium#?toc=https%3A%2F%2Fzenodo.org%2Frecords%2F10403692%2Ffiles%2FManuscript.json">https://www.nmrium.org/nmrium#?toc=https%3A%2F%2Fzenodo.org%2Frecords%2F10403692%2Ffiles%2FManuscript.json</a></p> <p><a href="https://www.nmrium.org/nmrium#?toc=https%3A%2F%2Fzenodo.org%2Frecords%2F10403692%2Ffiles%2FSupporting_Info.json">https://www.nmrium.org/nmrium#?toc=https%3A%2F%2Fzenodo.org%2Frecords%2F10403692%2Ffiles%2FSupporting_Info.json</a></p>
1H NMR Data of Commercial Honey Analysed by 400 and 700 MHz Spectrometers
<p>Datasets (*.xlsx) contain the 1H NMR Raw (.fid) and Binning data (.xlsx) of commercial honey analysed using 400 MHz and 700 MHz NMR spectrometers</p>
Cyclisation Modes in Anilides of N-Protected 3-Oxo-4-phenylaminobutyric Acid Under Knorr Conditions - NMR Data
<p>This archive contains raw 1H/13C FIDs and associated data in Bruker-specific format that can be viewed with Bruker’s TopSpin or other appropriate NMR processing software. The subfolders are named in accordance with the compound numbering in the associated research paper (Cyclisation Modes in Anilides of N-Protected 3-Oxo-4-phenylaminobutyric Acid Under Knorr Conditions).</p> <p>Correspondence: angelov@uni-plovdiv.bg</p>
NMR data for "Application of a Hydrophobic Polyglutamate Bearing a Triphenylphosphine Group for the Orientation of Pharmaceutically Active Compounds and the Measurement of Residual Dipolar Couplings"
<p>NMR raw data for the work titled:</p> <p>"Application of a Hydrophobic Polyglutamate Bearing a Triphenylphosphine Group for the Orientation of Pharmaceutically Active Compounds and the Measurement of Residual Dipolar Couplings"</p> <p>The archive consists of NMR spectra of all compounds synthesized and the NMR spectra used for the determination of RDCs (isotropic and anisotropic).</p>
Raw NMR and GC reports for the article Electrochemical Hydrogenation of Alkenes over a Nickel Foam Guided by Life Cycle, Safety and Toxicological Assessments, Green Chemistry, doi: https://doi.org/10.1039/D4GC02924K
<p>Raw NMR for the article Electrochemical Hydrogenation of Alkenes over a Nickel Foam Guided by Life Cycle, Safety and Toxicological Assessments, Green Chemistry, doi: https://doi.org/10.1039/D4GC02924K</p> <p>The raw NMR data files for all compounds reported in the article are included. The numbering corresponds to those in the article.</p> <p>Each parent folder contains subfolders with different files. In order to process this data, the full parent folder must be dragged into either Mestrenova or Topspin and then the data is automatically processed. If the name of the raw data files are renamed, the software (<a href="https://mestrelab.com/" target="_blank" rel="noopener noreferrer">Mestrenova</a> or <a href="https://www.bruker.com/en/products-and-solutions/mr/nmr-software/topspin.html" target="_blank" rel="noopener noreferrer">Topspin</a>) will not be able to process the files</p> <p> </p>
Raw NMR FID data of sesquiterpenes from co-culture of Phellinus orientoasiaticus and Xylodon flaviporus
<p>This is a NMR FID data of sesquiterpenoids isolated from co-culture of Phellinus orientoasiaticus and Xylodon flaviporus.</p> <p>Isolation and structural elucidation of these compounds will be reported in the article titled "Cyclohumulanoid Sesquiterpenes Induced by the Non-competitive Co-culture of Two Basidiomycetous Fungi, <em>Phellinus orientoasiaticus</em> and <em>Xylodon flaviporus</em>", which is currently under review.</p>
Fine-tuning of predictive microbiology models through microlocal characterization of foods by Nuclear Magnetic Resonance (NMR)
<p>Fine-tuning of predictive microbiology models through microlocal characterization of foods by Nuclear Magnetic Resonance (NMR)</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
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.