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168 results for “NMR Data”
NMR Spectroscopic data for aspidoreticulofractine
<p>NMR Spectroscopic data for aspidoreticulofractine, isolated from Melodinus reticulatus (Apocynaceae)</p>
Coriander fruits different developmental stages NMR raw data
<p>Coriander fruits at different developmental stages NMR raw data</p>
NMR and HRMS data - Intermolecular Pummerer Coupling with Carbon Nucleophiles in Non-Electrophilic Media
<p>HRMS and NMR characterisation data for all the new compounds reported in the paper</p> <p><em><strong>Intermolecular Pummerer Coupling with Carbon Nucleophiles in Non-Electrophilic Media</strong></em></p> <p>Angew. Chem. Int. Ed. 2017, DOI: 10.1002/anie.201709715</p>
Labile Carbon Triggers Microbial Priming of Deep Peat Carbon Breakdown Unveiled by Coupled DNA SIP-Metabolomics : NMR raw data
<p>METHODS:</p> <p>180 µL of each DOM sample (two depths, 3 treatments (control, labeled glucose, unlabeled glucose,) and 6 times points (7, 14, 28, 42, 56, and 70 days); n=36) were combined with 2,2-dimethyl-2-silapentane- 5-sulfonate-d6 (DSS-d6) in D2O (20 µL, 5 mM) and thoroughly mixed prior to transfer to 3mm NMR tubes. NMR spectra were acquired on a Varian 600 MHz VNMRS spectrometer equipped with a 5-mm triple-resonance (HCN) cold probe at a regulated temperature of 298K. The 90° 1H pulse was calibrated prior to the measurement of each sample. The one-dimensional (1D) 1H spectra were acquired using a nuclear Overhauser effect spectroscopy (NOESY) pulse sequence with a spectral width of 12 ppm and 512 transients. The NOESY mixing time was 100ms, and the acquisition time was 4s, followed by a relaxation delay of 1.5s during which pre-saturation of the water signal was applied. Time-domain free induction decays (57,472 total points) were zero filled to 131,072 total points prior to Fourier transform. Chemical shifts were referenced to the 1H methyl signal in DSS-d6 at 0 ppm. The 1D 1H spectra were manually processed, assigned metabolite identification, and quantified using Chenomx NMR Suite 8.3. Metabolite identification was based on matching the chemical shift, J-coupling, and the intensity of experimental signals to compound signals in the Chenomx and custom in-house databases. Quantification was based on fitted metabolite signals relative to the internal standard (DSS-d6). Signal-to-noise ratios (S/N) were measured using MestReNova 14 with the limit of quantification equal to an S/N of 10 and the limit of detection equal to an S/N of 3. 13C labeling was assessed by 13C satellite analysis from the 1D spectra described above or from a 1D-(13C-edited) HSQC experiment. In several cases further corroboration of metabolite identity was made using standard 2-D experiments such as 1H / 13C - heteronuclear correlation (HSQC) experiments or 2-D 1H/ 1H Total Correlation spectroscopy (TOCSY).</p> <p> </p> <p>FUNDING:</p> <p>This research was supported by U.S. Department of Energy Office of Science, Office of Biological and Environmental Research (BER), grant no. DE-SC0023297.</p>
NMR data
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SiCO NMR-raw data
<p><em><span>Raw data of the <sup>13</sup>C and <sup>29</sup>Si NMR for the SiCO material with results published in ChemSusChem: “E. Šić, J. Rohrer, E. I. Ricohermoso, K. Albe, E. Ionescu, R. Riedel, H. Breitzke, T. Gutmann, G. Buntkowsky, ChemSusChem 2023, 16, e202202241.</span></em></p> <p><em><span><a href="https://simba-h2020.eu/">Homepage - SIMBA (simba-h2020.eu)</a></span></em></p>
SiCN NMR raw data
<p><em><span>Raw data for the ex-situ NMR data for NaF, SiCN (at both 7T and 14T) and in-situ NMR of Na | NaPF6 | SiCN) used for publication in Batteries & Supercaps: E. Šić, M. Melzi d'Eril, K. Schutjajew, M. J. Graczyk-Zajac, H. Breitzke, R. Riedel, M. Oschatz, T. Gutmann, G. Buntkowsky, Batteries & Supercaps 2022, 5, e202200066.</span></em></p> <p><em><span><a href="https://simba-h2020.eu/">Homepage - SIMBA (simba-h2020.eu)</a></span></em></p>
NMR Data - Densification of Sodium and Magnesium Aluminosilicate Glasses at Ambient Temperature
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Data for "Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T"
<p>NMR data and photo-CIDNP-enhanced NMR data for "Light-Induced 1H NMR Hyperpolarization in Solids at 9.4 and 21.1 T".</p> <p>All data are provided in Bruker format. </p>
Data for Hydrogen Diffusion in Hybrid Perovskites from Exchange NMR
<p>Supporting data for Hydrogen Diffusion in Hybrid Perovskites from Exchange NMR<br>https://doi.org/10.1021/acs.chemmater.4c01498</p> <p>Raw and processed 2H, 1H, and 15N NMR data for MAPbI3 and FA0.7MA0.3PbI3. In particular, variable temperature 2H EXSY spectra, and the measured 2H exchange rates as a function of temperature. MA = methylammonium, FA = formamidinium. </p> <p>See README.txt for full details</p>
Data for the "Systems NMR: simultaneous quantification of RNA, protein, and metabolite reaction dynamics for biomolecular network analysis."
<p>This dataset contains raw NMR data used in the publication.</p> <p>Detailed protocol for the presented NMR setup and analysis is included in the publication, and at https://github.com/systemsnmr/ivtnmr.</p> <p>v0.2 includes the integr_results_31P_pure_PO4.txt files - phosphate-spectra integration files which were missing in v0.1 submission.</p>
Supporting data for "Reengineering of a Carotenoid-binding Protein Based on NMR Structure"
<p>List of PDB codes used for MPNN benchmarking, parameters for AXT simulations, molecular dynamics trajectories and domain swapping predictions.</p>
NMR Data for 10.1007/s10719-024-10162-x
<p>NMR Data for </p> <p><span>doi: 10.1007/s10719-024-10162-x.</span></p> <p><span>Cloning, expression and characterisation of a novel mollusc </span>α<span>-1,2-Fucosyltransferase from Crassostrea gigas (CgFUT2)</span></p>
NMR spectroscopy data (600 and 950 MHz) of oxidised triolein, trilinolein, trilinolenin, rapeseed oil, and sunflower oil
<p>Dataset containing NMR (nuclear magnetic resonance) spectroscopy of oxidised triacylglycerides (triolein, trilinolein, and trilinolenin) and oils (rapeseed oil and sunflower oil). The dataset was used for the annotation of substructures observed in oxidised vegetable oil. It includes 1D proton, 1D selective proton, 2D (band-selective) HSQC, 2D (band-selective) HMBC, 2D TOCSY, 2D ROESY, 2D HSQC-TOCSY spectra.</p> <p>This dataset was used to develop a NMR-based oxylipidomics worksflow. We describe a workflow that can be used to study lipid oxidation mechanistically in a paper that can be found here: https://www.sciencedirect.com/science/article/abs/pii/S0963996924016831.</p> <p>The NMR data was acquired on two systems. A 950 MHz with cryoprobe from the NMR facility at Radboud University (Nijmegen, the Netherlands) and a 600 MHz from the MAGNEFY centre (Wageningen University, the Netherlands). </p>
Raw NMR FID Data for Iodide Enhanced the Production of Pseurotin D over Pseurotin A by Inverting the Preference of SN2 versus SN2′ Competition in the Last Non-Enzymatic Biosynthetic Step
<p>This is a NMR FID data for manuscript titled "Iodide Enhanced the Production of Pseurotin D over Pseurotin A by Inverting the Preference of SN2 versus SN2′ Competition in the Last Non-Enzymatic Biosynthetic Step", which is currently under review.</p>
Data for Speedy component resolution using spatially encoded diffusion NMR data
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Data for Pure Shift NMR in Continuous Flow
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NMR data: Dynamic nuclear polarization solid-state NMR spectroscopy as a tool to rapidly determine degree of modification in dialcohol cellulose
<p>Solid-state NMR data underlying figures and tables in the article: <span>Dynamic nuclear polarization solid-state NMR spectroscopy as a tool to rapidly determine degree of modification in dialcohol cellulose</span></p>
Primary NMR data: A Facile Approach to the Synthesis of 3-Acylisoxazole Derivatives by the Use of Reusable Solid Acid Catalysts
<p>This dataset is primary NMR data in the paper: A Facile Approach to the Synthesis of 3-Acylisoxazole Derivatives by the Use of Reusable Solid Acid Catalysts.</p>
Theory and simulations of homonuclear three-spin systems in rotating solids NMR Raw Data
<p><strong>The NMR raw data is in both jcamp and topspin format. The data folders are separated in experimental and simulation folders.</strong></p> <p><strong>Folders containing all the simulated MAS spectra acquired at variable MAS rates for two-spin systems single crystal for Figures 2, 5 and 6: </strong>(topspin format)</p> <p> </p> <p>1) two_spin_different_alphas_and_betas_sc (Figure 2)</p> <p>2) two_spin_different_alphas_and_betas_sc_increase_chemdiff (Figure 5)</p> <p>3) two_spin_different_alphas_and_betas_sc_increase_dipolar (Figure 6)</p> <p>4) mas_slowintermediate_regime_chemdiff (Figure S6)</p> <p>5) mas_slowtointermed_regime_mas (Figure S7)</p> <p> </p> <p><strong>Folders containing all the simulated MAS spectra acquired at variable MAS rates for two-spin systems single crystal for Figures 2, 5 and 6: </strong>(jcamp format)</p> <p> </p> <p>1) two_spin_different_alphas_and_betas_sc_jcamp (Figure 2)</p> <p>2) two_spin_different_alphas_and_betas_sc_increase_chemdiff_jcamp (Figure 5)</p> <p>3) two_spin_different_alphas_and_betas_sc_increase_dipolar_jcamp (Figure 6)</p> <p>4) mas_slowintermediate_regime_chemdiff_jcamp (Figure S6)</p> <p>5) mas_slowtointermed_regime_mas_jcamp (Figure S7)</p> <p> </p> <p><strong>Folders containing all the simulated MAS spectra acquired at variable MAS rates for three-spin single crystal systems for Figure 7: </strong>(topspin format)</p> <p> </p> <p>1) three_spin_different_alphas_and_betas_sc</p> <p> </p> <p><strong>Folders containing all the simulated MAS spectra acquired at variable MAS rates for three-spin single crystal systems for Figure 7: </strong>(jcamp format)</p> <p> </p> <p>1) three_spin_different_alphas_and_betas_sc_jcamp</p> <p> </p> <p> </p> <p><strong>Folders containing all the simulated MAS spectra acquired at variable MAS rates for two-spin and three-spin powder systems for Figure 10, 11 and 12: </strong>(topspin format)</p> <p> </p> <p>1) two_spin_different_alphas_and_betas_rep_2ang_200pts_sph</p> <p>2) three_spin_powder_800pts</p> <p> </p> <p><strong>Folders containing all the simulated MAS spectra acquired at variable MAS rates for two-spin and three-spin powder systems for Figure 10, 11 and 12: </strong>(camp format)</p> <p> </p> <p>1) two_spin_different_alphas_and_betas_rep_2ang_200pts_sph_jcamp</p> <p>2) three_spin_powder_800pts_jcamp</p> <p> </p> <p> </p> <p><strong>Folders contains all the experimental echo MAS spectra acquired at variable MAS rates and used for Figures 13 and 14: </strong>(topspin format)</p> <p> </p> <p>1) tyrosine_vt</p> <p>2) tyrosine_vmas</p> <p>3) thymol_vmas</p> <p>4) aspala_vmas</p> <p> </p> <p><strong>Folders contains all the experimental echo MAS spectra acquired at variable MAS rates and used for Figures 13 and 14: </strong>(camp format)</p> <p> </p> <p>1) tyrosine_vt_jcamp</p> <p>2) tyrosine_vmas_jcamp</p> <p>3) thymol_vmas_jcamp</p> <p>4) aspala_vmas_jcamp</p> <p> </p> <p> </p> <p> </p> <p><strong>Folder containing MATLAB codes: </strong></p> <p> </p> <p>1) two_spins_numerical.m (numerical simulation for two-spin systems for single crystal and powder)</p> <p>2) three_spins_numerical.m (numerical simulation for three-spin systems for single crystal and powder)</p> <p>3) AHT_2spinsb.nb (integration to third order of the average two-spin Hamiltonian and the simulation routine of 1H spectra of the resulting average Hamiltonian)</p> <p>4) AHT_3spins.nb (integration to third order of the average three-spin Hamiltonian and the simulation routine of 1H spectra of the resulting average Hamiltonian)</p> <p>5) AHT3spins_terms_and_simulation.nb (List of the all terms of the average Hamiltonian to third order of three-spin, simulation routine and eigenvalue calculation example of the resulting average Hamiltonian)</p>
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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.