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410 results for “1H”
NMR data for "Rapid and simple 13C-hyperpolarization by 1H dissolution dynamic nuclear polarization followed by an in-line magnetic field inversion"
<p>Liquid-state and solid-state NMR data for "Rapid and simple 13C-hyperpolarization by 1H dissolution dynamic nuclear polarization followed by an in-line magnetic field inversion".</p> <p>The data enclosed are NMR data generated by the software Topspin by Burker Biospin. The experiments are dDNP runs that come in two parts: a solid-state and a liquid-state part.</p> <ul> <li>Experiments from 1 to 9 are reference experiments used to quantify polarization in other experiments</li> <li>Experiments 11-19, 21-29, 31-39, ... 61-69 correspond to 6 dDNP runs performed a different samples from the same batch. The numbers correspond between solid and liquid-state datasets</li> </ul> <p>The codes used to analyze the data are available at in a next upload.</p> <p>Refer to the main text of the paper and its supplementary material at 10.26434/chemrxiv-2023-6gd0l for more information.</p>
MetaboScope: A statistical toolbox for analyzing 1H nuclear magnetic resonance spectra from human clinical studies.
<p>MetaboScope is purposefully built as a pipeline where each module accepts the output generated by the previous one. This provides flexibility and simplicity of use, while being straightforward to maintain. The system and its libraries were developed in JavaScript and run as a web app; therefore, all the operations are performed on the local computer, circumventing the need to upload data. The code is open source (DOI: https://www.cheminfo.org/flavor/metabolomics/index.html) and can be readily installed locally. We provide module notes and video tutorials, in addition to clinical spectral datasets for modelling purposes.</p> <p>View data:</p> <p><a title="nmrium.org" href="https://www.nmrium.org/nmrium#?toc=https://zenodo.org/api/records/12916741/files/toc.json/content" target="_blank" rel="noopener">https://www.nmrium.org/nmrium#?toc=https://zenodo.org/api/records/12916741/files/toc.json/content</a></p>
Neurometabolic changes in a rat pup model of type C HE - 1H MRS dataset (hippocampus)
<p>1H MRS in hippocampus was used to study longitudinally the effect of chronic liver disease (bile duct ligated rat model) in the brain (type C hepatic encephalopathy) of animals having developed disease a post natal day 15 (p15) corresponding to ~4 months old human brain. The dataset contains MR spectra and LCModel Quanifications from 7 bile duct ligated and 8 control animals at week 2, 4 and 6 after surgery.</p> <p>Please cite the following manuscript if you are using these data</p> <p><a href="https://pubmed.ncbi.nlm.nih.gov/37148431/">Neurometabolic changes in a rat pup model of type C hepatic encephalopathy depend on age at liver disease onset - PubMed (nih.gov)</a></p>
Fast Remote Correlation Experiments for 1H Homonuclear Decoupling in Solids
<p>Experimental, pulse sequence and processing codes of the article ''Fast Remote Correlation Experiments for 1H Homonuclear Decoupling in Solids.''published in JMR.</p> <p>Read the readme.rtf file for more information.</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: 80 wt% C12E5, T=298K</p> <p>Other files available: http://dx.doi.org/10.6084/m9.figshare.861071</p>
Data for: Making 1H-1H couplings more accessible and accurate with selective 2DJ NMR experiments aided by 13C satellites
<p><sup>1</sup>H-<sup>1</sup>H coupling constants are one of the primary sources of information for NMR structural analysis. Several selective 2DJ experiments have been proposed that allow their individual measurement at pure shift resolution. However, all these experiments fail in the not uncommon case when coupled protons have very close chemical shifts. Firstly, the coupling between protons with overlapping multiplets is inaccessible due to the inability of a frequency-selective pulse to invert just one of them. Secondly, the strong coupling condition affects the accuracy of coupling measurements involving third spins. These shortcomings impose a limit on the effectiveness of state-of-the-art experiments, such as G-SERF or PSYCHEDELIC. Here, we introduce two new and complementary selective 2DJ experiments that we coin SERFBIRD and SATASERF. These experiments overcome the aforementioned issues by utilizing the <sup>13</sup>C satellite signals at natural isotope abundance, which resolve the chemical shift degeneracy. We demonstrate the utility of these experiments on the tetrasaccharide stachyose and the challenging case of norcamphor, for the latter achieving measurement of all <em>J</em><sub>HH</sub> couplings while only few were accessible with PSYCHEDELIC. The new experiments are applicable to any organic compound and will prove valuable for configurational and conformational analyses.</p> <p>This deposit contains Bruker pulse sequences of the SERFBIRD and SATASERF experiments, and the Bruker NMR experimental data. See the readme.pdf file for an overview of the latter.</p>
NMR data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC
<p>NMP FAIRSpec example collection</p>
Automated Qualitative and Quantitative Analysis of Complex Forensic Drug Samples using 1H NMR
<p>Dataset to accompany the manuscript "Automated Qualitative and Quantitative Analysis of Complex Forensic Drug Samples using <sup>1</sup>H NMR"</p>
1H Hyperpolarization of Solutions by Overhauser Dynamic Nuclear Polarization with 13C-1H Polarization Transfer
<p>The dataset here contains the raw data used for the publication 10.1021/acs.jpclett.2c01956</p> <p>There are two folders and one readme file. NMR data in JCAMP or Topspin are in these two folders and are organised according to the figure or table mentioned in the publication. For details, please refer to the readme file. </p>
1H NMR spectra of commercial honey from 400 and 700 MHz spectrometers and tables with data after processing and binning
<p>Datasets contain the 1H NMR original raw spectral data (Bruker format) of commercial honey from 400 MHz and 700 MHz NMR spectrometers and Tables (.xlsx) with data after processing and binning.</p> <p> </p> <p> </p>
Figure 5. Spectrum region HSQC 1H-13C in Molecular docking studies and evaluation of the antiretroviral activity and cytotoxicity of the species Lafoensia pacari Saint-Hilaire
Figure 5. Spectrum region HSQC 1H-13C (A) and HMBC 1H-13C (B) with region of aromatics compounds of the acid wash water acetate subfraction (88.83%) of L. pacari obtained in methanol-d4.
Figure 5. 1H in Phytotoxicity of plant extracts of Vismia japurensis cultivated in vivo and in vitro
Figure 5. 1H-RMN spectra for hexanic extracts (top to bottom): (a) Branch hexanic extract; (b) Leaf hexanic extract; (c) Hexanic extract from in vitro seedlings.
Maximizing Relayed 1H Hyperpolarization Transfer by Slow-Fast MAS NMR Spectroscopy
<p>NMR raw data, matlab scripts, and data related to publication: https://doi.org/10.1021/acs.jpca.4c02452.</p> <p>The raw data content is described in the README files provided within the folders.</p>
Fig. 1 in 1H, 13C, 15N Chemical Shift Assignments for Mesd12-155
Fig. 1. Pangerpeton sinensis gen. et sp. nov. A. Holotype specimen (IVPP V14244) from Wubaiding Village, Lingyuan City, Liaoning Province, China, probably contemporaneous with the salamander−bearing horizon at Daohugou, Inner Mongolia, Late Jurassic/Early Cretaceous, showing ventral impression of a nearly complete skeleton. B. High−fidelity cast of holotype showing skull, forelimbs and pectoral girdle. C. Line drawing of skull and atlas, taken from cast.
Fig. 2 in 1H, 13C, 15N Chemical Shift Assignments for Mesd12-155
Fig. 2. Fifty percent Majority Rule Consensus of 28 most parsimonious trees resulting from a phylogenetic analysis using PAUP* (see character description in http://spaces.msn.com/members/ywangivpp, and matrix of taxon and character states in Table 2).
Raw data used in the manuscript titled "Metabolomic Analysis of Histological Composition Variability of High-Grade Serous Ovarian Cancer Using 1H HR MAS NMR Spectroscopy "
<p>The folder contains raw data used in the manuscript titled "Metabolomic Analysis of Histological Composition Variability of High-Grade Serous Ovarian Cancer Using <sup>1</sup>H HR MAS NMR Spectroscopy ".</p> <p> </p> <p> Raw data measured on Bruker Avance III 400 MHz NMR spectrometer:</p> <p>- 1D <sup>1</sup>H HR MAS NMR spectra (path: <em>Patient_code – Sample_code/500/fid</em>)</p> <p>- 2D <sup>1</sup>H-<sup>1</sup>H J-resolved HR MAS NMR spectra (path: <em>Patient_code – Sample_code/600/ser</em>).</p> <p> </p> <p>Metadata is included in <em>Metadata.xlsx</em> file.</p> <p>Each sample is described with the following parameters:</p> <p>- patient code (after anonymization),</p> <p>- sample code (the label <em>l</em> or <em>r</em> denotes the <em>left</em> or <em>right</em> ovary in patients from whom samples were obtained bilaterally),</p> <p>- sample weight,</p> <p>- clinic-pathological parameters (such as: age, BMI, menopausal status, diagnosis, FIGO stage),</p> <p>- percentage tissue content obtained from histopathological analysis after HR MAS NMR studies (cancer cells, epithelial compartment within benign tumors, necrosis, inflammation, fibrosis, calcification, normal ovary, vessels, fatty tissue).</p> <p> </p> <p>Some samples were considered representative of particular tissue components:</p> <p>- cancer (HGSOC) compartment,</p> <p>- fibrotic stroma within malignant (HGSOC) tumors,</p> <p>- fibrotic stroma within benign tumors,</p> <p>- normal ovary tissue (the samples collected from the control group),</p> <p>- normal ovary tissue (the samples collected from the cancer patients),</p> <p>- necrosis,</p> <p>- non-tumoral fibrous tissue / fibrous tumor capsule (obtained from the patients with benign non-neoplastic lesions)</p> <p>- corpus albicans</p> <p>The assignment of the samples to these categories is indicated in the column <em>Tissue components.</em></p> <p><em> </em></p> <p>The samples classified as outliers in PCA model 1 are indicated in the column <em>Outliers</em>.</p> <p>The samples included in multivariate models are indicted in the columns: <em>PCA 2, PCA 3, PCA 4, PCA 5, PCA 5a, PCA 6, OPLS-DA 1, OPLS-DA 2, OPLS-DA 3, OPLS-DA 4, OPLS-DA 5, OPLS-DA 6 and OPLSR.</em></p> <p><em> </em></p>
CS#1H Monitoring Data of Subsurface Passage in Managed Aquifer Recharge: Microbial and Organic Composition Analysis
<div>This dataset contains flow cytometry and cultivation-based microbial data, along with measurements of natural organic matter (NOM) characterized by fluorescence, absorbance, and liquid chromatography-organic carbon detection (LC-OCD) from CS#1H. Data were collected over a one-year monitoring period at two sampling locations: the infiltration ditch and the abstraction well. </div>
potassium (2-pyrimidin-2-yl-1H-benzimidazole)dimethylnickel, K(bimpm)Ni(CH3)2
<p>Data Set for compound 1</p>
Dataset: 1H NMR metabolomic study of auxotrophic starvation in yeast using Multivariate Curve Resolution-Alternating Least Squares for Pathway Analysis
<p>This dataset contains the set of 1H NMR data used in https://doi.org/10.1038/srep30982.</p> <p>Yeast was grown in five different liquid media and their metabolism was characterized at 6 different time-points during 24 h.</p> <p>The media used were YSC (Yeast nitrogen base Synthetic Complete) and four Drop-Out (DM) medium that do not contain one of the following nutrients (L-histidine, L-leucine, L-methionine and uracil). Since the used yeast strain does not encode in its genome some genes relative to the biosynthesis of these four nutrients, some gene de-regulations process will occur, detectable at the metabolome level.</p> <p>In this study, we have characterized the metabolome using <sup>1</sup>H NMR spectroscopy, detecting more than 40 metabolites, and the evolution of this metabolome along the measured time-points was described by application of PCA, ASCA and MCR-ALS chemometric methods.</p>
Dataset: A quantitative 1H NMR approach for evaluating the metabolic response of Saccharomyces cerevisiae to mild heat stress
<p>In this study, the effect of growth temperature on the yeast (<em>Saccharomyces cerevisiae</em>) metabolome has been analyzed by one-dimensional proton NMR spectroscopy (<sup>1</sup>H NMR).</p> <p>Yeast cells were grown either at 30 or 37°C. A non-targeted chemometric evaluation of the spectra was performed in order to detect potential biomarkers. Moreover, an exhaustive assignment for most of the detected NMR signals was carried out, corresponding to 38 identified metabolites. Resonances from these identified metabolites were integrated, and univariate and multivariate data analyses were applied on the matrices of these relative concentrations. Observed changes in metabolite concentrations were consistent with the expected process of temperature acclimation, showing alterations in amino acid cellular pools, nucleotide metabolism and lipid composition.</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
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Annotated Behaviour and Observability Dataset (ABODe)
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DANDI Archive for NWB datasets
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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.