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689 results for “crystals”
Data for Deep Reactive Ion Etching of Cylindrical Nanopores in Silicon for Photonic Crystals
<p>Data for Deep Reactive Ion Etching of Cylindrical Nanopores in Silicon for Photonic Crystals</p>
Data For Topological supermodes in Photonic Crystal Fibre
<p>Experimental Data and corresponding simulation data for main text of manuscript.</p>
A Putative New Role of Tv-PSP1 Recognizes IRE and ERE Hairpin Structures from Trichomonas vaginalis. Figure S1. Tv-PSP1 crystal packing. Figure S2. Tv-PSP1 secondary structure and general topology.
<p>Figure S1. Tv-PSP1 crystal packing. Crystal packing of the hexagonal space group P63 with cell dimensions<br> a=81.9 Å, b=81.9 Å, c=129.3 Å, and γ=120°. A) Trimer A in Grey surface is around the threefold axis symbol. B)<br> Trimer D in blue steel color, this trimer is under Trimer A on the same threefold axis. The trimer D on the final<br> structure is not visible in a large part of the structure, only are visible the fragments in contact with monomer A,<br> here was built a complete Trimer from previous refinement process to illustrate the position on the crystal.<br> C)Trimer B in green color is around the threefold axis symbol in the symmetric object of the twofold screw axis<br> of the cell. D)Trimer C in orange color is around the sixfold axis symbol. Figure was made in VMD program [39]. ID PDB: 7KGC.</p> <p> </p> <p>Figure S2. Tv-PSP1 secondary structure and general topology. A) Tv-PSP1 secondary structure of the<br> asymmetric unit monomers obtained with VMD program [39]. Marginal differences are observed on the L1 and<br> L7. B) General topology of the monomer A structure. Beta strands in yellow color, 3-10 helixes in blue color, alfa<br> helixes in magenta color, turns and coil in green color.</p>
Data set for phase-field simulation of epitaxial crystal growth in open fractures with lateral flow
<p>The numerical data in this repository consists of the simulation data of epitaxial crystal growth in open fractures with lateral flow. The simulations were performed using the software package named "Pace3D".</p> <p>The simulation data shows the grain structure, the concentration field and the fluid flow velocity in stream direction (if present) at intermediate stages. It was converted from the Pace3D output data format to VTK data format. The VTK files can be visualized using open source software packages like Paraview. For visualization the data has to be decompressed (e.g. with gzip, 7zip).</p>
Growth of Zinc Crystals in eGaIn Wetted to a Zinc Surface
<p>Zinc crystals (dark phase) growing in liquid eutectic gallium indium (right half of the video) wetted to a zinc specimen. On the left side of the video, grains in the zinc specimen can be seen changing shape. </p>
Case studies from doubleHelix: nucleic acid sequence identification, assignment and validation tool for cryo-EM and crystal structure models
<p>Case studies from "doubleHelix: nucleic acid sequence identification, assignment and validation tool for cryo-EM and crystal structure models"</p>
Case studies from: Sequence assignment validation in protein crystal structure models with checkMySequence
<p>Case studies from "Sequence assignment validation in protein crystal structure models with checkMySequence"</p>
FIG. 2 in Clearing up the Crystal Ball: Understanding Uncertainty in Future Climate Suitability Projections for Amphibians
FIG. 2.—Mean predicted change in suitable climate for amphibian species by citation and model parameters from the meta-analysis. Points represent means and bars represent 95% confidence intervals. Mean predicted change in suitable climate was calculated for each amphibian order within each study for each of the model settings, including Representative Concentration Pathway, Year, and Dispersal Limitation. Triangles indicate estimates from the case study, and circles indicate all other studies. A color version of this figure is available online.
FIG. 1 in Clearing up the Crystal Ball: Understanding Uncertainty in Future Climate Suitability Projections for Amphibians
FIG. 1.—Map of countries for which suitable climate has been projected under future climate scenarios for at least one amphibian species. Colors represent the number of studies in which a given country was included. A color version of this figure is available online.
FIG. 3 in Clearing up the Crystal Ball: Understanding Uncertainty in Future Climate Suitability Projections for Amphibians
FIG. 3.—Percent change in climate suitability predicted for each species in the case study. For each species, predicted percent change in climate suitability is shown for the year 2050 under 13 general circulation models and two representative concentration pathways (2.6, 8.5) climate scenarios for both the default Maxent species distribution models (SDMs; regularization multiplier ¼ 1; open red boxes) and the best-fit SDM (Akaike information criterion; ΔAICc ¼ 0; shaded blue boxes) for three levels of dispersal: no dispersal, limited, or unlimited. Boxplots show median, interquartile range, and minimum and maximum values. A color version of this figure is available online.
Unambiguous Identification of Crystal Plasticity Parameters from Spherical Indentation
<p>The main results are in folders Population1 and Population2 (that correspondes to initial Popolation 1 and 2, respectively). Each of them contains 3 folders with the results for the investigated cases). The other two folders contain the sensitivity analysis and analysis of the influence of friction. In order to run the simulations one has to first have Wolfram Mathematica with the AceFEM package installed. Running each optimization is possible using the EA.nb file. Running the sensitivity analysis is possible using the Sensitivity.nb file. In order to run the friction analysis one has to run virgin.nb file for each firction coefficient value. Analysis of the results is possible using the Podsumowanie.nb file in each folder. There are several codes used to conduct the simulations. In case of using the contact code one should cite Kucharski, S., S. Stupkiewicz, and H. Petryk. "Surface pile-up patterns in indentation testing of Cu single crystals." Experimental Mechanics 54 (2014): 957-969. In case of using the hanging nodes formulation one should cite: Frydrych, Karol. "Crystal plasticity finite element simulations of the indentation test." Comput. Methods Mater. Sci 19 (2019): 41-49. In case of using the crystal plasticity code one should cite: Kucharski, S., S. Stupkiewicz, and H. Petryk. "Surface pile-up patterns in indentation testing of Cu single crystals." Experimental Mechanics 54 (2014): 957-969. AND Lewandowski, M. J., and S. Stupkiewicz. "Size effects in wedge indentation predicted by a gradient-enhanced crystal-plasticity model." International Journal of Plasticity 109 (2018): 54-78. AND Frydrych, Karol, and Katarzyna Kowalczyk-Gajewska. "Grain refinement in the equal channel angular pressing process: simulations using the crystal plasticity finite element method." Modelling and Simulation in Materials Science and Engineering 26.6 (2018): 065015.</p>
Resolved crystal structure CCDC 2226587 reported to J. Mol. Struct. 1284 (2023) 135362 in space group P21/n
<p>Contribution M. Lutz, J. Mol. Struct. 1284 (2023) 135362 has reported crystal structural determination of zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate (CCDC 2226587) solved in noncentrosymmetric P21 space group.</p> <p>The ADDSYM test assumes a centrosymmetric P21/n space group (<strong>Figure 1</strong>.)</p> <p>Consider the original 2226587.cif of work M. Lutz, J. Mol. Struct. 1284 (2023) 135362. Its checkcif according to [https://checkcif.iucr.org/] indicates PLAT111_ALERT_2_G: ADDSYM Detects New (Pseudo) Centre of Symmetry, showing 85 %Fit (see 2226587_P21_checkcif.pdf.)</p> <p>The issue has not been addressed by the author of paper J. Mol. Struct. 1284 (2023) 135362. </p> <p> </p> <p>The author of the current contribution, who is also co-author of work B. Ivanova, M. Spiteller, J. Mol. Struct. 1248 (2022) 131488, cited by the author of work J. Mol. Struct. 1284 (2023) 135362, resolved the structure (CCDC 2226587; 2226587.cif,) using only the data on 2226587.cif into suggested P21/n space group (2226587_P21-n.cif); thus, lacking discrepancy with the ADDSYM test (<strong>Figures 2</strong> and <strong>3</strong>.)</p> <p>Consider 2226587_P21-n_res.txt, 2226587_P21-n.cif, and 2226587_P21-n_lst.txt files.</p> <p> </p> <p> </p> <p>Description of files:</p> <p>2226587.cif</p> <p>(Deposited to Cambridge crystallographic database [https://www.ccdc.cam.ac.uk/] structural solution of zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate (CCDC 2226587) as reported to M. Lutz, J. Mol. Struct. 1284 (2023) 135362).</p> <p> </p> <p>2226587_P21_checkcif</p> <p>(Checkcif data on structural solution of zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate (CCDC 2226587) as reported to M. Lutz, J. Mol. Struct. 1284 (2023) 135362.)</p> <p> </p> <p>2226587_P21-n.cif</p> <p>(<em>Crystallographic</em> information <em>file of </em>zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate resolved into P21/n space group by the author of the current contribution.)</p> <p> </p> <p>2226587_P21-n_res.txt</p> <p>(SHELX res file <em>of </em>zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate resolved into P21/n space group by the author of the current contribution; There remains unresolved: Q1 1 0.4226 0.5026 0.4999 11.00000 0.05 8.23.)</p> <p> </p> <p>2226587_P21-n_lst.txt</p> <p>(SHELX lst file <em>of </em>zinc(II) bis((1R,2R)-1,2-diaminocyclohexane) dinitrate resolved into P21/n space group by the author of the current contribution.)</p> <p> </p>
Crystal shape of Ranolazine bulk drug
<p>Crystal different shape was observed.</p>
Structure Databases: Analysis and Augmentation of Guest-Host Interaction Energy Models as CHA and AEI Zeolite Crystallization Phase Predictors
<p>Structures and energies associated with the paper: Analysis and Augmentation of Guest-Host Interaction Energy Models as CHA and AEI Zeolite Crystallization Phase Predictors</p>
Supporting data for "Conformational and state-specific effects in reactions of 2,3-dibromobutadiene with Coulomb-crystallized calcium ions"
<p>Supporting data for "Conformational and state-specific effects in reactions of 2,3-dibromobutadiene with Coulomb-crystallized calcium ions”, Phys. Chem. Chem. Phys (2023), DOI: 10.1039/D3CP01416A</p>
High-Pressure Single-Crystal Elasticity of Corundum: Implication for Multiple Seismic Structure of 660-km Discontinuity
<p>Here are the experimental data.</p>
Supporting data for the manuscript: Sound velocity anisotropy and single-crystal elastic moduli of MgO to 43 GPa
<p><span>The uploaded two sets of experimental data contain the raw TDBS signals recorded at each pressure step for the MgO [100] and [111] samples. Please note that each ".txt" file contains two columns of data, the first column is time in picosecond, the second column is the relative change of reflectivity.</span></p> <p><span>The uploaded Tables "Table MgO 100" and "Table MgO 111" summarize our processed experimental data, as well as the recently measured refractive indexes and accordingly the derived longitudinal sound velocities. In which, the pressures are given in GPa, Brillouin frequencies in GHz, longitudinal sound velocities </span><em><span>V</span></em><span>L<100> </span><span>and </span><em><span>V</span></em><span>L<</span><span>111></span><span> in km/s. Refractive indexes are dimensionless.</span></p>
Single-Scattering property database of randomly oriented very complex ice crystals in the microwave
<p>A database consisting of the single-scattering properties of budding rosette aggregates and rosette aggregates calculated at frequencies in the mm-wave and sub-mm-wave regions of the electromagnetic spectrum. The full set of single-scattering properties have been made available at the temperatures of -83 degree C, -43 degree C, and -3 degree C at the frequencies of 50, 183 and 243 GHz. Other frequencies will become available once completed in the sub-mm-wave region of the spectrum. The maximum dimensions of the ice crystals vary between 10 and 10,000 microns. The accompanying data is made available under the terms of the Non-Commercial Government License https://www.nationalarchives.gov.uk/doc/non-commercial-<br> government-licence/version/2/</p>
Data from Anomalous Ferromagnetic Phase in the Gd1-xErxB4 Series: Crystal Growth, Thermal and Magnetic Properties
<p>This upload contains all the dataset used to prepare the paper "Anomalous Ferromagnetic Phase in the Gd1-xErxB4 Series: Crystal Growth, Thermal and Magnetic Properties"</p>
Primary X-ray diffraction data for the study "Femtosecond X-ray snapshots reveal correlated displacements of specific distal atoms in a protein crystal"
<p>The data set contains the primary X-ray diffraction data collected at the FemtoMAX beamline from bovine trypsin crystals at room temperature (motor gony). Every image represents a 150 fs X-ray pulse diffracting on the crystal. The photon energy was 11.15 keV (ΔE/E = 0.01), approximately 1 × 10<sup>7</sup> photon/pulse. The images are stored in compressed numpy file format and the float pixels values describe energy in keV as generated by the time-over-threshold technique. The odd numbered images were recorded without a preceding THz pulse and the even numbered images were recorded after a single cycle THz pulse (2.1 THz peak, FWHM 2 THz) with approximately 50 ps delay.</p> <p>The data set also contain the laser delay associated with a rotation position (motor laserdelay, in seconds). Only one laser delay was recorded per step.</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.