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689 results for “crystals”
→ Fig. 10. FESEM images of the test structure in lagenid foraminifers from Recent, Admiralty Bay, King George Island, West Antarctica (A) and from the Jurassic of Gnaszyn, Poland (B, C). A. Unilocular Procerolagena gracilis Williamson, 1848, MWGUW ZI/67/44/02. B. Unilocular Lagena globosa Montagu, 1803, MWGUW ZI/67/61/09. C. Uniserial Nodosaria pulchra Franke, 1936, MWGUW ZI/67/61/26. Oblique cross-sectional views (A1, A2, A4, B1, B2, C); transverse cross-sectional views, showing single-crystal interlocked bundle structures, inner pores which extend along the entire length of the bundles as well as prominent calcite cleavage (A3, B3). Abbreviations: c, prominent calcite cleavage; ip, inner pore. in Chamber arrangement versus wall structure in the high-rank phylogenetic classification of Foraminifera
→ Fig. 10. FESEM images of the test structure in lagenid foraminifers from Recent, Admiralty Bay, King George Island, West Antarctica (A) and from the Jurassic of Gnaszyn, Poland (B, C). A. Unilocular Procerolagena gracilis Williamson, 1848, MWGUW ZI/67/44/02. B. Unilocular Lagena globosa Montagu, 1803, MWGUW ZI/67/61/09. C. Uniserial Nodosaria pulchra Franke, 1936, MWGUW ZI/67/61/26. Oblique cross-sectional views (A1, A2, A4, B1, B2, C); transverse cross-sectional views, showing single-crystal interlocked bundle structures, inner pores which extend along the entire length of the bundles as well as prominent calcite cleavage (A3, B3). Abbreviations: c, prominent calcite cleavage; ip, inner pore.
Raw diffraction data for CCDC 2364133 – crystal structure of 2,2'-[ethane-1,2-diylbis(sulfanediyl)]bis(2-methyl-1,4-dithiane)
<p>X-ray diffraction data from a single crystal of 2,2'-[ethane-1,2-diylbis(sulfanediyl)]bis(2-methyl-1,4-dithiane)</p>
Supporting data for "Benchmarking the integration of hexagonal boron nitride crystals and thin films into graphene-based van der Waals heterostructures"
<p>Dataset for the publication "Benchmarking the integration of hexagonal boron nitride crystals and thin films into graphene-based van der Waals heterostructures"</p>
Dataset of the publication: Effect of Nonconstituent Additive Ions on the Controlled Crystallization of Lanthanide-Based Preyssler Polyoxometalates
<p>Dataset of the publication: Effect of Nonconstituent Additive Ions on the Controlled Crystallization of Lanthanide-Based Preyssler Polyoxometalates</p> <p>DOI: 10.1021/acs.cgd.3c00046</p> <p>Gómez-Muñoz, I; Dey, C; Coronado, E</p> <p>Cryst. Growth Des. 2023, 23, 5, 3544–3548</p>
CrysAtom: Distributed Representation of Atoms for Crystal Property Prediction
<div> <div> <p>Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in significant advancements in the last decade. These techniques led to notable performance enhancements in different tasks such as protein structure prediction, drug-target binding affinity prediction, and molecular property prediction. In material science literature, it is well-known that crystalline materials exhibit topological structures. Such topological structures may be represented as graphs and utilization of graph neural network (GNN) based approaches could help encoding them into an augmented representation space. Primarily, such frameworks adopt supervised learning techniques targeted towards downstream property prediction tasks on the basis of electronic properties (formation energy, bandgap, total energy, etc.) and crystalline structures. Generally, such type of frameworks rely highly on the handcrafted atom feature representations along with the structural representations. In this paper, we propose an unsupervised framework namely, CrysAtom, using untagged crystal data to generate dense vector representation of atoms, which can be utilized in existing GNN-based property predictor models to accurately predict important properties of crystals. Empirical results show that our dense representation embeds chemical properties of atoms and enhance the performance of the baseline property predictor models significantly.</p> </div> </div>
Dataset for Diamond-coated quartz crystal microbalance sensors: Challenges in high yield production and enhanced detection of ethanol and sars-cov-2 proteins
<p>The data set to paper: </p> <p>Name: Diamond-coated quartz crystal microbalance challenges in mass production and enhanced detection of ethanol and sars-cov-2 proteins</p> <p>Authors: Tibor Izsák1*, Marian Varga1, Michal Kočí2,3, Ondrej Szabó2, Katarína Aubrechtová Dragounová2, Gabriel Vanko2, Miroslav Gál4, Jana Korčeková5, Michaela Hornychová 4, Alexandra Poturnayová5, Alexander Kromka2*</p> <p>Affiliations: 1 Department of Microelectronics and Sensors, Institute of Electrical Engineering, Slovak Academy of Sciences, Dúbravská Cesta 9, Bratislava, 841 04, Slovak Republic<br> 2 Department of Semiconductors, Institute of Physics of the Czech Academy of Sciences, Cukrovarnicka 10/112, Prague 6 162 00, Czech Republic<br> 3 Department of Microelectronics, Faculty of Electrical Engineering, Czech Technical University in Prague, Technická 2, Prague 6, 166 27, Czech Republic<br> 4 Faculty of Chemical and Food Technology, Slovak University of Technology, Bratislava, Slovak Republic<br> 5 Center of Biosciences, Institute of Molecular Physiology and Genetics, Slovak Academy of Sciences, Bratislava, Slovak Republic<br> *corresponding author: tibor.izsak@savba.sk</p> <p>Data manager: Kristýna Dostálová: dostalovak@fzu.cz</p> <p>Date of collection: 1. 5. 2023 - 31. 7. 2024</p> <p>Description: Figure 1: Photos of QCM substrates oriented horizontally or vertically on the substrate holder in the deposition chamber (left) and during the diamond CVD process with ignited plasma (right).<br> Figure 2: a) 3D model of the measurement setup and b) photograph of the open gas chamber with embedded QCM sample.<br> Figure 3: Photo of the a) measurement setup and b) disassembled flow cell with V-Dia-QCM. c) Side view photo of the assembled flow cell in the measurement setup.<br> Figure 4: a) SEM images revealing surface morphology and b) corresponding Raman spectra of Dia-QCM and Dia-Si substrates horizontally or vertically oriented on the substrate holder and corresponding optical photos. There is also the Raman spectrum of the bare QCM (Au-QCM) sample before the diamond deposition.<br> Figure 5: a) Raman spectra and b) SEM images depicting surface morphology of porous diamond film grown on Si (H-PorDia-Si) and QCM (H-PorDia-QCM) substrate. The inset in Fig. 5a represents the optical photo of diamond-coated QCM. Note: ‘H-’ in sample names means horizontally loaded samples.<br> Figure 6: The response delta fR of diamond-coated QCM sensors horizontally and vertically oriented, i.e., single-sided and double-sided diamond-coated QCMs, when applying periodic switching (at 3-minute intervals) of ethanol vapour (E) with various concentrations (from 10 ppm to 100 ppm) and synthetic air (Air).<br> Figure 7: a) First resonant frequency shift (delta fR) of individual QCM sensors and b) mean values of delta fR with corresponding error bars for each QCM sensor group dependent on ethanol concentration.<br> Figure 8: a) The changes of the resonant frequency, delta fR, after the addition of neutravidin (NA) dissolved in water, biotinylated 1C aptamers (1C APT) dissolved in PBS with MgCl2, and 50 pg/mL S-RBD protein in PBS. The addition of neutravidin, aptamers, proteins, and surface washings by water (H2O) or buffer (PBS) are highlighted by arrows. b) Zoom in on the highlighted area in Fig. 8a.<br> Figure 9: Decrease of the resonant frequency, fR, at various S-RBD protein concentrations. The comparison of the sensitivity of diamond and gold QCM surfaces on which S-RBD was determined is indicated in the graph legend.</p>
BAM Reference Data: Creep of Single-Crystal Ni-Based Superalloy CMSX-6
<p>This publication provides comprehensive metadata and test results of constant force creep tests according to <br>DIN EN ISO 204:2019-4 on the single crystal Ni-based superalloy CMSX-6 at T = 980 °C and initial stresses<br>between 140 MPa and 230 MPa. The tests were carried out in an accredited test laboratory using calibrated <br>measuring equipment. The data were audited and are BAM reference data.</p>
Hyperbolic Shear Polaritons in Low-Symmetry Crystals - Experimental Data
<p>Data for Nature <strong>602</strong>, pages 595–600 (2022), https://doi.org/10.1038/s41586-021-04328-y</p> <p>preprint: https://doi.org/10.21203/rs.3.rs-558805/v1</p> <p>Contents:</p> <p>isotfrequency_surfaces.nb: Mathematica scripts generating Fig. 1c,d<br> raw_data.zip: contains all experimental raw data, lab book entries, and raw data preprocessing scripts.<br> SiO2_data.zip: experimental data analysis and simulations leading to Fig. 2b,c <br> bGO_data.zip: experimental data analysis and simulations leading to Fig. 2d,e<br> bGO_inplane_data.zip: experimental data analysis and simulations for inplane dispersion, Fig. 2f-j</p> <p>Please note that parts of the analysis code use the transfer matrix code developed in the Paarmann group (https://pc.fhi-berlin.mpg.de/latdyn/), see: https://doi.org/10.5281/zenodo.3648040. The code is included again here. However, the dielectric tensor of Gallium Oxide was not part of the previous code and only implemented here. </p> <p>Please contact Alex Paarmann (alexander.paarmann@fhi-berlin.mpg.de) if you have any questions.</p>
Topological Liquid Crystal Superstructures as Structured Light Lasers
<p>Data associated with the paper titled "Topological Liquid Crystal Superstructures as Structured Light Lasers".</p>
Preliminary neutron data for cryotrapping peroxide in the active site of human mitochondrial manganese superoxide dismutase crystals for neutron diffraction
<p>The files are preliminary refined neutron coordinates and data on a cryotrapped peroxo species at the active site of human manganese superoxide dismutase crystals.</p>
Diffraction images of a crystal of the F-BAR domain of PSTPIP1 (Proline-serine-threonine phosphatase-interacting protein 1) mutant G258A (PDB entry 7AAL)
<p>Diffraction images of a crystal of the F-BAR domain of PSTPIP1 (residues 1-289), mutant G258A.</p> <p>Data were collected on a single crystal at the beamline i03 of the Diamond Light Source synchrotron (Didcot, UK) using radiation of 0.9999 Å wavelength and a PILATUS3 6M detector. The dataset consists of 2400 images (0.15 degree oscillation per image). Crystals belong to the space group P2(1)2(1)2(1) with unit cell dimensions a=48.19 Å, b=73.02 Å, c=205.25 Å. The asymmetric unit contains an homodimer of the F-BAR domain (~53% solvent content), which is the biological unit.</p> <p>Diffraction data was notably anisotropic. The lowest resolution limit was 2.92 Å in the direction b* and the highest limits were 1.97 Å and 2.09 in the directions a* and c*, respectively.</p> <p> </p> <p>The structure derived form these data is published in:</p> <p>Manso, J.A., Marcos, T., Ruiz-Martín, V. Casas J, Alcón P, Sánchez Crespo M, Bayón Y, de Pereda JM, Alonso A <em>PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders</em>. <strong>Cell. Mol. Life Sci</strong>. 79, 131 (2022). <a href="https://doi.org/10.1007/s00018-022-04173-w">https://doi.org/10.1007/s00018-022-04173-w</a></p> <p>The structure is available at the PDB under the code 7AAL:</p> <p><a href="https://www.ebi.ac.uk/pdbe/entry/pdb/7aal">https://www.ebi.ac.uk/pdbe/entry/pdb/7aal</a></p>
Diffraction images of a crystal of the F-BAR domain of PSTPIP1 (Proline-serine-threonine phosphatase-interacting protein 1) bound to the C-terminal homology (CTH) segment of the phosphatase LYP (PTPN22) (PDB entry 7AAM)
<p>Diffraction images of a crystal of the F-BAR domain of human PSTPIP1 (residues 1-289, Uniprot reference O43586-1) in complex with the CTH of LYP (residues 787-807, Uniprot Q9Y2R2-1).</p> <p>Data were collected on a single crystal at the beamline i03 of the Diamond Light Source synchrotron (Didcot, UK) using radiation of 0.99987 Å wavelength and a PILATUS3 6M detector. The dataset consists of 3 groups, each containing of 1800 images (0.1 degree oscillation per image), collected at three different positions of the same crystal. Crystal belongs to the space group P2(1)2(1)2(1) with unit cell dimensions a=48.0 Å, b=72.0 Å, c=205.0 Å. The asymmetric unit contains an homodimer of the F-BAR domain bound to a LYP-CTH (~53% solvent content), which is the biological complex.</p> <p>Diffraction data was notably anisotropic. The lowest resolution limit was 4.05 Å in the direction b* and the highest limits were 2.11 Å and 2.10 in the directions a* and c*, respectively.</p> <p> </p> <p>The structure derived form these data is published in:</p> <p>Manso, J.A., Marcos, T., Ruiz-Martín, V. Casas J, Alcón P, Sánchez Crespo M, Bayón Y, de Pereda JM, Alonso A <em>PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders</em>. <strong>Cell. Mol. Life Sci</strong>. 79, 131 (2022). <a href="https://doi.org/10.1007/s00018-022-04173-w">https://doi.org/10.1007/s00018-022-04173-w</a></p> <p>The structure is available at the PDB under the code <strong>7AAM</strong>:</p> <p><a href="https://www.ebi.ac.uk/pdbe/entry/pdb/7aam">https://www.ebi.ac.uk/pdbe/entry/pdb/7aam</a></p>
Diffraction images of a crystal of the F-BAR domain of PSTPIP1 (Proline-serine-threonine phosphatase-interacting protein 1) (PDB entry 7AAN)
<p>Diffraction images of a crystal of the F-BAR domain of PSTPIP1 (residues 1-289).</p> <p>Data were collected on a single crystal at the beamline i03 of the Diamond Light Source synchrotron (Didcot, UK) using radiation of 0.99987 Å wavelength and a PILATUS3 6M detector. The dataset consists of 3600 images (0.15 degree oscillation per image) that were collected: 2400 at one position and the other 1200 at a second site in the same crystal. Crystal belongs to the space group P2(1)2(1)2(1) with unit cell dimensions a=48.3 Å, b=71.9 Å, c=204.6 Å. The asymmetric unit contains an homodimer of the F-BAR domain (~53% solvent content), which is the biological unit.</p> <p>Diffraction data was notably anisotropic. The lowest resolution limit was 4.32 Å in the direction b* and the highest limits were 2.12 Å and 2.17 in the directions a* and c*, respectively.</p> <p>The structure derived form these data is published in:</p> <p>Manso, J.A., Marcos, T., Ruiz-Martín, V. Casas J, Alcón P, Sánchez Crespo M, Bayón Y, de Pereda JM, Alonso A <em>PSTPIP1-LYP phosphatase interaction: structural basis and implications for autoinflammatory disorders</em>. <strong>Cell. Mol. Life Sci</strong>. 79, 131 (2022). <a href="https://doi.org/10.1007/s00018-022-04173-w">https://doi.org/10.1007/s00018-022-04173-w</a></p> <p>The structure is available at the PDB under the code <strong>7AAN</strong>:</p> <p><a href="https://www.ebi.ac.uk/pdbe/entry/pdb/7aan">https://www.ebi.ac.uk/pdbe/entry/pdb/7aan</a></p>
Racemic crystal structures of A-DNA duplexes
<p>X-ray diffraction data collected for d/l-d(CCCGGG) crystals at IECB, using a microfocus rotating anode Rigaku FRX diffractometer, with Cu Kα radiation and a hybrid pixel detector (Dectris Pilatus 200K). </p> <p>PDB ID: 6GN2</p> <p>PDB Title: Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group R3bar </p> <p>PDB DOI: http://doi.org/10.2210/pdb6GN2/pdb</p>
Racemic crystal structures of A-DNA duplexes
<p>X-ray diffraction data collected for d/l-d(CCCGGG) crystals at IECB, using a microfocus rotating anode Rigaku FRX diffractometer, with Cu Kα radiation and a hybrid pixel detector (Dectris Pilatus 200K).</p> <p>PDB ID: 6GN3</p> <p>PDB Title: Racemic crystal structure of A-DNA duplex formed from d(CCCGGG) in space group P21/n</p> <p>PDB DOI: http://doi.org/10.2210/pdb6GN3/pdb</p>
Research Data supporting "Pachyrhynchus weevils use 3D photonic crystals with varying degrees of order to create diverse and brilliant displays"
<p>The research data is arranged into different folders containing the following files (.txt, .tif, .xlsx files; <em>italics</em>). This data and the descriptions below should be read in conjunction with the manuscript and “Supporting Info”, both of which may be found at the following DOI: 10.1002/smll.202200592.</p>
The dataset by "Spectrally Consistent Scattering, Absorption, and Polarization Properties of Atmospheric Ice Crystals at Wavelengths from 0.2 to 100 μm"
<p>This is the ice crystal single-scattering property dataset introduced in the paper "Yang, Ping, et al. "Spectrally consistent scattering, absorption, and polarization properties of atmospheric ice crystals at wavelengths from 0.2 to 100 μ m." <em>Journal of the Atmospheric Sciences</em> 70.1 (2013): 330-347.".</p>
Data for "Emergent parametric resonances and time-crystal phases in driven Bardeen-Cooper-Schrieffer systems"
<p>These files contain the data for the article "Emergent parametric resonances and time-crystal phases in driven Bardeen-Cooper-Schrieffer systems" (https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.3.L042023). In each .zip file, it is possible to find not only the relevant data but also a script (.sh file extension) to generate each one of the 6 figures shown in the paper and Supplemental Material. The file "Phasediagram.zip" contains the data corresponding to the dynamical phase diagrams (Fig. 1). Here there are two separated folders with the data for the phase diagram of a parametric oscillator and a periodically driven Bardeen-Cooper-Schrieffer system. The data for the representative dynamics and Fourier Transforms outside and inside Arnold's tongues can be found in the files "DynamicsandFT_outsidetheArnoldtongues.zip" and "DynamicsandFT_insidetheArnoldtongues.zip" respectively. We have also included all the necessary data to reproduce the figures shown in the Supplemental Material in the files "robustness_timecrystal_and_timequasicrystal.zip", "Floquetspectrum_timecrystalregime.zip" and "phasediagram_differenttimewindows.zip". For all the .txt files inside the .zip files, we have added at the top of each column a brief description of the data recorded below. Some abbreviations have been used and read as follows: "wd" means drive frequency, "Delta" indicates the superconducting order parameter, and "\xi_k" means the quasiparticle energy.</p> <p> </p>
MD simulation of the crystal unit cell of the second PDZ domain of LNX2 protein
<p>This molecular dynamics simulation data is provided as part of the manuscript "<strong>LAWS: Local Alignment for Water Sites - a method to analyze crystallographic water in simulations</strong>". The code for the algorithm is provided: <a href="https://github.com/rauscher-lab/LAWS">on github</a><br> <br> The system contains one unit cell of the crystal (PDB ID: 5E11) with 4 symmetrically related protein chains. The total simulation length is 1 microsecond. </p> <p><strong>Force field + water model</strong>: CHARMM36m + CHARMM-modified TIP3P<br> <strong>Number of atoms</strong>: 9650<br> <strong>Number of time frames:</strong> 100,000 with 10-ps stride<br> <em>The details of the simulations are provided in the manuscript.</em></p>
Crystal size and texture data of sea ice from the Antarctic Marginal Ice Zone collected in Winter 2019
<p>This dataset details the crystal size and texture data from the sea ice cores collected during the SCALE Winter 2019 voyage to the Antarctic Marginal Ice Zone. Each sample collected has a series of accompanying photograph figures from which the crystal size and texture are based. </p>
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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.