Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
535
datasets available to search
ShareScore release 0.9.0
Dataset results
535 results for “NMR,”
Title of Dataset: NMR metabolomic analysis of Drosophila head extracts: 2 genotypes (control, paraKO)
<p>Characterization of <em>para<sup>ko</sup></em> model in <em>Drosophila melanogaster</em> showed homeostasis disturbances as heat-induced phenotype, neuromuscular and cognitive alterations. Moreover, preliminary results during starvation assay revealed possibly differences in metabolism. To assess that NMR spectroscopy was made, comparing heads from young control and mutant flies.</p>
Binned NMR data of growth medium of ten microbial strains
<p>Microbes were grown in defined growth medium for 4 hours, then medium was collected. 1D 1H NMR spectra were recorded on an 850 MHz Bruker spectrometer and spectra were binned in the R package mrbin, version 1.6.1. From each spectrum, a spectrum of pure medium was subtracted.</p>
NMR assignment of methyl groups in solid-state using 1H-detection and fast MAS - NMR raw and processed data
<p>This data set contains raw NMR data in Bruker format for experimental series on (1) 2,3-13C-labelled microcrystalline alanine, (2) U-13C,15N-labelled N-fomylated microcrystalline tripeptide Met-Leu-Phe, and (3,4) two differently labelled (ILV-C4 and ILV-C5) microcrystalline chicken-alpha-spectrin SH3 domain. Measurements were performed at 14.4 T and 55.5 kHz MAS (alanine), 18.8 T and 55.5 and 98 kHz MAS (fMLF), 23.5 T and 55.5 kHz (SH3 C5), 18.8T and 55.5 and 94.5 kHz MAS (SH3 C5) and 18.8T and 55.5 and 94.5 kHz MAS (SH3 C4). The data set also contains Fourier processed data (spectra) in UCSF format, Sparky project, save and peak list files. Pulse programs for Bruker spectrometers are provided. The data set is complemented with SIMPSON scripts for simulation of spin dynamics under aformentioned conditions.</p>
Training data for benchtop NMR and UV/vis spectroscopy for Artificial Neural Networks
<p>Data set of low-field NMR spectra and UV/vis spectra for the synthesis of mesalazine intermediates, which were used as training or validation data for data processing with artificial neural networks development</p> <p><strong>Low-field NMR spectra for the nitration step:</strong></p> <p>The pure component spectrum of 2ClBA, 3N-2ClBA, and 5N-2ClBA are marked as NMR_pure_spectrum. The concentration levels for 2ClBA, 3N-2ClBA and 5N-2ClBA are in row 1, 2, and 3, respectively.</p> <p>The data sets marked as NMR_ represents low-field NMR-spectra recorded. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively.</p> <p><strong>Datafusion data sets for the hydrolysis and nitration step</strong></p> <p>The NMR data are either recorded or simulated from the pure NMR spectrum of each individual component. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are either assigned with UHPLC measurements or calculated from the prepared solutions.</p> <p>The NMR spectra are depicted in datafusion_NMR_training. The reference values for 2ClBA, 3N-2ClBA and 5N-2ClBA are in column 1, 2, and 3, respectively.</p> <p>The UV/vis spectra are depicted in datafusion_UVvis_training. The reference values for 2ClBA, 3N-2ClBA, 5N-2ClBA, 3-NSA and 5-NSA are in column 1, 2, 3, 4, and 5, respectively.</p> <p><strong>Process data</strong></p> <p>The NMR spectra for the stability run and the run with dynamic changes are depicted in process_NMR_. The first column is the time stamp.</p> <p>The UV/vis spectra for the stability run and the run with dynamic changes are depicted in process_UV_. The first column is the time stamp.</p>
NMR spectra of A-rich oligonucleotides that pause polymerase progression
<p>1D proton NMR spectra of HHV6A-A and HPV18b-A in lithium cacodylate buffer with and without 100 mM KCl, recorded at 25 °C and 0 °C on 600 MHz NMR spectrometer.</p>
Raw data for 'Analysing binding stoichiometries in NMR titration experiments using Monte Carlo simulation and resampling techniques'
<p>Repository of the raw data and SupraFit binaries (for Windows, Linux and macOS) for the research article:</p> <p><strong>Analysing binding stoichiometries in NMR titration experiments using Monte<br> Carlo simulation and resampling techniques</strong></p> <p> </p> <p>It contains the SupraFit nigthly builds 2.5.98 for Windows (<em>SupraFit-nightly-2.5.98-x86_x64-Windows.zip</em>), Linux (<em>SupraFit-nightly-2.5.98-x86_64-Linux.tar.gz</em>) and macOS (<em>SupraFit-nightly-2.5.98-macOS.dmg</em>).</p> <ul> <li> <p><em>Simulated Experiments.suprafit</em> contains the simulated experimental data</p> </li> <li> <p><em>Simulated 1_1 Experiment.suprafit</em> contains the raw data of the 1:1 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>Simulated 1_1_1_2 Experiment.suprafit</em> contains the raw data of the 1:1/1:2 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>Simulated 2_1_1_1 Experiment.suprafit </em>contains the raw data of the 2:1/1:1 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>Simulated 2_1_1_1_1_2 Experiment.suprafit </em>contains the raw data of the 2:1/1:1/1:2 data set after several statistical post-processing analyses were performed</p> </li> <li> <p><em>MC-simulation 1_1_1_2 Experiment.suprafit </em>contains the raw data for Figure 4 in the article</p> </li> </ul>
Investigation of the Hydration Behavior of Different Sugars by Time Domain‐NMR
<p>Tables containing characterization data of hydration behavior of different sugars by various complementary methods (Spin-Spin Relaxation Times (T<sub>2</sub>), Self-Diffusion Coefficient and Use of Magic Sandwich Echo (MSE) Sequence for Crystallinity Measurements)</p>
Dataset for mansucript: Deeper Insight into Photopolymerization: The Synergy of Time-Resolved Non-Uniform Sampling and Diffusion NMR
<p>Dataset and processing scripts used in Manuscript:</p> <p><a href="https://pubs.acs.org/doi/10.1021/jacs.2c05944"><strong>Deeper Insight into Photopolymerization: The Synergy of Time-Resolved Non-Uniform Sampling and Diffusion NMR</strong></a></p> <p><a href="https://pubs.acs.org/doi/10.1021/jacs.2c05944"><strong>Journal of the American Chemical Society, DOI: 10.1021/jacs.2c05944</strong></a></p> <p>The main folder contains two Jupyter Notebooks:</p> <ol> <li>Analyze_DiffusionOnlyData.ipynb</li> <li>Analyze_InterleavedData.ipynb</li> </ol> <p>The first is used to analyze Diffusion-only analysis of photopolymerization of N,N-bis(anthracen-9-ylmethyl)butane-1,4-diamine and dimerization of anthracene. It is used to generate Figure SI.1.</p> <p>The second is used to analyze the first system using TR-NUS and TR-Diffusion dataset acquired in interleaved mode. It is used to generate Figures: 2,3,4 in main manuscript and Figure SI.3</p>
NMR_raw_data for "Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors"
<p>Raw 1D/2D NMR data and chemical structures for compounds <strong>1 </strong>- <strong>6</strong> of the study "Native Metabolomics Identifies the Rivulariapeptolide Family of Protease Inhibitors".</p>
1H-NMR acquisition data of different developmental stages of Coriander fruits
<p>This is the raw 1H-NMR acquisition data acquired with 400 MHz, Bruker Broad Band NMR Spectrometer. </p>
NMR_T2_evaporation-of-water_porous-media
<p>Nuclear magnetic resonance (NMR) transversal relaxation time T2 during evaporation of water from porous media was collected. Both homogeneous and inhomogeneous porous media was applied in experiments. Homogeneous porous media was made of uniform-sized glass beads with diameter at either 25 μm or 150 μm. Inhomogeneous porous media included two parts with top and bottom part made of fine and coarse beads respectively. By adjusting the proportion of each part, multiple inhomogeneous porous media was made. The temperature during experiment was controlled at 50 °C and T2 data was recorded every 30 minutes (individual experiment lasted from 3 to 5 days). Carr-Purcell-Meiboom-Gill (CPMG) sequence was applied in data recording and parameters were set at TE=0.2 ms and NECH=18000. Each recording collects 5000 pairs of T2 and corresponding signal amplitude, based on which the transient water content and distribution could be obtained.</p>
DATA - Modern manufacturing enables magnetic field cycling experiments and parahydrogen induced hyperpolarization with a benchtop NMR
<p>Datasets and software for the publication "Modern manufacturing enables magnetic field cycling experiments and parahydrogen induced hyperpolarization with a benchtop NMR"</p>
Sensitivity-enhanced multidimensional solid-state NMR spectroscopy by optimal-control-based transverse mixing sequences
<p>The dataset here contains the raw data and pulse programs used for the publication "Sensitivity-enhanced multidimensional solid-state NMR spectroscopy by optimal-control-based transverse mixing sequences" submitted to JACS.</p> <p>All data is in a native Bruker TopSpin format. Data is organized in folders corresponding to Figures of the original publication. Detailed description is included in the file description.txt.</p> <p>We reccomend to visit our website optimal-nmr.net for additional information about optimal control methods applied to pulse sequence development for solid-state magic-angle-spinning NMR studies of proteins.</p>
alfa-synuclein spectra for the paper "Linear discriminant analysis reveals hidden patterns in NMR chemical shifts of intrinsically disordered proteins"
<p>The experimental data for the paper "Linear discriminant analysis<br> reveals hidden patterns in NMR chemical shifts of intrinsically<br> disordered proteins" - four spectra of an intrinsically disordered<br> protein alfa-synuclein:</p> <p>3D HNCO</p> <p>4D HabCab(CO)NH</p> <p>4D (H)N(CA)CONH</p> <p>4D HNCACO</p> <p>All spectra were acquired using non-uniform sampling (schedules included<br> as 'schedule.txt' files in a format of 'Kozminski' method in VnmrJ). 3D<br> spectrum (HNCO_nuFT.ucsf) was processed using multidimensional Fourier transform<br> (http://nmr.cent3.uw.edu.pl/software, program 'toastd'). Additionally, we provide a spectrum cleaned of NUS artifacts (HNCO_artifacts_cleaned.ucsf) using program handy (http://nmr.cent3.uw.edu.pl/software, program 'handy').</p> <p>4D spectra were processed using sparse multidimensional Fourier transform<br> (http://nmr.cent3.uw.edu.pl/software, program 'reduced'), based on a<br> HNCO peak list ('peak.list' file). Files with processing parameters are<br> included as 'parameters.txt' files.</p> <p>The resulting spectra are included as Sparky .ucsf files. The files for<br> 4D spectra are the collections of 2D cross-sections with the<br> cross-section number corresponding to the numbering of HNCO peaks in the<br> 'peak.list' file.</p> <p>The folder 'Application2_assignment_transfer' contains Sparky 'ucsf' and 'save' files of the two-dimensional NH projection of the HNCO spectrum with the experimental (HSQC_exp.list) and BMRB (HSQC_bmrb.list) peak lists read into the spectrum. The experimental peaks are marked with arbitrary numbers and BMRB peaks - with names of the preceding aa-residues. The correct assignment is shown in the file 'assignment.txt'.</p>
Multi-omic brain and behavioral correlates of cell-free fetal DNA methylation in macaque maternal obesity models (NMR datasets, maternal plasma and infant brain)
<p>Maternal obesity during pregnancy is associated with neurodevelopmental disorder (NDD) risk. We utilized integrative multi-omics to examine maternal obesity effects on offspring neurodevelopment in rhesus macaques by comparison to lean controls and two interventions. Differentially methylated regions (DMRs) from longitudinal maternal blood-derived cell-free fetal DNA (cffDNA) significantly overlapped with DMRs from infant brain. The DMRs were enriched for neurodevelopmental functions, methylation-sensitive developmental transcription factor motifs, and human NDD DMRs identified from brain and placenta. Brain and cffDNA methylation levels from a large region overlapping mir-663 correlated with maternal obesity, metabolic and immune markers, and infant behavior. A DUX4 hippocampal co-methylation network correlated with maternal obesity, infant behavior, infant hippocampal lipidomic and metabolomic profiles, and maternal blood measurements of DUX4 cffDNA methylation, cytokines, and metabolites. Ultimately, maternal obesity altered infant brain and behavior, and these differences were detectable in pregnancy through integrative analyses of cffDNA methylation with immune and metabolic factors. </p>
Primary NMR fid data for Abas, M. et al.
<p>Primary data fid files for 1H NMR and 13C{1H} NMR spectra of compounds 1a, 1b, 1c, 1d, 1e, 2a, 2b, 3, 5, 6, 7, and 8 from the manuscript "Truce-Smiles Rearrangement of Carbanion Nucleophiles Stabilized by Various Functional Groups".</p>
Urine NMR metabolomics for precision oncology in colorectal cancer
<p>Tables summarizing the data used for the review. Up to 7 tables, and a list of the included studies is provided.</p>
Supplementary information for: Monitoring cheese ripening by single-sided NMR
<p>Supplementary information for: Monitoring cheese ripening by single-sided NMR</p> <p>Raw experimental data used to create the manuscript.</p> <p>Data structure:</p> <p>Each folder contains the date of acquisition. Inside folders are CPMG, DT2, and T1T2 experiments with suffix showing the position of the acquired region in micrometers.</p> <p> </p>
1H HRMAS NMR ERETIC-CPMG dataset for survival analysis and pathological classification of gliomas
<p>This repository contains the raw ERETIC-CPMG HRMAS NMR data to reproduce the results reported in the following preprint: PiDeeL: Pathway-informed deep learning model for survival analysis and pathological classification of gliomas</p> <p>The FID spectra can be found under the FID_Samples directory. The pathological classification and survival analysis labels can be found in the Dataset_Labels.xlsx file.</p>
Demo NMR record of benzo[a]pyrene
<p>NMR Record of of benzo[a]pyrene</p>
ScienceDex guides
Understand access before you commit
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.