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3,206 results for “property (T)”
Low temperature magnetic properties of variably oxidized natural and synthetic siderite Dekkers et al., 2023, G-cubed
<p>The data magnetometric measurements performed on natural and synthetic iron carbonates presented in Dekkers et al. (2023) submitted to G-cubed. Details on the samples and methods can be found in the manuscript and the Additional Supporting Information</p> <p> </p>
Relaxation effects in twisted bilayer molybdenum disulfide: structure, stability, and electronic properties
<p><strong>Abstract</strong></p> <p>Manipulating the interlayer twist angle is a powerful tool to tailor the properties of layered two-dimensional crystals. The twist angle has a determinant impact on these systems' atomistic structure and electronic properties. This includes the corrugation of individual layers, formation of stacking domains and other structural elements, and electronic structure changes due to the atomic reconstruction and superlattice effects. However, how these properties change with the twist angle, <em>θ</em>, is not yet well understood. Here, we monitor the change of twisted bilayer (tBL) MoS<sub>2</sub> characteristics as a function of <em>θ</em>. We identify distinct structural regimes, each with particular structural and electronic properties. We employ a hierarchical approach ranging from a reactive force field through the density-functional-based tight-binding approach and density-functional theory. To obtain a comprehensive overview, we analyzed a large number of tBLs with twist angles in the range of <span class="math-tex">\(\theta=0.2^\circ\dots59.6^\circ\)</span>. Some systems include up to half a million atoms, making structure optimization and electronic property calculation challenging. For <span class="math-tex">\(13^\circ \lessapprox \theta \lessapprox 47^\circ\)</span>, the structure is well-described by a moiré regime composed of two rigidly twisted monolayers. At small twist angles (<span class="math-tex">\(\theta\leq3^\circ\)</span> and <span class="math-tex">\(57^\circ\leq\theta\)</span>), a domain-soliton regime evolves, where the structure contains large triangular stacking domains, separated by a network of strain solitons and short-ranged high-energy nodes. The corrugation of the layers and the emerging superlattice of solitons and stacking domains affects the electronic structure. Emerging predominant characteristic features are Dirac cones at <em>K</em> and kagome bands. These features flatten for <em>θ</em> approaching 0<sup>∘</sup> and 60<sup>∘</sup>. Our results show at which range of <em>θ</em> the characteristic features of the reconstruction, namely extended stacking domains, the soliton network, and superlattice, emerge and give rise to exciting electronics. We expect our findings also to be relevant for other tBL systems.</p> <p>DOI: 10.1088/2053-1583/aceb75</p> <p><strong>Overview</strong></p> <p>This repository contains calculation files, optimized structures, and visualization movies for studies of twisted-bilayer MoS<sub>2</sub>, focussing on structural properties and electronic structure. Each directory has its own README.md file with additional information, separated by what data is included and the method used.</p> <p><strong>Geometry optimization</strong></p> <ul> <li>Directory `calc_structure_optimization_ReaxFF`: calculation files of the structure optimization of all studied structures, done with ReaxFF.</li> <li>Directory `calc_structure_optimization_DFT`: validation calculation files of the ReaxFF-optimized structures using DFT optimization.</li> </ul> <p><strong>Electronic structure calculations</strong></p> <ul> <li>Directory `calc_electronic_properties_DFT`: calculation files of electronic structure calculations on the DFT level.</li> <li>Directory `calc_electronic_properties_DFTB`: calculation files of electronic structure calculations on the DFTB level</li> </ul> <p><strong>Results</strong></p> <ul> <li>Directory `structures_rigidly_twisted`: structure files in cif format of the rigidly twisted (flat) systems, labeled by their twist angle.</li> <li>Directory `structures_fully_optimized`: structure files in cif format of the fully ReaxFF-optimized systems, labeled by their twist angle.</li> <li>Directory `movies`: visualization of the change of the interlayer distance landscape and the strain fields with the twist angle.</li> <li>Additionally, the script `plot_interlayer_distance.py` is included, which was used to create the individual frames of the movie showing the interlayer distance.</li> </ul>
Predicted drug-likeness and toxicity properties of Salvia fruticosa compounds
<p>The datasets present computationally predicted drug-likeness and toxicity profiles of <em>Salvia frutocosa</em> compounds.</p>
Biochemical networks with simulation-based estimations of dynamical properties
<p>This datasets collection was first introduced in the article: </p> <p><a href="https://academic.oup.com/bioinformatics/article/39/11/btad678/7407341" target="_blank" rel="noopener">Exploiting the structure of biochemical pathways to investigate dynamical properties with neural networks for graphs</a>. (Bioinformatics 2023)</p> <p> </p> <p>The collection contains three datasets that contain information about three dynamical properties computed on a set of 483 biochemical pathways downloaded from the BioModels database. The three dynamical properties are:</p> <ul> <li>robustness</li> <li>sensitivity</li> <li>monotonicity</li> </ul> <p>The files are organized as follows:</p> <ol> <li>The `pathways` directory contains 483 files in .dot format for each biochemical pathway downloaded from the BioModels database (May 2021), represented in Petri net format (see <a href="https://doi.org/10.5220/0008964700320043">this article</a> for the exact definition). The file name is the ID of the pathway in the BioModels database.</li> <li>The other folders contain one .csv file for each property. A single .csv file contains 4 columns: <ol> <li>`PathwayID`: the ID of the Pathway in the BioModels database</li> <li>`Input`: the input molecular species on which the property has been assessed</li> <li>`Output`: the output molecular species on which the property has been assessed</li> <li>`Property`: the value of the property assessed with numerical simulations on the pathway for that particular input/output species pair.</li> </ol> </li> <li>The `loader.py` file is an optional script that allows to use the data in python. The script requires that the libraries `networkx`, `pandas`, and `pydot` are installed in the target machine.</li> </ol>
Marble graphs with various rigidity properties
<p>This dataset contains examples of graphs comparing rigidity concepts for generic bar-joint frameworks and for marble graphs. A marble graph is the contact graph of a collection of unit spheres in dimension three with non-overlapping interiors.</p> <p>For each graph there is a Graph6 file format and a list of edges in Mathematica notation. We also provide the coordinates that give the unit-distances (also in Mathematica format). The names of the files indicate the rigidity properties of the given graph.</p>
Vertical profiling of the electrical properties of charged desert dust during the pre-ASKOS campaign: Dataset
<p>The zipped files contain the datasets used to produce Figure 1 of the following conference proceedings paper:</p> <p>Vasiliki Daskalopoulou, George Hloupis, Sotirios A. Mallios, Ilias Makrakis, Evangelos Skoubris, Maria Kezoudi, Zbigniew Ulanowski, & Vassilis Amiridis. (2021, July 6). <em>Vertical profiling of the electrical properties of charged desert dust during the pre-ASKOS campaign</em>. 15th International Conference on Meteorology, Climatology and Atmospheric Physics (COMECAP 2021), Ioannina, Greece. https://doi.org/10.5281/zenodo.5076042</p> <p>The repository contains overall:</p> <ol> <li>the ground-based JCI 131 Fieldmill Electrometer data that were acquired during the campaign (<a href="https://zenodo.org/api/files/b9a97eac-3bc2-4468-a43d-efa270ce8d95/Fieldmill_Ion_counter_Cyprus_campaign.rar">Fieldmill_Ion_counter_Cyprus_campaign.rar</a>)</li> <li>Data from an Alphalab Air Ion counter co-located with the fieldmill (<a href="https://zenodo.org/api/files/b9a97eac-3bc2-4468-a43d-efa270ce8d95/Fieldmill_Ion_counter_Cyprus_campaign.rar">Fieldmill_Ion_counter_Cyprus_campaign.rar</a>)</li> <li>Data from the five MiniMill electrometers that were launched (<a href="https://zenodo.org/api/files/b9a97eac-3bc2-4468-a43d-efa270ce8d95/MiniMills_Cyprus_campaign.rar">MiniMills_Cyprus_campaign.rar</a>)</li> <li>Data from the two of the charge sensors that were launched (<a href="https://zenodo.org/api/files/b9a97eac-3bc2-4468-a43d-efa270ce8d95/Charge_sensors_Cyprus_campaign.rar">Charge_sensors_Cyprus_campaign.rar</a>)</li> <li>Data from the eleven ion counters that were launched, tethered together with the MiniMills or the charge sensors (<a href="https://zenodo.org/api/files/b9a97eac-3bc2-4468-a43d-efa270ce8d95/Ion_counters_Cyprus_campaign.rar">Ion_counters_Cyprus_campaign.rar</a>)</li> <li>A campaign calendar with the launches schedule (<a href="https://zenodo.org/api/files/b9a97eac-3bc2-4468-a43d-efa270ce8d95/Cyprus_campaign_November2019_calendar.pdf">Cyprus_campaign_November2019_calendar.pdf</a>).</li> </ol>
Recurring bleaching events disrupt the spatial properties of coral reef benthic communities across scales
<p>Marine heatwaves are causing recurring coral bleaching events on tropical reefs that are driving ecosystem change. Yet little is known about how bleaching and subsequent coral mortality impacts the spatial properties of tropical seascapes, such as patterns of organism spatial clustering and heterogeneity across scales. Changes in these spatial properties can offer insight into ecosystem recovery potential following disturbance. Here we repeatedly quantified coral reef benthic spatial properties around the circumference of an uninhabited tropical island in the central Pacific over a 9-year period that included a minor and severe marine heatwave. Benthic communities showed increased biotic homogenisation following both minor and mass bleaching, becoming more taxonomically similar with less diverse intra-island community composition. Hard coral cover, which was highly spatially clustered around the island prior to bleaching, became less spatially clustered following minor bleaching and was indiscernible from a random distribution across all scales (100–2000 m) following mass bleaching. Interestingly, the reduced degree of hard coral cover spatial clustering was already evident by the onset of mass bleaching and before any dramatic wholesale loss in island-mean coral cover occurred. Reductions in hard coral spatial clustering may therefore offer an early indication of the ecosystem becoming degraded prior to mass coral mortality. In contrast, the spatial clustering of competitive fleshy macroalgae remained unchanged through both bleaching events, while crustose coralline algae and fleshy turf algae became more spatially clustered at larger scales (200–700 m) following mass bleaching. Overall, benthic community spatial patterning became less predictable following bleaching and was no longer reflective of gradients in long-term environmental drivers that typically structure these remote reefs. Our findings provide novel insights into how climate-driven marine heatwaves can impact the spatial properties of coral reef communities over multiple scales.</p>
Simulated top-of-atmosphere (120 km) downward and upward solar and thermal-infrared irradiances and ice cloud optical thickness; calculated solar, TIR and net cloud radiative effect. Simulated with ice crystal properties for aggregates, droxtals, and plates based on Yang (2013).
<p>This dataset consists of three .nc files for ice crystal shapes of aggregates, plates, and droxtals. The files include ice cloud optical thickness <span class="math-tex">\(\tau\)</span> (550nm), the simulated upward and downward irradiances <span class="math-tex">\(F\)</span> at the top-of-atmosphere (with and without the presence of the ice cloud), and the calculated ice cloud radiative effect <span class="math-tex">\(\Delta F\)</span> (solar [0.3-3.5 <span class="math-tex">\(\mu\)</span>m], thermal-infrared [3.5-75 <span class="math-tex">\(\mu\)</span>m], and net). The data set allows the user to extract <span class="math-tex">\(\Delta F\)</span> values for their parameter combinations. The available cloudy and cloud-free irradiances further allow to calculate the cirrus radiative effect (RE) by scaling the 'cloudy' RE with the required cloud cover. This serves as a first-approximation because, as 3D effects are neglected.</p>
GPR surrogate model dataset for remnant black hole properties using perturbation theory and NR
<p>This is the data-set used in <strong><code>BHPTNR_Remnant</code></strong> which is an easy-to-use python package to efficiently predict the remnant mass, remnant spin, peak luminosity and the final kick imparted on the remnant black hole directly from the gravitational radiation using GPR fits. These fits have been built on the remnant data calculated from numerical relativity informed black hole perturbation theory based waveforms.</p>
Repeatable randomness, invariant properties, and the design of biological signatures of identity
<p>What makes a perfect signature? Optimal signatures should be consistent within individuals and distinctive between individuals. In defence against avian brood parasitism, some host species have evolved 'signatures' of identity on their eggs, comprising inter-individual variation in colour and pattern. Tawny-flanked prinia (<em>Prinia subflava</em>) egg signatures facilitate recognition and rejection of parasitic cuckoo finch (<em>Anomalospiza imberbis</em>) eggs. Here, we show that consistency and distinctiveness of pattern are negatively correlated in prinia eggs, perhaps because non-random, repeatable pattern generation mechanisms increase consistency but limit distinctiveness. We hypothesise that pattern properties which are repeatable within individuals but random between individuals ('invariant properties') allow hosts to circumvent this trade-off. To find invariant properties, we develop a method to quantify entire egg phenotypes from images taken from different perspectives. We find that marking scale (a fine-grained measure of size), but not marking orientation or position, is an invariant property in prinias. Hosts should therefore use differences in marking scale in egg recognition, but instead field experiments show that these differences do not predict rejection of conspecific eggs by prinias. Overall, we show that invariant properties allow consistency and distinctiveness to coexist, yet receiver behaviour is not optimally tuned to make use of this information.</p>
Dataset: Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
<p>This dataset collects the data (outputs, coordinate files) for the calculations presented in the manuscript "Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled<br> Cluster Theory for GPU-accelerated Computer Architectures".</p>
Data for thesis titled: The impact of processing conditions on enzymatic protein hydrolysis performance from sardine (Sardina pilchardus) by-products using Alcalase 2.4L, and the influence on final spray dried hydrolysate powder properties
<p>The data answer the objectives that focused on:</p> <ol> <li>determining the substrate-specific optimum hydrolysis temperature and pH for the particular enzyme-substrate (Alcalase-sardine by-product) combination,</li> <li>investigating the effect of mixing speed, solids concentration and enzyme dosage on dry solids yield and protein recovery during enzymatic hydrolysis of sardine processing by-products,</li> <li>evaluating the influence of solids concentration on emulsion formation during enzymatic hydrolysis,</li> <li>determining the effect of solids concentration and emulsion formation on molecular weight distribution of protein hydrolysates,</li> <li>investigating the effect of mixing speed and solids concentration on the viscosity and mixing regime of material during enzymatic hydrolysis,</li> <li>establishing the role played by processing conditions (degree of hydrolysis (DH), maltodextrin addition and inlet air temperature) on powder recovery during spray drying, and</li> <li>investigating the role of DH, maltodextrin concentration and spray drying temperature on handling and storage properties of spray dried protein hydrolysates.</li> </ol> <p>This data also appears in journal papers with the following titles:</p> <p>Chiodza, K. & Goosen, N.J. 2023a. Evaluation of handling and storage stability of spray dried protein hydrolysates from sardine (Sardina pilchardus) processing by-products: Effect of enzymatic hydrolysis time, spray drying temperature and maltodextrin concentration. <em>Food and Bioproducts Processing</em>. (June, 30). DOI: <a href="https://www.sciencedirect.com/science/article/pii/S0960308523000743?via%3Dihub">https://doi.org/10.1016/j.fbp.2023.06.009</a>.</p> <p>Chiodza, K. & Goosen, N.J. 2023b. Influence of mixing speed, solids concentration and enzyme dosage on dry solids yield and protein recovery during enzymatic hydrolysis of sardine (Sardina pilchardus) processing by-products using Alcalase 2.4L: a multivariable optimisation approach. <em>Biomass Conversion and Biorefinery</em>. 1:1–23. DOI: <a href="https://link.springer.com/article/10.1007/s13399-023-03829-2">https://doi.org/10.1007/s13399-023-03829-2</a>. </p> <p>Chiodza, K. & Goosen, N.J. 2023c. Emulsion formation during enzymatic protein hydrolysis and its effect on protein recovery and molecular weight distribution of protein hydrolysates from sardine (Sardina pilchardus) by-products. <em>Biomass Conversion and Biorefinery</em>. 1:1–12. DOI: <a href="https://link.springer.com/article/10.1007/s13399-023-04438-9">https://doi.org/10.1007/s13399-023-04438-9</a>.</p>
Data for: Differences in mucilage properties and stomatal sensitivity of locally adapted Zea mays in relation with precipitation seasonality and vapour pressure deficit regime of their native environment
<p>Dataset PlantDirect published manuscript:</p> <p>Berauer <em>et al.</em> (2023) - Differences in mucilage properties and stomatal sensitivity of locally adapted Zea mays in relation with precipitation seasonality and vapour pressure deficit regime of their native environment</p> <p>Article DOI: <em><strong>10.1002/pld3.519</strong></em></p> <p> </p> <p>All data is provided within one excel file. Please, pay attention to the provided ReadMe sheet for information on the dataset.</p>
Mechanical Shaker Experiments: Amsterdam Study into the Properties of Wearable Accelerometers (ASPWA)
<p><strong>Mechanical Shaker Experiments: Amsterdam Study into the Properties of Wearable Accelerometers (ASPWA)</strong></p> <p>A description of the data files in this archive can be found in: 20230816_Documentation-raw-folder-structure.pdf</p> <p>If you have a question:</p> <ol> <li>use the search functionality <a href="https://github.com/wadpac/mechanicalshakerexperiments/issues">here</a> to see if someone already experienced the same issue;</li> <li>if your search did not yield any relevant results, please start a new conversation.</li> </ol>
Data from: Correlation of Microstructure and Local Mechanical Properties Along Build Direction for Multi-layer Friction Surfacing of Aluminum Alloys
<p>This dataset contains the data for the publication " Correlation of Microstructure and Local Mechanical Properties Along Build Direction for Multi-layer Friction Surfacing of Aluminum Alloys".</p>
Dataset: Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
<p>This dataset comprises outputs and post-processing results related to the paper "Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory", by Xiang Yuan, Loic Halbert, Lucas Visscher and Andre Severo Pereira Gomes.</p>
Indirect cytocompatibility and antibacterial properties of Zr-Cu-Ag metallic glass coatings
<p>In order to evaluate a possible antibacterial effect of the released ions, specimens (4x4 mm<sup>2</sup> square metallic glass coatings) were submerged with 7 ml of LB broth and maintained at 37°C inside a shaker (120 rpm) for 1, 5 days, following the same procedure exploited for the ions release evaluation. At each time point the supernatants were collected and used to cultivate bacteria at a defined concentration (1x10<sup>5</sup> cells/ml); bacteria cultivated with supernatants obtained from ions-free PBT were considered as control. The released ions killing activity was evaluated in terms of metabolic activity that was measured by the alamar blue assay as previously detailed. The same procedure with LB medium for hMSC was repeated. </p>
Soil chemistry dataset from the work "Modelling and prediction of major soil chemical properties with Random Forest: machine learning as tool to understand soil-environment relationships in Antarctica"
<p>Bases sum, H+Al (potential acidity), pH, phosphorous, remaining P (P-rem), sodium and total organic carbon distribution in Antarctic soils modeled and predicted through Machine Learning approaches, legacy soil data and environmental covariates. The quantile and prediction interval data represent the spatial uncertainty of the predictions.</p> <p>As soon as the work "Modelling and prediction of major soil chemical properties with Random Forest: machine learning as tool to understand soil-environment relationships in Antarctica" is published, the paper will be cited here. </p> <p>The .zip file contains the following folders:</p> <p>1) soil_chemistry_antarctica: data containing the soil chemical attributes distribution</p> <p>2) soil_chemistry_prediction_interval: uncertainty from the prediction interval 90% (Q95% - Q5%) of the soil attributes prediction</p> <p>4) soil_texture_quantile05: quantile 5% of the soil attributes prediction</p> <p>5) soil_texture_quantile95: quantile 95% of the soil attributes prediction</p>
Raw data for the plot in the article entitled "Electrophoretic assembly and electronic transport properties of rapidly synthesized Sb2Te3 nanoparticles"
<p>data plotted in the article in csv format</p>
Impact of Convection-permitting and Model Resolution on the Simulation of Mesoscale Convective System Properties over East Asia: companion dataset
<p>This folder includes the intermediate data for the following manuscript:</p><p>Ding et al., Impact of Convection-permitting and Model Resolution on the Simulation of Mesoscale Convective System Properties over East Asia</p><p>The simulations were done using ICON-NWP (ICON Numerical Weather Prediction) model, version 2.6.1, over Asian monsoon region (62E–150E, 5.5N–54.5N) for 2020 summer. At the moment, we upload the intermediate data for MCS tracking. For more data, please contact the authors.</p>
ScienceDex guides
Understand access before you commit
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.