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1,104 results for “bonding”
Dataset on full ultrasonic guided wavefield measurements of a CFRP plate with fully bonded and partially debonded omega stringer
<p>The fourth dataset dedicated to the <a href="http://openguidedwaves.de/">Open Guided Waves</a> platform presented in this work aims at a carbon fiber composite plate with an additional omega stringer at constant temperature conditions. The dataset provides full ultrasonic guided wavefields. </p> <p>A chirp signal in the frequency range 20-500 kHz and Hann windowed tone-burst signal with 5 cycles and carrier frequencies of 16.5 kHz, 50 kHz, 100 kHz, 200 kHz and 300kHz are used to excite the wave. The piezoceramic actuator used for this purpose is attached to the center of the stringer side surface of the core plate.</p> <p><br> Three scenarios are provided with this setup: (1) wavefield measurements without damage, (2) wavefield measurements with a local stringer debond and (3) wavefield measurements with a large stringer debond. The defects were caused by impacts performed from the backside of the plate. As result, the stringer feet debonds locally which was verified with conventional ultrasound measurements.</p> <p>The dataset can be used for benchmarking purposes of various signal processing methods for damage imaging.</p> <p>The detailed description of the dataset is published in Data in Brief Journal [3].</p>
Data for: Temperature-controlled Molecular Bonding Hysteresis: Interphase Dynamics of a Nanoparticle-modified Polymer Network
<p>The data is supplementary to the publication "Temperature-controlled Molecular Bonding Hysteresis: Interphase Dynamics of a Nanoparticle-modified Polymer Network", DOI: <a title="DOI URL" href="https://doi.org/10.1021/acs.jpclett.4c00406">10.1021/acs.jpclett.4c00406</a></p> <p>Key words: Thermal volume expansion, Interphase dynamics, Temperature-modulated optical refractometry, Nanoparticles, Optical Remanence, Hysteresis, Refractive index</p> <p>The data sets contain measured and processed data on the interphase dynamics of a nanoparticle modified epoxy resin collected via Temperature-modulated optical refractometry (TMOR).</p> <p>Material details:</p> <ul> <li>Cycloaliphatic epoxy resin + Anhydride curing agent + 1-methylimidazole</li> <li>Core-shell rubber nanoparticles, 100 nm, dispersed in a cycloaliphatic epoxy carrier resin</li> </ul> <p>Funding received from:</p> <ul> <li>German Research Foundation (DFG), project number: 521902629.</li> </ul>
Mechanically Resistant Poly(N-vinylcaprolactam) Microgels with Sacrificial Supramolecular Catechin Hydrogen Bonds
<p>Original data corresponding to the plots of Figures 2, 4, 5 of the manuscript and S1-S16 of the Supporting Information in *.csv format and raw data for NMR measurements.</p>
Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters
<p>Dataset for the publication: <strong>Calix[6]arenes with halogen bond donor groups as selective and efficient anion transporters</strong> by A. Singh, A. Torres-Huerta, T. Vanderlinden, N. Renier, L. Martínez-Crespo, N. Tumanov, J. Wouters, K. Bartik, I. Jabin, H. Valkenier, <em>Chem. Commun.</em> <strong>2022</strong>, doi:10.1039/D2CC008472E,</p> <p>containing:</p> <ul> <li>A file with the structures of compounds <strong>1</strong>-<strong>5</strong> (PDF)</li> <li>NMR spectra for the characterisation of compounds <strong>1a</strong>, <strong>1b</strong>, <strong>1c</strong>, <strong>2</strong>, and <strong>3</strong> (Mestrenova files)</li> <li>NMR spectra for the titration experiments with compounds <strong>1</strong><strong>-5</strong> in different solvents (Mestrenova files)</li> <li>Concentrations of Host and Guests in the various titration experiments (Excel file)</li> <li>Transport data in the lucigenin assay (Excel file)</li> <li>Transport data in the HPTS assay (Excel file)</li> </ul> <p> </p> <p> </p> <div> </div>
MADIA_732678_SCRIBA_Bonding images and protocol_01
<p>ONLY METADATA</p> <p>Collection of protocol and images on bonding procedure of:</p> <ul> <li>PDMS on several substrates (glass, silicon wafer, SU-8);</li> <li>a polystyrene transparent top layer on sensors substrate.</li> </ul> <p>Data produced between from April 2017 to November 2017.</p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 4)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials. </a>Details about the data generation, validation, and metadata description can be found in our publication.</p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p>
Automatic learning of hydrogen-bond fixes in an AMBER RNA force field - dataset
<p>Supporting data related to manuscript "Automatic learning of hydrogen-bond fixes in an AMBER RNA force field"</p>
Data repository for "Interface rotation in Cu/Nb accumulative roll bonded (ARB) nanolaminates"
<p>Data repository for "Interface rotation in Cu/Nb accumulative roll bonded (ARB) nanolaminates"</p> <p>This repository contains raw experimental data for "Interface rotation in Cu/Nb accumulative roll bonded (ARB) nanolaminates" manuscript. Please refer to the manuscript for the data interpretation.</p> <p>The repository structure:</p> <ul> <li><code>CuNbARB-sample-photo.jpg</code> shows a photograph of as-received Cu(63nm)/Nb(63nm) accumulative roll bonded (ARB) nanolaminate sample</li> <li><code>ARB_63nm_DRX</code> contains X-ray diffraction measurements</li> <li><code>RD/TDXFIBmilling</code> folders contain focused ion beam images captured during pillar milling <ul> <li>In <code>RDX/TDX</code>, <code>X</code> refers to pillar number (see Supplementary information.org for the full pillar list). The numbers in the file names inside refer to the corresponding pillars.</li> </ul> </li> <li><code>RD/TDXSEMbefore</code> folders contain scanning electron (SEM) images of the as-fabricated pillars</li> <li><code>RD/TDX-compression</code> folders contain in situ pillar compression data, including some of the SEM images captured before/after the compression, raw load-displacement data (in <code>.hys</code> native Hysitron piconindenter format), load-displacement data exported to raw text (see Supplementary information for examples how to plot load-displacement using the raw text files), SEM videos, SEM videos combined with the load-displacement data, and accelerated videos</li> <li><code>RD/TDX-SEMafter</code> folders contain SEM images of the compressed pillars</li> <li>Supplementary-info folder contains supplementary information</li> </ul> <p>Author: I. Radchenko, W. Zhu, L. Qing, E. Navarro, R. Sahay, P.S. Lee, N. Raghavan, O. Thomas, A.S. Budiman, K. Chen</p>
Supporting Information for Disclosing Spin-Polarized Bonds on Isolable Molecules
<p>The file corresponds to the Bachelor Thesis of Ms. Elena Paulus. It contains the xyz coordinates of all optimized structures and their corresponding electronic energy in Hartree.</p>
Charting Hydrogen Bond Anisotropy
<p>Interaction energies of hydrogen bonded dimers using quantum mechanics. Each dome is a systematic scan of interaction geometries, where a target molecule is kept fixed, and a probe is moved in spherical coordinates. Collectively, the positions of the probe look like a dome over the target molecule. There are about 2000 geometries in each dome. The goal is to see how the interaction energy depends on the geometry of the interaction.<br> <br> </p>
CHARMM36M Force Field Parameters for the Thioester Bond between Cysteine and Glycine
<p>CHARMM36M force field parameters for the thioester bond connecting the side chain of a cysteine to the carbonyl of a C-terminal glycine.</p> <p>The dataset includes parameter and auxiliary files in GROMACS format. In addition, a short tutorial shows how to patch the CHARMM36M force field and use the parameters.</p> <p>These parameters have been developed for the parameterization and simulation of the Ubc6 ubiquitin complex, but can be used with any conparable system.</p> <p>Details about the parameterization are provided in:</p> <p><br><a href="https://www.embopress.org/doi/full/10.1038/s44318-024-00301-3">Swarnkar, Anuruti, Florian Leidner, Ashok K. Rout, Sofia Ainatzi, Claudia C. Schmidt, Stefan Becker, Henning Urlaub, Christian Griesinger, Helmut Grubmüller, and Alexander Stein. "Determinants of chemoselectivity in ubiquitination by the J2 family of ubiquitin-conjugating enzymes." <em>The EMBO Journal</em> (2024): 1-35.</a></p> <p> </p> <p> </p>
Bonding and Reactivity in Terminal versus Bridging Arenide Complexes of Thorium Acting as ThII Synthons
<p>This upload contains raw data (NMR, X-Ray, UV, IR, SQUID, EPR and Elemental Analysis) files for the article</p>
Penta-coordinated or -valent: the nature of the chemical bond of some Ti-C-Al compounds
<p>These folders contain the raw date which were used to prepare the above publication.<br> The zipfiles entitles compound-1.zip, compound-2.zip, and compound-3.zip contain the data for the computed compounds of the main publication. Please refer to that for further details. The zip-file xray.zip contains the original cif-file for convenience.<br> </p>
Binding site plasticity regulation of the FimH catch-bond mechanism: Molecular Dynamics dataset
<p>Dataset of Molecular Dynamics simulations and analysis scripts used in the article "Binding site plasticity regulation of the FimH catch-bond mechanism" [<a href="https://doi.org/10.1016/j.bpj.2023.05.029">paper</a>][<a href="https://doi.org/10.1101/2022.11.15.516604">bioRxiv</a>].</p> <p>Contains:</p> <ul> <li>Replica Exchange with Solute Scaling (REST2) simulations of the FimH protein lectin domain in its two main allosteric states (Associated and Separated), in presence and absence of its synthetic ligand heptyl α-ᴅ-mannose (input files and trajectories of the unscaled replicas)</li> <li>Replica Exchange Umbrella Sampling (REUS) simulations of the liganted systems along a collective variable (CV) describing binding site opening (input files and trajectories)</li> <li>REUS simulations in presence of a pulling force on the protein-ligand complex.</li> </ul> <p>See the article for more details.</p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 6)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials. </a>Details about the data generation, validation, and metadata description can be found in our publication.</p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 8)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials. </a>Details about the data generation, validation, and metadata description can be found in our publication.</p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 3)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials. </a>Details about the data generation, validation, and metadata description can be found in our publication.</p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 1)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials. </a>Details about the data generation, validation, and metadata description can be found in our publication.</p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p><p>Refer to README.md file instructions to reproduce the data.</p><p>This repository contains only part of the data due to size limitations. The rest of data can be found here:</p><ul><li><a href="https://doi.org/10.5281/zenodo.7852108">Part 2</a></li><li><a href="https://doi.org/10.5281/zenodo.7852792">Part 3</a></li><li><a href="https://doi.org/10.5281/zenodo.7852799">Part 4</a></li><li><a href="https://doi.org/10.5281/zenodo.7852807">Part 5</a></li><li><a href="https://doi.org/10.5281/zenodo.7852809">Part 6</a></li><li><a href="https://doi.org/10.5281/zenodo.7852821">Part 7</a></li><li><a href="https://doi.org/10.5281/zenodo.7852824">Part 8</a></li></ul><p> </p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 5)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials</a></p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p>
Quantum-Chemical Bonding Database (Unprocessed data : Part 2)
<p>This dataset is published as part of our publication: <a href="https://www.nature.com/articles/s41597-023-02477-5">A Quantum-Chemical Bonding Database for Solid-State Materials. </a>Details about the data generation, validation, and metadata description can be found in our publication.</p><p>Refer to mpids.txt to see data related to which compounds are available in the tar file. (mp-xxx refer to Materials Project ID)</p>
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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.