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62 results for “supramolecular”
Research Data supporting "Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization"
<p>Raw research data supporting the article E. Weyandt, L. Leanza, R. Capelli, G. M. Pavan, G. Vantomme, and E.W. Meijer, "Controlling the length of porphyrin supramolecular polymers via coupled equilibria and dilution-induced supramolecular polymerization".</p>
Encapsulation Enhances the Catalytic Activity of C-N Coupling: Reaction Mechanism of a Cu(I)/Calix[8]arene Supramolecular Catalyst - XYZ Structure files
<p>XYZ Structures corresponding to DOI: 10.1002/cctc.202200662</p>
Dataset for "Optical Monitoring of Supramolecular Interactions in Polymers"
<p>This dataset contains the raw data for the open-access, peer-reviewed article “Optical Monitoring of Supramolecular Interactions in Polymers” (<a href="https://doi.org/10.1002/anie.202405922">https://doi.org/10.1002/anie.202405922</a>). The accepted version of the article was first published online on June 11, 2024 in Angewandte Chemie International Edition (Wiley).</p>
Fatty Acids Reverse the Supramolecular Chirality of Insulin Fibrils
<h4>The data from the paper Fatty Acids Reverse the Supramolecular Chirality of Insulin Fibrils</h4> <div>Aidan P. Holman, Kimberly Quinn, Rakesh Kumar, Sebastian Kmiecik, Abid Ali, and Dmitry Kurouski</div> <div>The Journal of Physical Chemistry Letters <strong>2023</strong> <em>14</em> (30), 6935-6939</div> <p>DOI: 10.1021/acs.jpclett.3c01527</p>
Reports and Dataset of SUPRAMOLECULAR POLYMERS AS MOULDS FOR THE SYNTHESIS OF CHIRAL PLASMONIC NANOPARTICLES
<p>This dataset contains some research data on supramolecular polymers as templates for the synthesis of chiral plasmonic nanoparticles. Project PID2020-117885GA-I00, especifically the more related to the use of cysteine and cystine. </p>
Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis
<p>Data underlying the figures in the publication “Four-Step Access to the Sesquiterpene Natural Product Presilphiperfolan-1β-ol and Unnatural Derivatives via Supramolecular Catalysis”, published in <em>ChemCatChem,</em> <strong>2020</strong>, 12, 4512–4516. <a href="https://pubs.acs.org/doi/10.1021/jacs.0c01464">https://pubs.acs.org/doi/10.1021/jacs.0c01464</a></p> <p>Table of contents:</p> <p><strong>1. Crystals</strong>; Word file with the crystallographic data for compounds <strong>4</strong> and <strong>28</strong>.</p> <p><strong>2. Crystal_4</strong>; <em>.cif</em> file for crystal structure of compound <strong>4</strong>.</p> <p><strong>3. Crystal_28</strong>; <em>.cif</em> file for crystal structure of compound <strong>28</strong>.</p> <p><strong>4. Figure_2_NMRs</strong>; MestReNova file containing NMR spectra for compounds in <em>Figure 2.</em></p> <p><strong>5. Figure2_3_GCs</strong>; Zip file containing ASCII text raw data for GC traces relevant to <em>Figures 2</em> and <em>3</em>.</p> <p><strong>6. Figure4</strong>; Word file with the computational data for <em>Figure 4.</em></p> <p><strong>7. Procedures</strong>; Word file with the procedures for <em>Schemes 2 & 3 </em>and<em> Figures 2 & 3.</em></p> <p><strong>8. Scheme_2_NMRs</strong>; MestReNova file containing NMR spectra for compounds in<em> Scheme 2</em>.</p> <p><strong>9. Scheme3_NMRs</strong>; Zip file containing NMR spectra (as .mnova files) for <em>Scheme 3</em>.</p> <p> </p>
Selenoimidazolium Salts as Supramolecular Reagents for Protein Alkylation
<p>Data underlying the figures in the publication “Selenoimidazolium Salts as Supramolecular Reagents for Protein Alkylation”, published in <em>ChemBioChem</em>, <strong>2020</strong>, 21, 3515– 3520.</p> <p><a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cbic.202000557">https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cbic.202000557</a></p> <p>Table of contents:</p> <p><strong>1. Dataset</strong>; Zip file containing the MNOVA files for the <sup>1</sup>H and <sup>13</sup>C NMR spectra of compounds <strong>1-18</strong> in <em>Scheme 1</em>.</p>
Dataset for "Supramolecular aggregation control in polyoxometalates covalently functionalized with oligoaromatic groups"
<p>Spectroscopic datasets for "Supramolecular aggregation control in polyoxometalates covalently functionalized with oligoaromatic groups"</p> <p>Acknowledgement and Funding</p> <p>The authors gratefully acknowledge the Deutsche Forschungsgemeinschaft DFG for financial support (projects TRR 234 “CataLight”, project no: 364549901; SPP2102, “Light-controlled reactivity of metal complexes”, project no: 359737763, 494988281). S.K. gratefully acknowledges a LGFG PhD fellowship by the State of Baden-Württemberg.</p>
A supramolecular cucurbit[8]uril-based rotaxane chemosensor for the optical tryptophan detection in human serum and urine
<p>Dataset of the publication data. Raw and analyzed data included in each excel file.</p>
Dataset for "Supramolecular design of CO2-responsive lipid nanomaterials"
<p>This dataset provides the raw data supporting the paper: Supramolecular design of CO<sub>2</sub>-responsive lipid nanomaterials. It comprises SAXS data (Figure 4 on the manuscript), cryo-TEM images (Figure 5), Zeta-potential measurment (Table 1) and DLS data (Table1 and Figure S8).</p>
IMPORTANCIA DE LAS INTERACCIONES NO COVALENTES EN LOS ENSAMBLES SUPRAMOLECULARES
<p>Las interacciones moleculares no covalentes son las responsables en el ensamble y soporte de las estructuras tridimensionales que observamos en materiales sólidos y líquidos de nuestra vida cotidiana, así como también son responsables de diversos y sofisticados mecanismos moleculares a nivel biológico (Casas-Hinestroza et al., 2019). Por tal motivo, el reto de la investigación en el momento es lograr modular y/o direccionar los ensambles moleculares de manera racional a fin de desarrollar nuevos materiales con propiedades fisicoquímicas específicas(Velásquez-Silva et al., 2019). En este sentido, la química supramolecular se ha convertido en una de las áreas interdisciplinares con mayor interés y avance en las últimas dos décadas y por ello en este trabajo se presentan resultados de trabajos de investigación relacionados a la síntesis orgánica, la química analítica y la obtención de nuevos materiales donde las interacciones moleculares no covalentes y los ensambles supramoleculares son fundamentales para entender las potenciales aplicaciones que podrían derivar de estos trabajos.<br> En esta ponencia se presentan resultados de investigación donde se evidencia la importancia de las interacciones moleculares no covalentes en macrociclos polifenólicos derivados de pirogalol y resorcinol con cavidades expuestas para el diseño de ensambles de tipo huésped-hospedero aplicado a la detección de analitos como neurotransmisores y aminoácidos. Finalmente, se examina el papel de las interacciones moleculares en la síntesis de compuestos macro heterocíclicos con nitrógeno y oxígeno donde la mediación de interacciones no covalentes como enlaces de hidrógeno (Rivera et al., 2014) son fundamentales en el transcurso de la reacción de síntesis, así como su rendimiento y ensamble supramolecular.<br> </p>
Photoinduced Morphology Change in Ionic Supramolecular Block Copolymer
Open the record for dataset details and reuse information.
Nanoscale Phase Segregation in Supramolecular π‑Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography
<p>Raw and processed NMR data, molecular dynamics data, structure files, photovoltaic data, and additional characterisation data for Nanoscale Phase Segregation in Supramolecular π‑Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography, DOI: 10.1021/jacs.0c11563. For more details see README file. </p> <p>NMR_data.zip: Raw and processed NMR data in the file structure of the TopSpin software, which is available from Bruker. </p> <p>NMR_calculations.zip: The input and output Quantum Espresso files are given for both the single point (*.scf.in and *.scf.out) and NMR calculations (*.nmr.in and *.nmr.out).</p> <p>cif_files_all_structures.zip: All structures in cif format. </p> <p>MD_*.zip: MD trajectories of (PEA)2PbI4, (FEA)2PbI4 and configuration 1 of (PF)2PbI4. The full trajectories are given in dcd format which can be opened using the VMD software. The trajectories are also shown as movies. </p> <p>PV+characterisation.zip: The data for the photovoltaic analysis, XPS spectra and XRD patterns in Excel format. </p>
Observation of low-energy sub-gap states in a supramolecular electron spin lattice on superconducting Pb(111)
<p>Data set of the manuscript "Gate-tunable topological superconductivity in a supramolecular electron spin lattice"</p>
Theoretical simulations for: Emergence of exotic spin texture in supramolecular metal complexes on a 2D superconductor
<p>Here you will find the information necessary to reproduce the theoretical data published on "Emergence of Exotic Spin Texture in Supramolecular Metal Complexes on a 2D Superconductor" paper</p> <p>It contains:</p> <ol> <li>the geometries used in the DFT calculations</li> <li>inputs and outputs of the multiplet calculations implemented on matlab</li> </ol>
Research Data supporting "Cooperative Supramolecular Block Copolymerization for the Synthesis of Functional Axial Organic Heterostructures"
<p>Raw research data supporting the article A. Sarkar, T. Behera, R. Sasmal, R. Capelli, C. Empereur-mot, J. Mahato, S. S. Agasti, G. M. Pavan, A. Chowdhury, S. J. George "Cooperative Supramolecular Block Copolymerization for the Synthesis of Functional Axial Organic Heterostructures".</p>
Using transient equilibria (TREQ) to measure the thermodynamics of slowly assembling supramolecular systems
<p>Supramolecular chemistry involves the non-covalent assembly of monomers into materials with unique properties and wide-ranging applications. Thermal analysis is a key analytical tool in this field, as it provides quantitative thermodynamic information on both the structural stability and nature of the underlying molecular interactions. However there exist many supramolecular systems whose kinetics are so slow that the thermodynamic methods currently applied are unreliable or fail completely. We have developed a simple and rapid spectroscopic method for extracting accurate thermodynamic parameters from these systems. It is based on repeatedly raising and lowering the temperature during assembly and identifying the points of transient equilibrium as they are passed on the up- and down-scans. In a proof-of-principle application to the co-assembly of polydeoxyadenosine containing 15 adenosines (polyA) and cyanuric acid (CA), we found that roughly 30% of the CA binding sites on the polyA chains were unoccupied, with implications for high-valence systems.</p>
Mimicry of the Proton Wire Mechanism of Enzymes Inside a Supramolecular Capsule Enables β-Selective O-Glycosylations
<p>Data underlying the figures in the publication “Mimicry of the proton wire mechanism of enzymes inside a supramolecular capsule enables β-selective O-glycosylations”, published in <em>Nature Chemistry</em>.</p> <p>Table of contents:</p> <p><strong>1. Figure 1</strong>: An editable chemdraw graphic of <em>Figure 1</em>.</p> <p><strong>2. Figure 2</strong>: .zip archive containing an editable chemdraw graphic of <em>Figure 2</em>, and NMR spectra of compounds 7 and 9.</p> <p><strong>3. Figure 3</strong>: .zip archive containing an editable chemdraw graphic of <em>Figure 3</em>, and source data underlying <em>Figures 3a</em>, <em>3c</em> and <em>3d</em>.</p> <p><strong>4. Figure 4</strong>: .zip archive containing an editable chemdraw graphic of <em>Figure 4</em>, NMR spectra of <em>Figure 4c</em> and source data underlying <em>Figures 4d</em> and <em>4e</em>.</p> <p><strong>5. Figure 5</strong>: .zip archive containing an editable chemdraw graphic of <em>Figure 5</em>, and NMR spectra of compounds 26-31, S8 and S9.</p> <p><strong>6. Table 1</strong>: .zip archive containing an editable chemdraw graphic of <em>Table 1</em>, and NMR spectra of all compounds shown in <em>Table 1</em>.</p>
Dataset of "Strain-correlated mechanochromism in different polyurethanes featuring a supramolecular mechanophore"
<p>Primary data of the study reported in this publication</p>
Dataset of Supramolecular Rings as Building Blocks for Stimuli-Responsive Materials
<p>Primary data of the study reported in this publication</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.