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139 results for “structural properties”
Riverscape properties contribute to the origin and structure of a hybrid zone in a Neotropical freshwater fish
Understanding the structure of hybrid zones provides valuable insights about species boundaries and speciation, such as the evolution of barriers to gene flow and the strength of selection. In river networks, studying evolutionary processes in hybrid zones can be especially challenging, given the influence of past and current river properties along with biological species-specific traits. Here, we suggest that a natural hybrid zone between two divergent lineages of the sexually dimorphic Neotropical fish Nematocharax venustus was probably established by secondary contact as a result of a river capture event between the Contas and Pardo river basins. This putative river capture is supported by hydrogeological evidence of elbows of capture, wind gaps, and geological faults. The morphological (color pattern) and genetic (mtDNA and RADseq) variation reveal a clinal transition between parental lineages along the main river, with predominance of F2 hybrids at the centre of the hybrid zone, absence of early generation backcrosses, and different levels of hybridization in the tributaries. We highlight that different sources of information are crucial for understanding how the riverscape spatial history influences the connectivity between and within rivers systems and, consequently, the dynamics of gene flow between freshwater lineages/species.
Effect of substitution of Al2O3 and B2O3 for SiO2 on the structural and thermodynamic properties of cover glass for liquid crystal display
By the substitution of Al2O3 and B2O3 for SiO2 of the glass network former, the structural and thermodynamic properties of aluminosilicate glass were investigated. Judged by Raman spectra, the bridging vibration Si-Ob increased with the Al2O3/SiO2 substitute. And the total non-bridging vibration Si-Onb decreased, indicating the enhancement of the structure compactness. While for B2O3/SiO2 substitute, the vibration at around 1010cm-1 and the bridging vibration Si-Ob in Q4 unit both decreased and the structure got loosened. Based on the study of the structure of glass, the thermodynamic properties such as viscosity, coefficient of the linear thermal expansion, high-temperature resistance, strain point, annealing point and softening point, as well as density and elastic modulus were investigated. With the enhancement of thermodynamic properties requirements, the difficulty in industrialized manufacturing was increased. In this paper, glass composition of sample 4 was suitable for floating process production.
Supplementary information for 'Structural and chemical properties of superconducting Co-doped BaFe2As2 thin films grown on CaF2'
<p>This repository contains supplementary information for the journal article '<a href="https://iopscience.iop.org/article/10.1088/1361-6668/abcecf">Structural and chemical properties of superconducting Co‑doped BaFe<sub>2</sub>As<sub>2</sub> thin films grown on CaF<sub>2</sub></a>'.</p> <p>The Jupyter notebooks (.ipynb) demonstrate data treatment for Fig. 4b (folder "HyperSpy EDXS Analysis") and Fig. 10a (folder "Atomap"). The notebooks can be run with the provided datasets. HTML files are also provided for quick inspection of the used procedures in a web browser. Supplementary video files (.mp4) show electron-beam-induced radiation damage at the BaFe<sub>2</sub>As<sub>2</sub>-CaF<sub>2</sub> interface.</p> <p>Please visit the websites of the <a href="https://hyperspy.org/">HyperSpy</a> and <a href="https://atomap.org/">Atomap</a> projects for more information.</p> <p>If there are any questions or bugs, please contact me under lukas.gruenewald_at_kit.edu.</p> <p> </p> <p> </p>
Geometric structure and electronic properties of boron-substituted silicene
<p>The essential properties of monolayer silicene greatly enriched by boron substitutions are thoroughly explored through first -principles calculations. Delicate analyses are conducted on the highly non-uniform Moire superlattices, atom-dominated band structures, charge density distributions and atom- & orbital-decomposed van Hove singularities. The hybridized 2pz-3pz and [2s, 2px, 2py]-[3s, 3px, 3py] bondings, with orthogonal relations, are obtained from the developed theoretical framework. The red-shifted Fermi level and the modified Dirac cones/π bands/σ bands are clearly identified under various concentrations and configurations of guest atoms. Our results demonstrate that the charge transfer leads to the non-uniform chemical environment that creates diverse electronic properties.<br> </p>
Data associated to the manuscript "Structural and dynamic properties of soda-lime-silica in the liquid phase"
<p>Contains input files and data used to generate the figures of the article:</p> <p>Structural and dynamic properties of soda-lime-silica in the liquid phase</p> <p>Alessandra Serva, Allan Guerault, Yoshiki Ishii, Emmanuelle Gouillart, Ekaterina Burov, and Mathieu Salanne, <em>arXiv</em>, 2009.07198, 2020</p> <p>https://arxiv.org/abs/2009.07198</p> <p>The folder *DATA_ASCII_FIGURES* contains the processed data used to plot all the figures of the article.</p>
Data from: Interspecific variation in the structural properties of flight feathers in birds indicates adaptation to flight requirements and habitat
1. The functional significance of intra- and interspecific structural variations in the flight feathers of birds is poorly understood. Here, a phylogenetic comparative analysis of four structural features (rachis width, barb and barbule density and porosity) of proximal and distal primary feathers of 137 European bird species was conducted. 2. Flight type (flapping and soaring, flapping and gliding, continuous flapping or passerine type), habitat (terrestrial, riparian or aquatic), wing characteristics (wing area, S and aspect ratio, AR) and moult strategy were all found to affect feather structure to some extent. Species characterized by low wing-beat frequency flight (soaring and gliding) have broader feather rachises (shafts) and feather vanes with lower barb density than birds associated with more active flapping modes of flight. However, the effect of flying mode on rachis width disappeared after controlling for S and AR, suggesting that rachis width is primarily determined by wing morphology. 3. Rachis width and feather vane density are likely related to differences in force distribution across the wingspan during different flight modes. An increase in shaft diameter, barb density and porosity from the proximal to distal wing feathers was found and was highest in species with flapping flight indicating that aerodynamic forces are more biased towards the distal feathers in flapping flyers than in soarers and gliders. 4. Habitat affected barb and barbule density, which was greatest in aquatic species, and within this group, barb density was greater in divers than non-divers, suggesting that the need for water repellency and resistance to water penetration may influence feather structure. However, we found little support for the importance of porosity in water repellency and water penetration, because porosity was similar in aquatic, riparian and terrestrial species and among the aquatic birds (divers and non-divers). We also found that barb density was affected by moult pattern. 5. Our results have broad implications for the understanding of the selection pressures driving flight feather functional morphology. Specifically, the large sample size relative to any previous studies has emphasized that the morphology of flight feathers is the result of a suite of selection pressures. As well as routine flight needs, constraints during moulting, habitat (particularly aquatic) and migratory requirements also affect flight feather morphology. Identifying the exact nature of these trade-offs will perhaps inform the reconstruction of the flying modes of extinct birds.
Data from: Wall structure and material properties cause viscous damping of swimbladder sounds in the oyster toadfish Opsanus tau
Despite rapid damping, fish swimbladders have been modelled as underwater resonant bubbles. Recent data suggest that swimbladders of sound-producing fishes use a forced rather than a resonant response to produce sound. The reason for this discrepancy has not been formally addressed, and we demonstrate, for the first time, that the structure of the swimbladder wall will affect vibratory behaviour. Using the oyster toadfish Opsanus tau, we find regional differences in bladder thickness, directionality of collagen layers (anisotropic bladder wall structure), material properties that differ between circular and longitudinal directions (stress, strain and Young's modulus), high water content (80%) of the bladder wall and a 300-fold increase in the modulus of dried tissue. Therefore, the swimbladder wall is a viscoelastic structure that serves to damp vibrations and impart directionality, preventing the expression of resonance.
Supplementary information for: "A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling".
<p>This is supplementary data for F1000Research article: A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling.</p> <p>Here are files for modeling archaerhodopsin-3 with I-TASSER, Medeller and RosettaCM algorithms, structure postprocessing and spectra calculations.</p> <p>Please, refer to the readme.txt for the description.</p>
DrugMol3D: An Expanded Collection of Molecular Data for Optimized Drug Structures and Descriptive Properties
Open the record for dataset details and reuse information.
Structural and chemical changes in He+ bombarded polymers and related performance properties
<p><span>Folder zawiera pliki excel, każdy z nich odpowiada jednemu wykresowi z publikacji i zawiera dane pozwalające na wykonanie wykresu.</span></p>
Potential and training data for 'Structure-property relations of silicon oxycarbides studied using a machine learning interatomic potential'
<p>Fitted potential, training and testing data.</p>
Dataset for "Zinc Germanium Nitrides and Oxide Nitrides: The Influence of Oxygen on Electronic and Structural Properties."
<p>Input files for the Quantum Espresso structure optimisations "*-relax.scf.in" and 12 x 12 x 12 MP-grid SCF "*-large-grid.scf.in" as well as lobster input files "*-lobsterin"</p>
Raw data: Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by Operando Ir L3-edge X-ray Absorption Spectroscopy
<p>Raw data for the manuscript titled:</p> <p><strong>Electronic and Structural Property Comparison of a Novel vs. a Commercial Iridium-based OER Catalysts Enabled by <em>Operando </em>Ir L3-edge X-ray Absorption Spectroscopy</strong></p> <p> </p>
Electronic structure properties of the SmartNanoTox data set (nanomaterials) for the use of meta models assesing cytotoxicity
<p>Important set of electronic structure properties data on the SmartNanoTox dataset consisting of large molecular systems representing coated materials. The data were used to study lung inflammation within a service offered through EU Horizon 2020 NanoCommons project.</p>
Data related to the publication "structure and transport properties of LiTFSI-based deep eutectic electrolytes from machine-learned interatomic potential simulations"
<p>Reference training and test datasets, trained ML potential models, and input scripts for the training (Allegro) and MD simulations (LAMMPS).</p>
Structural modulation of π-conjugated linkers in D-π-A dyes based on Triphenylamine dicyanovinylene framework to explore the NLO properties
<p>A donor-π-acceptor type series of Triphenylamine-dicyanovinylene based chromophores (<b>DPMN1-DPMN11</b>) was designed theoretically by the structural tailoring of π-linkers to exploit changes in the optical properties and their NLO behaviour. Density functional theory (DFT) computations were employed to understand the electronic structures, absorption spectra, charge transfer phenomena and the influence of these structural modifications on NLO properties. Interestingly, all investigated chromophores exhibited lower band gap (2.22-2.60 <i>eV</i>) with broad absorption spectra in the visible region, reflecting the remarkable NLO response. Furthermore, natural Bond Orbital (NBO) findings revealed a strong push-pull mechanism in <b>DPMN1-DPMN11 </b>as donor and π-conjugates exhibited positive, while all acceptors showed negative values. Examination of electronic transitions from donor to acceptor moieties via π-conjugated linkers revealed greater linear (<<i>α</i>>=526.536-641.756 <i>a.u</i>) and non-linear (<i>β</i><sub>tot</sub> =51313.8-314412.661 <i>a.u</i>) response. It was noted that the chromophores containing imidazole in 2<sup>nd</sup> p-linker expressed greater hyperpolarizability when compared with the ones containing pyrrole. This study reveals that by controlling the type of π-spacers, interesting metal-free NLO materials can be designed, which can be valuable for the hi-tech NLO applications.</p>
Scaling and structural properties of juvenile bull kelp (Nereocystis luetkeana) Data
<p>Bull kelp (<i>Nereocystis luetkeana</i>), the only canopy-forming kelp in the Salish Sea, provides primary production in the nearshore subtidal environment and serves as important habitat for economically and ecologically important species. An annual species, each year juvenile bull kelp sporophytes must grow from the hydrodynamically more benign benthos to the water column, where they experience substantial drag at the surface. Because of the differences in morphology and ecology across life stages, and the fact that previous work has focused mainly on adult bull kelp, we tested whether morphology and structural properties change with stipe length, investigating scaling of both juvenile (stipe length <40 cm) and mature (stipe length > 40cm) kelp, and testing how juvenile stipes fail. Juvenile bull kelp grow proportionally (isometric growth) when young, but lengthen more quickly than would be predicted by bulb size (negative allometry) at maturity. Based on our data, the predicted breakpoint between isometric and allometric growth occurred at about 33 cm, likely ~ one to two weeks of growth. Cross sectional area of the stipe, Force to failure, Work to failure, and stiffness (Young's Modulus) all grow more slowly than would be predicted based on length, while Maximum Stress and Toughness increase more quickly than predicted. There is no change in extensibility over the size range we tested, suggesting that this material property does not change with stipe length. The differences in biomechanics between juvenile and adult kelp are likely a response to the varied hydrodynamic environments experienced during the annual lifecycle, which highlights the importance of studying organisms across life stages.</p>
The Impact of Drying and Rehydration on the Structural Properties and Quality Attributes of Pre-Cooked Dried Beans
<p>The data used for the figures of the journal article is uploaded here.</p>
ActTemp+sMSA dataset of "Biasing AlphaFold2 to predict GPCRs and Kinases with user-defined functional or structural properties"
<p>PDB models generated with the protocol described in "Biasing AlphaFold2 to predict GPCRs and Kinases with user-defined functional or structural properties"</p>
Electronic Structure and Optical Properties of Tin Iodide Solution Complexes
<p>(TD)DFT+PCM study on the structural, electronic, and optical properties of 14 tin-iodide-solution complexes with the chemical formula SnI<sub>2</sub>M<sub>4</sub>, with M one of 14 common solvent molecules.</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.