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139 results for “structural properties”
Synthesis, Structure and Redox Properties of Single-atom Bridged Diuranium Complexes Supported by Aryloxides
<p>This upload contains raw data (NMR, X-Ray Diffraction, Electrochemistry, SQUID and Elemental Analysis) files for the article</p>
Experimental manipulation of predatory crab species identity (Panopeus obesus vs. Eurytium limosum) and size-structure and assessment of effects on invertebrate densities, sediment properties and plant biomass.
Predatory mud crabs (Panopeus obesus and Eurytium limosum) are two of the main resident infaunal predators in southeastern US salt marshes. Little is known, however, about their effects on important prey species, or their influences on sediment or plant properties. These influences are likely to be dependent on the identity of species and the size-stucture of the population. We therefore manipulated the species identity (Panopeus or Eurtium) and size-structure. The size-structure treatrment had four levels: small [9 individuals, each 18-22mm carapace diameter], medium [6 ind. 24 -28mm], large [3 ind. 32-36mm], mixed (3 small, 2 medium, 1 large, all within same cage). The numbers of crabs in each size-structure treatment were chosen to capture natural size-abundance relationships. The treatments were maintained in experimental cages (70 x 70 x 100 cm, length, width, height) in the mid-Spartina zone at Dean Creek, Sapelo Island, GA. We maintained the treatments over 4 months (July - October 2010), before assessing impacts on prey densitities (mud fiddler crabs, ribbed mussels and marsh periwinkles), and ecosystem properties (aboveground plant biomass, sediment redox potential, sediment water content).
RCS01 Recovery and relative influence of root, microbial, and structural properties of soil on physically sequestered carbon stocks in restored grassland at Konza Prairie
Managing soil to sequester C can help mitigate increasing CO2 in the atmosphere. To maximize this ecosystem service, more knowledge of factors influencing C sequestration is needed. The objectives of this study were to (i) quantify recovery of the roots, microbial biomass and composition, and soil structure across a chronosequence of grassland restorations and (ii) use a structural equation model to develop a data-based hypothesis on the relative influence of physical and biological soil properties on the soil C aggregate fraction diagnostic of sequestered C. We hypothesized measured variables would recover with restoration age. Belowground plant biomass and tissue quality (C/N ratio), soil microbial biomass C, phospholipid fatty acid (PLFA) concentrations, soil structure, and soil C stocks in the bulk soil and each aggregate fraction were quantified from a cultivated field, prairies restored for 1 to 35-yr (n = 6), and a never-cultivated (native) prairie. Root biomass, microbial biomass C, arbuscular mycorrhizal fungi (AMF) PLFA biomass across the chronosequence increase to resemble native prairie following 35 yr of restoration. Many aspects of soil structure (i.e., bulk density, proportional mass of aggre- gate fractions, and aggregate mean weighted diameter) and the distribution C among soil fractions, including C in the micro-within-macro aggregate fraction (sequestered C), also became representative of native prairie within 35 yr of restoration. Total soil C stock and physically protected C increased at a similar rate (23 and 27 g C m-2 yr-1) respectively, across the chronosequence. After 35 yr of restoration, 50% of the total C pool was physically protected. The structural equation modeling developed by these data hypothesizes that microbial biomass C and AMF biomass (microbial composition) have the strongest causal influence on physically protected C. This model needs to be tested using independent sites to achieve greater inference.
Frequency Tagging of Syntactic Structure or Lexical Properties
Open the record for dataset details and reuse information.
Research Data Supporting "Understanding Structural and Electronic Properties of Bismuth Trihalides and Related Compounds"
<p>Research Data Supporting "Understanding Structural and Electronic Properties of Bismuth Trihalides and Related Compounds"</p> <p>DOI: 10.1021/acs.inorgchem.9b03214</p>
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>
Evaluating the influence of structural properties on proximity metric performance in single cell RNA-seq data - Datasets
<p>Includes raw and processed copies of the scRNA-seq datasets used for the paper: '<strong>How does data structure impact cell-cell similarity? Evaluating the influence of structural properties on proximity metric performance in single cell RNA-seq data.'</strong></p> <p><strong>Real scRNA-seq.zip </strong>contains the Abundant (subset1) and Rare (subset 2) subsets generated to represent discretely structured datasets (sourced from<strong> </strong> Wegmann et al. 2019) and the continuously structured data (sourced from Popescu et al. 2019).</p> <p><strong>Simulated scRNA-seq.zip</strong> contains the Abundant, Moderately-Rare and Ultra-Rare subsets for discretely and continuously structured datasets. All data was simulated using the PROSSTT package in Python 3.8, as well as the dataset containing the labels to re-produce Figure 3 of the manuscript.</p> <p><strong>Results.zip </strong>contains the results for all datasets from the full analysis, in a pickled python dictionary. Code to read in and visualise results is available on the projects github</p> <p>The scripts for the dataset generation, processing and visualisation of results are available at <a href="https://github.com/Ebony-Watson/scProximitE">our github for the scProcimitE package</a>, and documentation is available <a href="https://ebony-watson.github.io/scProximitE/">here</a>.</p>
Connexin 46 and connexin 50 gap junction channel properties are shaped by structural and dynamic features of their N-terminal domains
<p>Provided are reduced trajectories (.dcd) of the MD simulations -- each trajectory has 100 ps/frame with only protein and ion atoms remaining. Each set of trajectories are accompanied by a protein structure file (.psf) which is required to visualize the trajectories in VMD. Additionally, the z-trajectories of each intracellular ion (2 ps/frame) are provided in zipped files.<br> <br> To re-create the potentials of mean force (PMF) in Yue & Haddad et al., use the scripts provided with the paper (https://github.com/reichow-lab/Yue-Haddad_et-al.JPhysiol2021):<br> <br> </p> <pre><code class="language-bash">python3 GapJ_Analysis.py "Cx46_Ace_Produc-1_POT_*"</code></pre> <ul> <li>Choose a bin size in Å (3)</li> <li>Choose an output name (Cx46_Ace)</li> <li>Choose option (M)</li> <li>Choose time (ps) / frame (2)</li> <li>Choose column from file (1)</li> <li>Choose bin<sub>min</sub>/bin<sub>max </sub>(auto)</li> </ul>
Process-structure-property map for organic solar cells
<p>This archive contains:<br> - 1708 morphologies generated using Cahn-Hilliard equation for two parameters: blend ratio in range (0.5-0.63) and chi/interaction parameter (2.3-4.0). Blend ratio and chi are the processing conditions. Morphologies are given in two formats: plt files (srcdata folder) - raw data from simulations, and txt file (data folder) in the row-wise format for Graspi. For quick visualization morphologies are visualized and stored in folder figs.</p> <p>The dataset contains:<br> Five folders:<br> - srcdata: the source data with all plt files (1708 files) generated by Cahn Hilliard equation solver<br> - data: the data used by graspi to compute descriptors (these are txt files stored as row-wise array, the volume fraction has been segmented using tools of graspi)<br> - logs: 1708 log files with the descriptors generated by graspi (native C++ version)<br> - figs: 1708 png files with visualized morphologies</p> <p>Two tables (in comma separated values format):<br> - Combined PSP.csv (combined data on process-structure-property maps), where process information consists of three variables: PHI, CHI, NN (volume fraction, interaction parameter and time step index)<br> - AllPropertiesCurated.csv - File with results from EDD - see reference below for more details</p> <p>One shell script: extractDesc.sh to build CombinedPSP.csv table from three sources: filename (contains info about PHI, CHI, NN), descriptors (graspi and logs), and Jsc (from AllPropertiesCurated.csv)</p> <p>More details on the dataset: Wodo, O., J. Zola, . Pokuri, P. Du, and B. Ganapathysubramanian. "Automated, high throughput exploration of process–structure–property relationships using the mapreduce paradigm." Materials discovery 1 (2015): 21-28.</p> <p> </p>
Boron-, carbon-, and silicon-bridged 1,12-dihydroxy-perylene bisimides with tuned structural and optical properties
<p>Additional data to report <a href="https://doi.org/10.1039/D3CC03704E">https://doi.org/10.1039/D3QO01389H</a></p> <p>Establishing suitable design strategies to tailor the functional properties of perylene bisimide (PBI) dyes are critical for their successful application in various devices. Herein, we report a new synthetic strategy to tune their structural and fluorescence properties by employing 1,12-bay-substitution pattern that has been seldomly investigated in the past. Central to the strategy is the use of 1,12-dihydroxy-PBI as a starting compound and the subsequent bridging of these hydroxy bay-functional groups with either a boron, carbon or silicon atom resulting in derivatives with rigidified perylene core. This is followed by a detailed exploration of synthetic possibilities to functionalize the unsubstituted 6,7-positions at the opposite bay area to achieve novel perylene dyes with excellent structural and optical properties. The fluorescence color could be tuned from green to dark-orange while retaining the almost unity fluorescence quantum yield in solution. Moreover, a strong fluorescence with quantum yields as high as 40% has been observed for powders, which clearly illustrates the potential of the presented structural design to obtain new solid-state emitters.</p>
LAGOS-NE – Lake nutrient chemistry and geospatial data to measure spatial structure of ecosystem properties in a 17-state region of the U.S.
This dataset includes data for the lake water quality and geospatial variables that describe climate, hydrology, land use land cover, and lake characteristics that were used to study spatial structure in lake properties at the sub-continental scales (Lapierre et al. Quantifying spatial structure to improve understanding of the relationships between climate, landscape, and lake ecosystem properties, to be submitted to Ecology). All observations came from LAGOS-NELIMNO v. 1.054.1 and LAGOS-NEGEO v. 1.03 (LAke multi-scaled GeOSpatial and temporal database), an integrated database of lake ecosystems (Soranno et al. 2015). LAGOS-NE contains a complete census of lakes great than or equal to 4 ha with corresponding geospatial information for a 17-state region of the U.S., and a subset of the lakes has observational data on morphometry and chemistry. Approximately 54 different sources of data were compiled for the LAGOS-NELIMNO v. 1.054.1 dataset and were mostly generated by government agencies (state, federal, tribal) and universities. In this analysis, we compiled lake water quality data from the summer stratified season (June 15-September 15) in the most recent 10 years of data included in LAGOS-NELIMNO v. 1.054.1 (2002-2011). We report the median total nitrogen, total phosphorus, secchi depth, and chlorophyll values for each lake, which was calculated as the grand median of each yearly median value. We also include data for lake and landscape characteristics including variables related to lake morphometry, climate, hydrology, atmospheric deposition, land use and land cover.
Structural and luminescent properties of Y2Mo4O15: Eu3+ red phosphor calcined at different temperatures
<p>Data from the preprint of the manuscript published in the Physica status solidi (b) journal</p> <p> Jelena Papan, Zoran Ristić, Aleksandar Ćirić, Sanja Kuzman, Miroslav D. Dramićanin, <strong>Structural and luminescent properties of Y<sub>2</sub>Mo<sub>4</sub>O<sub>15</sub>: Eu<sup>3+</sup> red phosphor calcined at different temperatures, </strong>Physica status solidi (b), Vol. 257, Iss. 8, 1900454.</p> <p><a href="https://doi.org/10.1002/pssb.201900454">https://doi.org/10.1002/pssb.201900454</a></p>
Data for "Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt grain boundaries in aluminum"
<p>This repository contains the raw data of experimental STEM images and of the simulations for the paper "Influence of variation in grain boundary parameters on the evolution of atomic structure and properties of [111] tilt boundaries in aluminum".</p>
Plant silicon content as a proxy for understanding plant community properties and ecosystem structure
<p>Main dataset from the paper entitled "Plant silicon content as a proxy for understanding plant community properties and ecosystem structure".</p>
Data_paper_Influence of buffer/protective layers on the structural and magnetic properties of SmCo films on Silicon
<p>Integration of Samarium Cobalt hard magnets on silicon requires buffer/protective layers that can enhance the magnetic properties of the magnet while preserving its structure and chemical composition after post-annealing treatments needed for the formation of the magnetically hard phase. In this work, a comparison of Samarium-Cobalt films for five different buffer/protective layers, namely Ti, W, TiW, Ta, Cr and two different annealing temperatures, 650°C and 750°C, is presented. Depending on materials and annealing temperatures, magnetic properties such as saturation and coercivity of the SmCo film can be finely tuned. We show that coercivity up to 3.65 T or saturation magnetization up to 0.95 T can be reached by proper choice of the relevant process parameters: deposition temperature, material for the buffer/protective layer and annealing temperature. Such value of coercivity is among the highest found in literature for thin films of SmCo.</p>
Synthesis and characterization of CsPbCl3 perovskite doped with Nd3+: structural, optical, and energy transfer properties
<div> <p>The purpose of this paper is to synthesize micrometric inorganic perovskite CsPbCl3:Nd3+ and investigate the impact of doping with rare earth ions on structural and optical properties, as well as energy transfer pathways between the host and dopant. Herein, we report the solid-state reaction synthesis of a concentration series of CsPbCl3:x%Nd3+ annealed in a nitrogen atmosphere. Additional doping of a material that already exhibits luminescence with an optically active ion increases its application potential. Structural features were determined using X-ray powder diffraction and Raman spectroscopy. Morphology studies performed with scanning electron microscopy images revealed micrometric, well-separated cubic-like crystallites with a good distribution of individual elements. Surprisingly, a photoluminescence (PL) study showed that only the blue emission appears when the material is excited with a diode operating in the UV range. Apparently, the emission of Nd3+ ions can only be obtained with direct excitation of the lanthanide. The photoluminescence excitation (PLE) spectrum monitored for Nd3+ emission confirmed the lack of energy transfer between the host and dopant. Possible explanations for this behavior have been put forth and substantiated by the first-principles electronic structure calculations in the framework of hybrid density functional theory.</p> </div>
DataSet: Structural and optical properties of gold nanosponges revealed via 3D nano-reconstruction and phase-field models
<p>These are the main raw and processed data for the publication "Structural and optical properties of gold nanosponges revealed<br> via 3D nano-reconstruction and phasefield models".</p> <p>Abstract:<br> Nanoporous gold nanoparticles are subject of intensive research due to their unique morphology, which leads to electric field localizations generating a strongly nonlinear optical response, allowing a wide range of applications. However, accurate predictions of physical properties require detailed knowledge of the sponges’ chaotic nanometer-sized geometrical structures, posing a metrological challenge. Therefore, a main goal is to obtain computer models with equivalent structural and optical properties. To understand the sponges’ morphology, a procedure for their accurate three-dimensional reconstruction using focused ion beam tomography is presented. Next, a small number of morphological key parameters is derived that sufficiently characterize the complex topology. Additionally, a new simulation method for the computer-aided creation of finite-sized sponges with adjustable geometric properties is presented. It is shown that if certain morphological parameters are similar for computer-generated and experimental sponges, their optical response, including number and locations of field localizations, are also similar. Finally, the anisotropy of the experimental sponges is analyzed and an easy-to-use procedure to replicate arbitrary anisotropies in computer-generated sponges is presented.</p>
Research data in support of: An Interplay of Mechanical and Structural Properties of DNA Determines Its Electrostatic Interactions with Lipids
<p>The data collected and reported for the publication entitled: An Interplay of Mechanical and Structural Properties of DNA Determines Its Electrostatic Interactions with Lipids. by Diana Morzy et al.</p> <p>Data is divided by the technique used, with folders named accordingly. Each dataset has a readme file, explaining the basic technical details, as well as how to open each file type.</p> <p>Please do not hesitate to contact the corresponding author (MMCB) for further details.</p>
Data and code for behavioral analysis of: Structural and Molecular Properties of Insect Type II Motor Axon Terminals.
<p>Data and code for behavioral analysis of: Structural and Molecular Properties of Insect Type II Motor Axon Terminals.</p> <p>v1.2: typos corrected and all files available in a single .zip file for download</p>
Effect of Organic Cation Size on Structural, Thermochromic, Dielectric and Photoluminescence Properties of Two-Dimensional Lead Iodide Perovskites with Extremally Reduced Dielectric Confinement
<p>Dataset for scientific publication entitled Effect of Organic Cation Size on Structural, Thermochromic, Dielectric and Photoluminescence Properties of Two-Dimensional Lead Iodide Perovskites with Extremally Reduced Dielectric Confinement. </p> <p>This research was supported by the National Science Center (Narodowe Centrum Nauki) in Poland under project No. 2020/38/A/ST3/00214. JKZ acknowledges support from Academia Iuvenum, Wroclaw University of Science and Technology.</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.