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43 results for “solid state NMR”
Solid-state NMR data for: Sequential pore functionalization in MOFs for enhanced carbon dioxide capture
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113Cd Solid-State NMR at 21.1 T Reveals the Local Structure and Passivation Mechanism of Cadmium in Hybrid and All-Inorganic Halide Perovskites
<p>Raw NMR data in Bruker Topspin format. Input and output files of the quantum mechanical calculations.</p>
Chronological Molecular Fingerprint of Wetland Soil by Sensitivity-Enhanced Solid-State NMR
<p>The unprocessed ssNMR data files generated in this study "Chronological Molecular Fingerprint of Wetland Soil by Sensitivity-Enhanced Solid-State NMR". </p>
Solid-state NMR data for the publication "Bonding of Polyethylenimine in Covalent Organic Frameworks for CO2 Capture from Air"
<p>This upload contains the solid-state NMR of COF-709 series obtained by using Bruker Avance IV NEO 400 MHz NMR instrument. The instrument used in this work was supported by the National Science Foundation under Grant No. 2018784. Per NSF requirements, the data will be publicly available at the time of publication. This dataset can be opened and processed by using MestreNova NMR or similar softwares.</p>
Data for Observation of 1H-1H J-couplings in fast magic-angle-spinning solid-state NMR spectroscopy
<p>Supporting data for Observation of 1H-1H J-couplings in fast magic-angle-spinning solid-state NMR spectroscopy.</p> <p>Raw and processed NMR data and fitting codes.</p> <p>See individual README.txt in each zip file for details.</p>
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>
Atomic-Resolution Structure of the Protein Encoded by Gene V of fd Bacteriophage in Complex with Viral ssDNA Determined by Magic-Angle Spinning Solid-State NMR
<p>F-specific filamentous phages, elongated particles with circular single-stranded DNA encased in a symmetric protein capsid, undergo an intermediate step, where thousands of homodimers of a non-structural protein, gVp, bind to newly synthesized strands of DNA, preventing further DNA replication and preparing the circular genome in an elongated conformation for assembly of a new virion structure at the membrane. While the structure of the free homodimer is known, the ssDNA-bound conformation has yet to be determined. We report an atomic-resolution structure of the gVp monomer bound to ssDNA of fd phage in the nucleoprotein complex elucidated via Magic-Angle Spinning solid-state NMR. The model presents significant conformational changes with respect to the free form. These modifications facilitate the binding mechanism and possibly promote cooperative binding in the assembly of the gVp-ssDNA complex.</p> <p>The raw NMR data used for structure determination are uploaded as original Bruker directories from topspin version 3.5. Processing details are given in the supporting Information of the manuscript. PDB ID is 8ACZ. BMRB accession number is 51391.</p>
Solid-state NMR data set for SI of "Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid State"
<p>These datasets are part of the Supplementary Information of "Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid State". All experimental details are given in the mentioned document.</p>
Optimal control derived sensitivity-enhanced CA-CO mixing sequences for MAS solid-state NMR. Applications in sequential protein backbone assignments.
<p>Raw data pulse sequences and shapes for publication</p> <p><br> ## SEQUENCES ##<br> ./sequences_renamed<br> Pulse programs introduiced in this work. Previous pulse programs can be obtained from https://doi.org/10.5281/zenodo.7016441 or https://optimal-nmr.net/experiments.html</p> <p>## SHAPES ##<br> ./shapes_renamed<br> TROP shaped pulses for homonuclear 13C-13C homonuclear mixing discussed in this work. Heteronuclear shaped pulses can be obtained from https://doi.org/10.5281/zenodo.7016441 or https://optimal-nmr.net/sequences.html</p> <p>## RAW DATA ##<br> to decrease storage demands 3D-processed spectra were deleted and can be recovered using TopSpin command: ftnd 0<br> TopSpin NUS licence is required for processing of the NUS-sampled data. Transformed data can be obtained from authors on request.</p> <p># U-13C,15N,2H,1HN-SH3 sample at 55 kHz MAS<br> ./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/1<br> 1H saturation recovery</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/2<br> 1H hard pulse calibraton</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/3<br> 15N hard pulse calibration</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/4<br> conventional hNH with rampCP optimalization</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/5<br> sensitivity-enhahced se-hNH with TROP optimalization</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/11<br> 2D conventional hNH with rampCP </p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/12<br> 2D sensitivtiy-enhanced se-hNH with TROP </p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/13<br> CO hard pulse and hCO CP calibration</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/14<br> CA hard pulse and hCA CP calibration</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/27<br> CACO homoTROP power optimalization in sensitivity-enhanced se-hCACOHN experiment</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/28<br> CACO INEPT delay optimalization in conventional hcoCAcoHN experiment</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/31 to 38<br> comparison of hCANH experiment efficiency using combination of coherence transfer methods (rampCP, tmSPICE and TROP) for CAN and NN transfer (see experiment tiles)</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/41 to 45<br> comparison of hCONH experiment efficiency using combination of coherence transfer methods (rampCP, tmSPICE and TROP) for CON and NN transfer (see experiment tiles)</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/57 and 58<br> optimalization of selective CA and CO 90 and 180 pulse</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/59<br> COCA INEPT delay optimalization in conventional hCOcaHN experiment</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/60<br> COCA homoTROP power optimalization in sensitivity-enhanced se-hCOCAHN experiment</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/69<br> conventional 3D hCANH experiment using tmSPICE CAN transfer; with water suppression after first CP, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/70<br> sensitivity-enhanced 3D se-hCANH experiment using TROP transfer; with water suppression after first CP, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/72<br> conventional 3D hCONH experiment using tmSPICE CON transfer; with water suppression after first CP, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/73<br> sensitivity-enhanced 3D se-hCONH experiment using TROP transfer; with water suppression after first CP, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/74<br> sensitivity-enhanced 3D se-hCAcoNH experiment using TROP transfer and homoTROP; with water suppression after first CP, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/75<br> conventional se-hcoCAcoNH experiment using tmSPICE CN transfer and INEPT ‘out-and-back’ coCAco transfer; with water suppression before NH transfer, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/76<br> sensitivity-enhanced 3D se-hCOcaNH experiment using TROP transfer and homoTROP; with water suppression after first CP, 15% non-uniform sampled</p> <p>./JB.1p3mm.20221122.sh3.2H13C15N100pcbackexch/77<br> conventional 3D hCOcaNH experiment using tmSPICE CN transfer and INEPT ‘complete forward’ COca; with water suppression after first CP, 15% non-uniform sampled</p> <p><br> # U-13C,15N glycine at 16.5 kHz MAS<br> ./MAS_COCa_seTesting/62<br> sensitivity-enhanced se-hCACO experiment with homoTROP pulse without diagonal-phase control</p> <p>./MAS_COCa_seTesting/63<br> sensitivity-enhanced se-hCOCA experiment with homoTROP pulse without diagonal-phase control</p> <p><br> # U-13C,15N-fMLF at 20 kHz MAS<br> ./jb.20211102_fMLF_3.2/2<br> 13C direct excitation spectra</p> <p>./jb.20211102_fMLF_3.2/3<br> 13C and 1H hard-pulse calibration and HC CP optimalization</p> <p>./jb.20211102_fMLF_3.2/4<br> 15N hard-pulse calibration and HC CP optimalization</p> <p>./jb.20211102_fMLF_3.2/5<br> NCA rampCP optimalization</p> <p>./jb.20211102_fMLF_3.2/6<br> NCO rampCP optimalization</p> <p>./jb.20211102_fMLF_3.2/79<br> sensitivity-enhanced se-hNCACO with TROP pulses</p> <p>./jb.20211102_fMLF_3.2/83<br> sensitivity-enhanced se-hNCOCA with TROP pulses</p> <p>./jb.20211102_fMLF_3.2/87<br> conventional hNCACO with rampCP and DREAM mixing</p> <p>./jb.20211102_fMLF_3.2/87<br> conventional hNCOCA with rampCP and DREAM mixing</p>
Raw NMR Data for Accelerated Acquisition of Wideline Solid-State NMR Spectra of Spin 3/2 Nuclei by Frequency-Stepped Indirect Detection Experiments
<p>Raw NMR data in Bruker Topspin format and SIMPSON simulation files are provided for all main text Figures. </p>
Local structure and dynamics in methylammonium, formamidinium and cesium tin(II) mixed−halide perovskites from 119Sn solid−state NMR
<p>Raw and processed NMR data in Bruker Topspin format</p>
Raw NMR data for Structural Studies of Alloyed and Nanoparticulate Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy
<p>Raw NMR data for main text figures.</p>
Complex Isomerism Influencing the Texture Properties of Organometallic [Cu(salen)] Porous Polymers: Paramagnetic Solid-State NMR Characterization and Heterogeneous Catalysis
<p>Raw data from NMR experiments and numerical simulations.</p>
Spin Diffusion under Fast Magic-Angle Spinning in Solid-State NMR
<p>Supporting data, scripts, and source code to go with the paper manuscript.</p>
Data for article "Solid-State NMR Spectra of Protons and Quadrupolar Nuclei at 28.2 T: Resolving Signatures of Surface Sites with Fast Magic Angle Spinning"
<p>Solid-state NMR data for article:</p> <p>Solid-State NMR Spectra of Protons and Quadrupolar Nuclei at 28.2 T: Resolving Signatures of Surface Sites with Fast Magic Angle Spinning</p> <p> Zachariah J. Berkson, Snædís Björgvinsdóttir, Alexander Yakimov, Domenico Gioffrè, Maciej D. Korzyński, Alexander B. Barnes, and Christophe Copéret</p> <p>https://doi.org/10.1021/jacsau.2c00510</p>
Data for "Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid-State NMR: the Revolving Power of Ultra-Fast MAS"
<p>Raw NMR data</p>
Solid state NMR data of amorphous MOF [(Eu2Zr)(btc)3(Hbtc)0.5·6H2O)]
<p>Solid state NMR <sup>13</sup>C and <sup>1</sup>H data for the sample [(Eu2Zr)(btc)3(Hbtc)0.5·6H2O)], an amorphous coordination compound with high luminescence and thermal stability.</p>
Molecular Architecture of Chitin and Chitosan-Dominated Cell Walls in Zygomycetous Fungal Pathogens by Solid-State NMR
Open the record for dataset details and reuse information.
Dataset to the article "Probing Sodium Structures and Dynamics in Hard Carbon for Na-ion Batteries using 23Na Operando Solid-State NMR Spectroscopy" by M. Gabrijelčič et. al.
<p>If you would like to request access to these files, please fill out the form below.</p> <p>You need to satisfy these conditions in order for this request to be accepted:</p> <div> <p>We will be happy to release and share the file with you - before please let us know for which purpose you need this file. Thank you!</p> </div>
RbClO4 solid-state NMR spectrum
<p>87Rb NMR dataset of RbClO4.</p>
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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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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.
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