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14,239 results for “STRUCTURE”
Insights in the structural hierarchy of statically crystallized palm oil
<p>This dataset contains all data obtained on palm oil samples and used in the publication "Insights in the structural hierarchy of statically crystallized palm oil". See paper for more information on the methods for obtaining the data.</p> <p> </p> <p>Abbreviations used:</p> <p>PO = palm oil</p> <p>PPP = tripalmitin</p> <p>I = intensity (in X-ray scattering)</p> <p>q = scattering vector (in X-ray scattering)</p> <p>SEM = Scanning Electron Microscopy</p> <p>DSC = Differential Scanning Calorimetry</p> <p>WAXS = Wide Angle X-ray Scattering</p> <p>SAXS = Small Angle X-ray Scattering</p> <p>USAXS = Ultra Small Angle X-ray Scattering</p> <p>PLM = Polarized Light Microscopy</p> <p>FC = fast cooling = 20°C/min</p> <p>SC = slow cooling = 1°C/min</p> <p>TAG = triglyceride</p> <p>FA = fatty acid</p>
Mutual Induced Fit Transition Structure Stabilization of Corannulene's Bowl-to-Bowl Inversion in a Perylene Bisimide Cyclophane
<p>Additional data to report <a href="https://doi.org/10.1039/D3SC05341E">https://doi.org/10.1039/D3SC05341E</a>:<br><br>Corannulene is known to undergo a fast bowl-to-bowl inversion at r.t. <em>via</em> a planar transition structure (TS). Herein we present the catalysis of this process within a perylene bisimide (PBI) cyclophane composed of chirally twisted, non-planar chromophores, linked by <em>para</em>-xylylene spacers. Variable temperature NMR studies reveal that the bowl-to-bowl inversion is significantly accelerated within the cyclophane template despite the structural non-complementarity between the binding site of the host and the TS of the guest. The observed acceleration corresponds to a decrease in the bowl-to-bowl inversion barrier of 11.6 kJ mol<sup>−1</sup> compared to the uncatalyzed process. Comparative binding studies for corannulene (20 π-electrons) and other planar polycyclic aromatic hydrocarbons (PAHs) with 14 to 24 π-electrons were applied to rationalize this barrier reduction. They revealed high binding constants that reach, in tetrachloromethane as a solvent, the picomolar range for the largest guest coronene. Computational models corroborate these experimental results and suggest that both TS stabilization and ground state destabilization contribute to the observed catalytic effect. Hereby, we find a “mutual induced fit” between host and guest in the TS complex, such that mutual geometric adaptation of the energetically favored planar TS and curved π-systems of the host results in an unprecedented non-planar TS of corannulene. Concomitant partial planarization of the PBI units optimizes noncovalent TS stabilization by π–π stacking interactions. This observation of a “mutual induced fit” in the TS of a host–guest complex was further validated experimentally by single crystal X-ray analysis of a host–guest complex with coronene as a qualitative transition state analogue.</p>
Influence of cation concentration and valence on the structure and texture of spray-dried supraparticles from colloidal silica dispersions
<p>These datasets display the raw data for the manuscript: Huanhuan Zhou, Philipp Groppe, Thomas Zimmermann, Susanne Wintzheimer, Karl Mandel, Influence of cation concentration and valence on the structure and texture of spray-dried supraparticles from colloidal silica dispersions, Journal of Colloid and Interface Science, Volume 658,<br>2024, Pages 199-208, https://doi.org/10.1016/j.jcis.2023.12.051.</p> <p>The data connection file serves as an explanation for all datasets and their connection to the data displayed in the manuscript.</p>
Database of Uniaxial Shaking Table Tests for a Two-Storey Steel-Frame Structure
<h2>Description:</h2> <p>This data set contains data from experiments conducted on a two-storey steel-frame structure, involving sine-sweep, white noise, impulse, and earthquake loading. The experiments were carried out using a uniaxial shaking table of the <a href="https://www.lbb.rwth-aachen.de/go/id/eaxh/">Institute of Structural Analysis and Dynamics (LBB) - RWTH Aachen University</a>, in cooperation with the <a href="https://www.stb.rwth-aachen.de/cms/~iozv/STB/">Institute of Structural Steel (STB) - RWTH Aachen</a> and the <a href="https://www.cwe.rwth-aachen.de/home-2/">Center for Wind and Earthquake Engineering (CWE) – RWTH Aachen</a>.</p> <h3>Test structure:</h3> <p>The test structure was a two-storey, single-bay moment resisting frame (MRF) in the direction of excitation. In the perpendicular direction, a concentrically braced system provided lateral stability. The dimensions of the test structure were: 2.40 m length, 2.40 m width, and 3.78 m total height. Each floor had a distinct height: 2.02 m for the first floor and 1.76 m for the second. The moment resisting connections were realized as bolted extended unstiffened endplate joints. The column web panel was strengthened by two supplementary web plates (SWP) and continuity plates (CP). The base plate was meticulously modified to allow for rotation movement in order to approximate a pinned boundary condition. In addition, diaphragm action was ensured using diagonally arranged L-profiles in the plane of each floor. For additional mass, four steel I-profiles, each weighting 1650 kg were attached to the main structure (2 on each floor) and were secured by using steel U-profiles. An industrial pressure vessel with a self-weight of 100 kg, which remained empty for the first phase of the experimental campaign, was additionally mounted on the first floor. </p> <p>The properties of the frame structure are:</p> <ul> <li>Columns: HEA200 S355-J2 + 2 SWP + 6 CP</li> <li>Beams: HEA160 S235-JR</li> <li>Bolts: 8x M16, 10.9 HV</li> <li>Joints: Partial strength, semi-rigid</li> <li>End-plate: 272x190x8 mm</li> <li>Welds: Full penetration groove welds</li> </ul> <h3>Test setup:</h3> <p>The shaking table specifications are:</p> <ul> <li>Table size: 3.0x3.0 m</li> <li>Max. specimen mass: 10 t</li> <li>Max. overturning moment: 30 m t</li> <li>Max. actuator stroke: +/- 250 mm</li> <li>Max. table velocity: +/- 1 m/s at rated load</li> <li>Max. table acceleration: +/- 1g at rated load</li> <li>Test frequency: 0 to 50 Hz</li> </ul> <p>The instrumentation scheme of the test setup consisted mainly of accelerometers, displacement tranducers and strain gauges, measuring the excitation provided by the shaking table and the response of the structure. Regarding the global response of the test structure, the recordings of the accelerometers and displacement tranducers indicated in the uploaded file 'Instrumentation_Scheme_v1.0.0.pdf' are provided. </p> <p>The properties of the accelerometers are:</p> <ul> <li>Type: M3701-series</li> <li>Manufacturer: PCB Piezotronics, Inc.</li> <li>Measurement range: +/- 3g</li> <li>Frequency range: 0-500 Hz</li> <li>Sensitivity: 900 mV/g</li> <li>Resolution: 2.2e-5g</li> <li>Noise: 1 µg/Hz<sup>-0.5</sup></li> </ul> <p>The properties of the displacement tranducers are:</p> <ul> <li>Type: LZW-M-500</li> <li>Manufacturer: WayCon Positionsmesstechnik GmbH</li> <li>Measurement range: +/- 250 mm</li> <li>Linearity: +/- 0.05%</li> <li>Repeatability: 0.01 mm</li> <li>Displacement force: ≤15 N</li> <li>Displacement speed: ≤5 m/s</li> </ul> <h2>Files:</h2> <ul> <li>Load_Protocols_v1.0.0.pdf <ul> <li>.pdf file listing all load protocols applied to the structure.</li> </ul> </li> <li>Time_Histories_v1.0.0.pdf <ul> <li>.pdf file displaying the acceleration and displacement time histories according to the load protocols.</li> </ul> </li> <li>Data_v1.0.0.zip <ul> <li>Contains all data files according to the load protocols.</li> <li>The experimental data is provided as .csv files for each load protocol. The experiments are named by the load protocol. A .pdf file contains the corresponding data plots.</li> </ul> </li> <li>References_v1.0.0.bib <ul> <li>Contains a bibtex reference with the associated publications.</li> </ul> </li> <li>Shake_Table.jpg <ul> <li>Photo of the shaking table without any specimen.</li> </ul> </li> <li>Test_Structure_v1.0.0.jpg <ul> <li>Photo of the shaking table including the test structure.</li> </ul> </li> <li>Test_Structure_Sketch_v1.0.0.pdf <ul> <li>.pdf file illustrating the test structure.</li> </ul> </li> <li>Instrumentation_Scheme_v1.0.0.pdf <ul> <li>.pdf file illustrating the sensor placements on the test structure.</li> </ul> </li> </ul> <h2>File format of the data sets:</h2> <p>The data is stored in .csv files, where each file contains the following columns:</p> <ul> <li>Time: Time in seconds since the start of the test (time step equals 0.003 s).</li> <li>Acc_0: Acceleration signal measured in m/s<sup>2</sup> on the shaking table.</li> <li>Acc_1: Acceleration response of the structure measured in m/s<sup>2</sup> on the first floor.</li> <li>Acc_2: Acceleration response of the structure measured in m/s<sup>2</sup> on the second floor.</li> <li>Disp_0: Displacement signal measured mm on the shaking table.</li> <li>Disp_1: Displacement response of the structure measured in mm on the first floor.</li> <li>Disp_2: Displacement response of the structure measured in mm on the second floor.</li> </ul> <p>These data files can easily be uploaded using the pandas library in Python. For example by:</p> <pre><code>import pandas as pd df = pd.read_csv('LP01_Sweep_001.csv') time = df["Time"] acc_0 = df["Acc_0"] disp_0 = df["Disp_0"]</code></pre> <h2>Contact:</h2> <p>Please send your enquiries regarding the shaking table to <a href="dynamics@lbb.rwth-aachen.de">dynamics@lbb.rwth-aachen.de</a>. Further information can be found on our <a href="https://www.lbb.rwth-aachen.de/go/id/eaxh/">website</a>.</p> <h2>Usage/License:</h2> <ul> <li>The data is licensed under CC BY-SA 4.0.</li> <li>If you have used our data and are publishing your work, we ask you to please reference both <ul> <li>this database by its DOI, and</li> <li>any publication that is associated with the experiments. See the "References_v1.0.0.bib" for the associated publication references.</li> </ul> </li> </ul> <h2>Fundings:</h2> <ul> <li>Deutsche Forschungsgemeinschaft - <em>Grant number: INST 222/1161-1 FUGG</em>. Einaxialer Schwingtisch für dynamische Modell- und Bauteilversuche.</li> <li>Bundesministerium für Bildung und Forschung - <em>Grant number: 03G0892A</em>. ROBUST – Nutzerorientiertes Erdbebenfrühwarnsystem mit intelligenten Sensorsystemen und digitalen Bauwerksmodellen – Entwicklung Installation und Anwendung von sensorbasierten Monitoringsystemen mit BIM-Integration zur Echtzeit-Schadenerkennung in kritischen Infrastrukturen.</li> </ul> <p> </p>
Data description: Deprivation of loading during early healing of rat Achilles tendons affects extracellular matrix composition and structure, and reduces cell density and cell alignment
<p><a name="_Hlk158643946"></a><strong>Data description: Deprivation of loading during early healing of rat Achilles tendons affects extracellular matrix composition and structure, and reduces cell density and cell alignment</strong></p> <p><em>Malin Hammerman, Maria Pierantoni, Hanna Isaksson<sup> *</sup>, Pernilla Eliasson <sup>*</sup></em></p> <p><em><sup>* </sup></em><em>joint<sup> </sup>last authors</em></p> <p>This dataset contains microscope images obtained from sections of healing and intact rat Achilles tendons undergoing different in vivo loading protocols and different time points post-transection. The data presented are the full resolution microscope images available in lower resolution in the accompanying manuscript’s Supplementary Figures 4-6.</p> <p>Each zipped folders contain images (tif-files) from all time-points for each respective staining and loading group. </p> <ul> <li>Col1: Sections stained with Collagen 1 antibodies</li> <li>Col3: Sections stained with Collagen 3 antibodies</li> <li>Elastin: Sections stained with Elastin antibodies</li> <li>Full_loading: Free cage activity</li> <li>Reduced_loading: Paralysis of the calf muscle with Botox</li> <li>Minimal_loading: Botox combined with joint fixation using a steel-orthosis</li> <li>Intact_reference: Contralateral uninjured Achilles tendons, used as reference</li> </ul> <p>More description of the datasets inside the zipped files are available below and in the file 'Data Description.pdf'</p> <p> </p> <p><strong>Brief re-cap of methods</strong></p> <p>Histological analysis was performed on healing Achilles tendons from Female Sprague-Dawley rats, specific-pathogen free (11-12 weeks, weight 299 ± 15 g), that had undergone full transection [13] of the right Achilles tendon, and been exposed to different levels of loading. Altered loading was imposed through two mechanisms. Reduced loading involved intramuscular Botox injections in the right calf muscles to induce plantar flexor muscle paralysis [24]. Additionally, the rats in the minimal loading group received a steel-orthosis around their right hindlimb directly after surgery [24].</p> <p>Snap frozen tendons in OCT were sectioned longitudinally (7 μm thickness) and stained with immunofluorescent staining for collagen 1, collagen 3, or elastin. Sections were counterstained with DAPI followed by mounting. The tissue sections were imaged under a microscope (DMi8, Leica Microsystems, Wetzlar, Germany, with a Hamamatsu Orca LT Flash sCMOS camera) where fluorescence was detected at 550 nm (secondary antibody Alexa Fluor 594), 470 nm (secondary antibody Alexa Fluor 488) and 385 nm (DAPI), and exposure time was held constant for each color channel regarding magnification and staining.</p> <p>Mapping images of the entire tendon were obtained for one section per group (n=1 per healing time, loading group and ECM matrix protein). All images were adjusted to the negative control, where the primary antibody was omitted, to correct for unspecific antibody detection.</p> <p><strong>Microscope images and description of file-names </strong></p> <p>All data is presented in the form of .tif files. Please refer to the scale bars in the images. All image-files are named using the following abbreviations, as described below. As an example, the file name “Tendon_col1_FL_1W_col1.tif” refers to a tendon section stained for collagen 1 from a rat exposed to full loading for a period of 1 week after tendon transection, where only the channel for collagen 1 is shown, whereas “Tendon_col1_FL_1W_merged.tif” includes the channels for both staining for collagen 1 and DAPI of the same section.</p> <p>Col1: Sections stained with Collagen 1 antibodies<br>Col3: Sections stained with Collagen 3 antibodies<br>Elastin: Sections stained with Elastin antibodies<br>dapi: Sections stained with 4',6-Diamidino-2-Phenylindole Dihydrochloride.<br>FL: Full loading (free cage activity),<br>RL: Reduced loading (paralysis of the calf muscle with Botox),<br>ML: Minimal loading (Botox combined with joint fixation using a steel-orthosis)<br>IT: Intact contralateral Achilles tendons, used as reference.</p> <p>1W: Healing time point 1 week after transection<br>2W: Healing time point 2 weeks after transection<br>3W: Healing time point 3 weeks after transection<br>20W: Healing time point 20 weeks after transection</p> <p><strong>Settings for brightness and contrast</strong></p> <p><em>Collagen 1</em><br>1w FL 2000-12 000, UL 4000-10 000, ML 4000-12 000<br>2w FL 2500-10 000, UL 4000-10 000, ML 5000-12 000<br>3w FL 2000-12 000, UL 3500-13 000, ML 3500-14 000<br>12w FL 3000-12 000<br>20w FL 3000-11 000<br>IT 2000-8 000</p> <p>Collagen 3<br>1w FL 3000-12 000, UL 4000-10 000, ML 4000-13 000<br>2w FL 2000 - 7 000, UL 2500-12 000, ML 2000-12 000<br>3w FL 2000-12 000, UL 3500-13 000, ML 3500-14 000<br>12w FL 3000-12 000<br>20w FL 2000-12 000<br>IT 3000-12 000</p> <p>Elastin<br>1w FL 4000-10 000, UL 5000 - 8000, ML 3500-12 000<br>2w FL 3000-12 000, UL 3000-12 000, ML 3000-12 000<br>3w FL 2500-12 000, UL 2000-12 000, ML 2500-12 000,<br>12w FL 3500-12 000<br>20w FL 3500-12 000<br>IT 2000-12 000</p>
Dataset for "Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion"
<p>This repository contains the data of the simulations and theoretical<br>calculations of the paper "Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion".</p>
Bacteriophage Bxb1 Structure
<p>Mycobacteriophage Bxb1 that infects Mycobacterium smegmatis. It is useful for the study and treatment of tuberculosis. By Victor Padilla Sanchez, PhD. Website: https://www.drvictorpadillasanchez.com</p>
Deep neural networks and humans both benefit from compositional language structure
<p>This dataset holds the results generated in the paper:</p> <p>Deep neural networks and humans both benefit from compositional language structure</p> <p>by L. Galke, Y. Ram, and L. Raviv.</p>
Mangrove terrestrial laser scanning (TLS) point clouds and quantitative structural models (QSMs)
<p>Datasets for a publication entitled, "Terrestrial laser scanning for the estimation of above ground biomass of mangrove roots by modelling them as inverted trees."</p> <p>See the file "Data dictionary for Mangrove terrestrial laser scanning.pdf" for a description of the datasets included in the zipped folder. </p>
Global comparative structural analysis of responses to protein phosphorylation
<p>This contains the structures and data used for the structural analysis presented in <em>Global comparative structural analysis of responses to protein phosphorylation</em> (Correa Marrero et al., https://doi.org/10.1101/2024.10.18.617420 ). To summarize:</p> <ul> <li>filtered_df.xlsx: dataset of paired phosphorylated structures and their non-phosphorylated counterparts. Each row contains one such pair.</li> <li>chains_by_protein.zip: each directory (named with a UniProt ID) contains the used structures that form the basis for the analysis. The structures are in PDB format, in a separate directory for each protein in the dataset. The exception is the annotation_per_psite directory, which contains annotation as a csv file for each phosphosite.</li> <li>extracted_domains.zip: contains structures of Pfam domains (extracted from the previous dataset) in PDB format. Each filename follows the format {PDB ID}_{Chain ID}_{Pfam domain ID}. The domain_coverage.csv file lists the domain coverage of the structure, as well as its length compared to the whole sequence and the whole structure it was extracted from. These are the structures used for the analysis shown in Fig. 1 f-h.</li> <li>extracted_pfam_domains.zip: contains structures of a broader set Pfam domain structures (the whole set of Pfam domains found to contain a phosphosite in filtered_df.csv) in PDB format. Each directory (named with the Pfam ID) contains the structures. merged_pfam_data.tsv contains metadata about the structures (structure quality, coverage of the domain structure, phosphosite location...). These are the structures used for the analysis shown in Fig. 2.</li> </ul>
Roughness and Energy Losses Induced by Mussel Growth on the Walls of Hydraulic Structures and Application to a Water Transfer Project
<p>This file contains the ADV data of <em>Roughness and Energy Losses Induced by Mussel Growth on the Walls of Hydraulic Structures and Application to a Water Transfer Project</em>.</p>
Dataset for "Doped and structured silica optical fibres for fibre laser sources"
<p>The dataset represents the experimental data for publication "Doped and structured silica optical fibres for fibre laser sources."</p>
Long-read sequencing and structural variant characterization in 1,019 samples from the 1000 Genomes Project
SV analysis of the long-read sequencing data of 1,019 samples from the 1000 Genomes Project. The data is hosted at the International Genome Sample Resource (IGSR) in the <a href="https://ftp.1000genomes.ebi.ac.uk/vol1/ftp/data_collections/1KG_ONT_VIENNA/">1KG_ONT_VIENNA</a> directory. Please see the <a href="https://ftp.1000genomes.ebi.ac.uk/vol1/ftp/data_collections/1KG_ONT_VIENNA/README_1KG_ONT_VIENNA.md">README</a> and <a href="https://ftp.1000genomes.ebi.ac.uk/vol1/ftp/data_collections/1KG_ONT_VIENNA/README_1KG_ONT_VIENNA_datareuse_statement.md">data reuse statement</a> for further information about this dataset.
Robust Method for Property Prediction via Artificial Neural Networks: Incorporating Key Structural Features for Carbon Dioxide – Ionic Liquid Mixtures
<p>This Dataset comprises two sub-sets of information:</p> <ul> <li>Database and Results of the work present in the paper "Robust Method for Property Prediction via Artificial Neural Networks: Incorporating Key Structural Features for Carbon Dioxide – Ionic Liquid Mixtures" published in The Journal of Physical Chemistry B (https://doi.org/10.1021/acs.jpcb.4c04432).</li> <li>Sample of the code used, in order to reproduce any of the results presented above. This can be found in the previous version of this Dataset (v1.0 https://zenodo.org/records/11216901)</li> </ul> <p> </p> <p>Regarding the sample code, an example for all ANN Models used in this work is provided. This includes the three models used:</p> <ol> <li>One based only on Critical Properties of Ionic Liquids (CRT Model)</li> <li>One based only on Structural Properties of Ionic Liquids (STR Model)</li> <li>One combination of the previous models, taking into account both Critical and Structural Properties (COMB Model)</li> </ol> <p>In this manner, it is possible to observe the differences between the performance of the different models, either through statiscal analysis or using graphical representation. This allows for the benchmarking to be done in a more concise way.</p>
Compiled database, code and raw data for the article "A Comprehensive Database of Leaf Temperature, Water, and CO2 Fluxes in Young Oil Palm Plants Across Diverse Climate Scenarios for the Evaluation of Functional-Structural Models"
<p>This dataset results from an experiment on young oil palm plants (<em>Elaeis guineensis</em>) in the Ecotron facility from CNRS in Montpellier. Four plants were put in a microcosm one by one with varying climatic conditions to investigate the effect of climate on leaf temperature, CO2, and H2O fluxes at the plant scale. The conditions were defined based on typical daily conditions from a location where it is grown (Libo, Indonesia), <em>i.e.</em>, a day with no rainfall and near-average air temperature and humidity. This base condition was then modified by adding more CO2 (400, 600 and 800ppm), less radiation (typical cloudy sky), and more or less temperature and vapour pressure deficit (± 30%).</p> <p>Find more details from the <code>README.md</code> file in the repository or from the associated <a href="https://github.com/PalmStudio/Biophysics_database_palm" target="_blank" rel="noopener">Github repository</a>.</p>
Data supporting the publication "Many-body quantum sign structures as non-glassy Ising models"
<p>This repository contains all raw data that were used to draw conclusions and generate figures for the paper:</p> <p><strong>"Many-body quantum sign structures as non-glassy Ising models"</strong><br> by Westerhout, T., Katsnelson, M. I., & Bagrov, A. A.</p> <p><em>Abstract:</em> The non-trivial phase structure of the eigenstates of many-body quantum systems severely limits the applicability of quantum Monte Carlo, variational, and machine learning methods. Here, we study real-valued signful ground-state wave functions of frustrated quantum spin systems and, assuming that the tasks of finding wave function amplitudes and signs can be separated, show that the signs can be easily bootstrapped from the amplitudes. We map the problem of finding the sign structure to an auxiliary classical Ising model defined on a subset of the Hilbert space basis. We show that the Ising model does not exhibit significant frustrations even for highly frustrated parental quantum systems, and is solvable with a fully deterministic O(K log K)-time combinatorial algorithm (where K is the Ising model size). Given the ground state amplitudes, we reconstruct the signs of the ground states of several frustrated quantum models, thereby revealing the hidden simplicity of many-body sign structures.</p>
A 3-D model of The Bear Trap: A unique stone structure on the northwest tip of the Nuussuaq Peninsula, Greenland
<p>This dataset consists of five files. The .obj, .jpg., and .mtl files can be used to view a high-resolution 3D mesh model of ‘The Bear Trap’, a unique Norse ruin at the western end of the Nuussuaq Peninsula in NW Greenland (also called ‘Bjørnefælden’ in Danish, and ‘Putdlagssuaq’ or ‘The Great Trap’ Greenlandic Kalaallisut). The .laz file contains the dense cloud. The .avi shows a flyover video of the 3D model. The 3D model was created from 1686 photographs that were processed using Structure from Motion Multiview Stereo photogrammetry software (in this case Agisoft Metashape Pro v1.7; Linux Ubuntu). A 24.3 megapixel Sony a5100 APS-C mirrorless camera fitted with a 24 mm lens was used to acquire ground-level imagery of the structure. The image alignment or bundle adjustment was performed using ‘High’ accuracy, a key point limit of 60000 and no tie point limit. The sparse point cloud was scaled using three markers with known dimensions that were placed in the area of interest, and which remained stationary throughout the entire photo survey. The dense point cloud was computed using the ‘High’ setting. The dense point cloud was then used to compute the mesh model using the ‘High’ setting. Instructions are provided in the readme file that accompanies this dataset. </p> <p>The image survey of the Bear Trap was conducted as part of the Vaigat Iceberg-Microbial Oil Degradation and Archaeological Heritage Investigation (VIMOA) project, which was funded by the Danish Centre for Marine Research and supported by the Arctic Research Centre at Aarhus University, the National Museum of Denmark, the Greenland Institute of Natural Resources, and The Greenland National Museum and Archives in Nuuk. Permits for the survey were obtained in advance from the Greenland National Museum and Archives in Nuuk. Walsh et al. (2020) provides an overview of the archaeological surveys conducted during the VIMOA project and Walsh et al. (submitted) provides further details specific to The Bear Trap and surrounding archaeological contexts. </p> <p>Walsh et al. (2020) The VIMOA project and archaeological heritage in the Nuussuaq Peninsula of north-west Greenland. <em>Antiquity</em> 94:e6 doi:10.15184/aqy.2019.230</p> <p>Walsh, Matthew J., Daniel F. Carlson, Pelle Tejsner, and Steffen Thomsen. The Bear Trap: Reinvestigating a unique stone structure on the northwest tip of the Nuussuaq Peninsula, Greenland. Manuscript submitted to <em>Arctic Anthropology</em></p>
ascii xyz files for all pure fullerene isomers from C20 to C80, and stable structures for C28Hn and C40Hn, n=1..5, geometrically optimised with xTB.
<p>ascii xyz files for all pure fullerene isomers from C20 to C80, and stable structures for C28Hn and C40Hn, n=1..5, geometrically optimised with xTB.</p> <p>Data refers to structures generated with the paper published in MDPI Crystals 2021 article "Methodological Investigation for Hydrogen Addition to Small Cage Carbon Fullerenes". Please cite this article if you use this data, many thanks. The article pre-print can be found here: https://www.preprints.org/manuscript/202109.0361/v1 but please cite the final published article.</p>
Data for "Unfolding the structural stability of nanoalloys via symmetry-constrained genetic algorithm and neural network potential"
<p><strong>PtNi_alloy_eam.db</strong> is the dataset (ase.db object) consisting of 55982 intially sampled Pt-Ni alloy structures with EAM energies and forces.</p> <p><strong>PtNi_alloy_dft.db</strong> is the dataset (ase.db object) consisting of the final 6828 resampled Pt-Ni alloy structures with DFT energies and forces calculated by VASP. This is the training set for the NNP, and could be very useful for fitting other machine learning models.</p> <p><strong>PtNi_nanoalloy_vertices_nnp.db</strong> is the dataset (ase.db object) consisting of all the vertices (stable structures) on the convex hulls obtained from NNP-based SCGA runs on 36 Pt-Ni nanoalloy systems. The energies are given by the NNP. Additional information such as mixing energy, motif and symmetry axis are also saved in the dataset and can be queried by the 'data' keyword. An xyz format trajectory of these stable structures is also uploaded.</p> <p>All the input files and scripts for hybrid MC-MD simulations, QBC resampling, DFT calculations, NNP training, NNP-based SCGA runs and convex hull analysis are provided in <strong>inputs_and_scripts.zip</strong>.</p>
The genetic basis of structural colour variation in mimetic Heliconius butterflies
<p>Raw USAXS data from discal region of <em>Heliconius </em>butterflies (<em>H. erato </em>and<em> H. melpomene</em>). The data comes from wings of individuals of two intercross families, one from each species and was used to estimate scale structure variation and a QTL analysis.</p>
ScienceDex guides
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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.