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75 results for “structure optimization”
Experimental data linked to publication "Process optimization and study of the co-sintering behaviour of Cu-Ni multi-material 3D structures fabricated by spark plasma sintering (SPS)"
<p>Those are all the experimental data used to produce the plots in the article</p>
Data and code for: Evolution of aerial spider webs coincided with repeated structural optimization of silk anchorages
<p><strong>Data and Code for the article:</strong></p> <p><strong>Evolution of aerial spider webs coincided with repeated structural optimization of silk anchorages</strong><br> <br> <em>Jonas O. Wolff, Gustavo B. Paterno, Daniele Liprandi, Martín J. Ramírez, Federico Bosia, Arie van der Meijden, Peter Michalik, Helen M. Smith, Braxton R. Jones, Alexandra M. Ravelo, Nicola Pugno and Marie E. Herberstein</em><br> <br> Journal: <strong>Evolution</strong> <br> DOI: <a href="https://doi.org/10.1111/evo.13834">https://doi.org/10.1111/evo.13834</a> </p> <p>Github repository: https://github.com/paternogbc/Wolff_et_al_Evolution_aerial_spider_webs</p> <p><br> When using the <strong>data available</strong> in this repository, please cite the original publication. </p> <p>Contact jonas.wolff@mq.edu.au for any further information. </p> <p>Wolff, J. O., Paterno, G. B., Liprandi, D. , Ramírez, M. J., Bosia, F. , der Meijden, A. , Michalik, P. , Smith, H. M., Jones, B. R., Ravelo, A. M., Pugno, N. and Herberstein, M. E. (2019), <strong>Evolution of aerial spider webs coincided with repeated structural optimization of silk anchorages</strong>. Evolution. Accepted Author Manuscript. doi:10.1111/evo.13834</p>
Integrated Health Monitoring and Reinforcement of Transportation Structures with Optimized Low-Cost Multifunctional Braided Cables
<p>Corresponding data set for Tran-SET Project No. 17STTAM04. Abstract of the final report is stated below for reference:</p> <p>"The objective of this research study is to design, fabricate, and characterize multifunctional high strength and self-sensing braided cables and structures using novel Fe-based shape memory alloys (SMAs). The system exploits unique properties of recently developed low-cost super-elastic FeMnAlNi SMAs, which enables excellent super-elastic properties, high strength, and self-sensing in structural health monitoring (SHM) systems. This novel material technology can be coupled with modeling efforts that allow for accurate prediction of both the materials and structural response during sensing. At the conclusion of the project, we have demonstrated that with careful design of processing parameters, it is possible to control the yield strength and superleastic properties of FeMnAlNi SMAs. We have fabricated, for the first time in the world, a large diameter wires and bars from these inexpensive iron based SMAs which are expected to help with scaling up the fabrication of these materials. In addition, we were able to develop a method for fabricating braided cables from the fabricated Fe-SMA wires and a lab scale experimental setup has been designed and built. Prototype design for the braiding weave was created and tested. Finally, an experimental setup has been designed and manufactured to measure changes in the magnetic response of the SMA braided cables under load in order to directly correlate the magnetic response with deflection and strain. Clearly, the successful fabrication of wires and braided cables of the inexpensive iron based SMAs with superelastic strains comparable to nickel-titanium SMAs and with favorable magnetic sensing capabilities have significant implications for transportation infrastructure as these materials can provide structural health monitoring capability while also mitigating large shape changes during natural disasters. Future work needs to focus on revealing the coupling between mechanical properties (in particular damage) and the changes in magnetic properties in order to provide guidance on how these materials can be utilized in structural health monitoring."</p>
Data supporting the publication "Optimized Sandwich and Topological Structures for Enhanced Haptic Transparency"
<p>This dataset includes experimental modal responses of sandwich and topological structures, which are designed to enhance haptic transparency. </p>
Coarse-Grained and Multi-Dimensional Data-Driven Molecular Generation: A Structure-Based Framework for Selective Inhibitor Design and Optimization
<p><span>Many approaches not only fail to consider the intricate binding pocket interactions, leading to molecules with suboptimal properties and stability, but also struggle with designing selective inhibitors. To address this challenge, we have developed an innovative structure-based three-dimensional molecular generation framework named </span><span>Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein complex data with two-dimensional drug-like molecule data by utilizing coarse-grained pharmacophore points sampled from diffusion models, thereby enriching the training data for generative models.</span> <span>Through a hierarchical architecture, it decomposes the generation of three-dimensional molecules within the pocket into sampling of coarse-grained pharmacophore points, generating of chemical structures, and alignment of conformations, avoiding the instability issues associated with inherent in deep generative model-based generation of molecular conformations.<br><br>This project provide the source dataset used to train and evaluate the overall model.<br></span></p>
Optimized structures for Optical control of ultrafast structural motion in a fluorescent protein
<p>QM-MM Optimized structures of the<strong> </strong>hydrogen bonding configuration in states A1, A2 and Transition State (TS) between them for rsKiiro protein on ground (s0) and first excited (s1) states. Structures were optimized at PBE0-D3/cc-pVDZ//Amber03 level.</p>
Supplementary material and dataset for article "Structure-Function Relationship of Iron Oxide Nanoflowers: Optimal Sizes for Magnetic Hyperthermia Depending on Alternating Magnetic Field Conditions"
<p>The supporting information file contains additional measurements compared to the main manuscript of the related article: TEM size histograms, SAED and XRD patterns, absorption and fluorescence spectra, DC magnetization curves, AC hysteresis loops, HR-TEM, their FTT patterns and inverse FFT images after applying a mask in the reciprocal space, and various other plots of this multi-parametric study on the structure-properties relations of magnetic iron oxide nanoflowers. Whenever needed for comparison to other experimental results or theoretical fitting, the raw data of all DC magnetization curves, AC hysteresis loops, ZFC-FC magnetization curves vs. temperature (and their derivatives on temperature) are made freely available in this dataset.</p>
Structure parameter optimization and bearing limit analysis of the expansion unit of three-roller tube expander
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A multiscale optimization framework for bone remodeling: Integrating material and structural adaptations across hierarchical scales
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Optimal Defense Theory in an ant‐plant mutualism: extrafloral nectar as an induced defense is maximized in the most valuable plant structures
<ol> <li class="Normal1">Optimal Defense Theory (ODT) predicts that to maximize the benefits of defense against herbivores while minimizing its costs, plants will <span><span>invest in defenses</span></span> to structures according to their value and to the likelihood that they will be attacked. Constitutive defenses are expected in structures of high value, whereas induced defenses are expected in structures of low value. Regarding the biotic defense mediated by extrafloral nectaries (EFNs) and based on ODT, we predicted that under control conditions EFNs on higher-value structures would produce more nectar than would EFNs on lower-value structures, attracting more ants; however, when damaged, EFNs on higher-value structures would not increase the production of extrafloral nectar (since constitutive defenses should be employed in this region), whereas EFNs on lower-value structures would so (since induced defenses should be employed in this region), at a level commensurate with the extent of damage. </li> <li class="Normal1">Here we test these predictions in a Brazilian ant-plant mutualism. <i>Qualea multiflora</i> (Vochysiaceae), a savanna tree, presents EFNs on both lower-value structures (leaves) and higher-value structures (inflorescences). We simulated herbivory by cutting 10% or 40% of the leaves, or 10% of the flowers, then monitoring extrafloral nectar production and ant attendance. </li> <li class="Normal1">Extrafloral nectar volume and calorie content, as well as ant abundance, were higher in EFNs of inflorescences compared to EFNs of leaves both before and after simulated herbivory, consistent with one of our predictions. However, EFNs on both leaves and inflorescences, not leaves only, were induced by simulated herbivory, a pattern opposite to our prediction. Plants subjected to higher levels of leaf damage (i.e., more damage to lower-value tissues) <span><span>produced more and higher-calorie extrafloral nectar, but showed similar ant abundance, partially consistent with our prediction</span></span>. </li> <li class="Normal1"><span><span><span><span><span><span><span><span><span><span><span>Our results show that extrafloral nectar production before and after simulated herbivory, as well as the ant recruitment, vary according to the plant structure on which EFNs are located. Our study is unique showing that ant recruitment via extrafloral nectar follows predictions from Optimal Defense Theory, and that the ant foraging patterns may be shaped by the level and region damaged in the plant.</span></span></span></span></span></span></span></span></span></span></span></li> </ol>
Data from: Landscape resistance and habitat combine to provide an optimal model of genetic structure and connectivity at the range margin of a small mammal
We evaluated the effect of habitat and landscape characteristics on the population genetic structure of the white-footed mouse. We develop a new approach that uses numerical optimization to define a model that combines site differences and landscape resistance to explain the genetic differentiation between mouse populations inhabiting forest patches in southern Québec. We used ecological distance computed from resistance surfaces with Circuitscape to infer the effect of the landscape matrix on gene flow. We calculated site differences using a site index of habitat characteristics. A model that combined site differences and resistance distances explained a high proportion of the variance in genetic differentiation and outperformed models that used geographical distance alone. Urban and agriculture related land uses were, respectively, the most and the least resistant landscape features influencing gene flow. Our method detected the effect of rivers and highways as highly resistant linear barriers. The density of grass and shrubs on the ground best explained the variation in the site index of habitat characteristics. Our model indicates that movement of white-footed mouse in this region is constrained along routes of low resistance. Our approach can generate models that may improve predictions of future northward range expansion of this small mammal.
DrugMol3D: An Expanded Collection of Molecular Data for Optimized Drug Structures and Descriptive Properties
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XYZ files of geometry optimized structures of TTM-TTM by DFT
<p>XYZ files of calculated geometry optimized structures of <strong>TTM-TTM </strong>by DFT methods ((U)B3LYP-D3/def-SVP).</p> <p>For unconstrained (uncon) geometry optimizations the initial structures were extracted from a single crystal structure.</p> <p>For the constrained geometry opimizations (XCH23065 and XCH23116) only the positions of the hydrogen atoms were optimized within the crystal structure.</p>
Wing Microstructure - Optimizing micro-tiles in micro-structures as a design paradigm.
<p>This microstructure has been created using tools and algorithms developed at the Technion, and are part of the IRIT geometric modeling kernel (<a href="https://www.cs.technion.ac.il/~irit/">https://www.cs.technion.ac.il/~irit/</a>).</p> <p>This specific wing is a functional composition of trivariate spline tiles inside a macro trivariate shape of a wing.</p> <p>Model is provided in IGES format, as B-spline surfaces.</p>
Dataset: Architectural Optimization for Confidentiality under Structural Uncertainty
<p>Dataset for the publication Architectural Optimization for Confidentiality under Structural Uncertainty. The Zip file contains eclipse products containing our used models for the evaluation.</p> <p> </p> <p> </p>
Optimized structures of imine-linked donor-acceptor covalent organic frameworks
<p>Structures of covalent organic frameworks (COFs) optimized using PBE+D3. Includes the pure COFs, protonated versions (with ascorbate as the anion), and intermediates of the oxygen evolution and hydrogen evolution reactions. The COFs were experimentally described by Yang et al., Nature Commun. 13, 6317, 2022 (DOI: <a title="Externen Link im neuen Fenster öffnen" href="http://doi.org/10.1038/s41467-022-33875-9" target="_top">10.1038/s41467-022-33875-9</a>).</p> <p>This set of files is part of a manuscript published in Phys. Chem. Chem. Phys: <a title="Link to landing page via DOI" href="https://doi.org/10.1039/D4CP02019G">https://doi.org/10.1039/D4CP02019G</a></p>
Nasal organoids as optimal models for studying structure and function of primary nasal epithelial cell cultures - DIA-MS Dataset
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Research data for: "Band Structure Interpolation using Optimized Local Orbitals from Linear-Scaling Density-Functional Theory"
<p>This file was created by Laura E. Ratcliff on 23rd March 2018. It contains the input files employed for the ONETEP and CASTEP calculations in the above publication.</p> <p>Directory Listing:</p> <p>castep/</p> <p>Contains the input files used to generate the CASTEP reference data.</p> <p>onetep/</p> <p>Contains the input files used to generate all of the ONETEP data, where filenames are labelled with the number of repeat CNT units, val (cond) indicates a valence (conduction) calculation and the suffixes follow a similar labelling convention to that employed in the manuscript.</p>
Symmetric Positive Definite Convolutional Network for Surrogate Modeling and Optimization of Modular Structures
<p>This is the training data for the paper "Symmetric Positive Definite Convolutional Network for Surrogate Modeling and Optimization of Modular Structures"</p>
Diberyllocene: xyz-coordinates of optimized structures
<p>The complex diberyllocene, CpBeBeCp (Cp = cyclopentadienyl anion), has been the subject of numerous chemical investigations over the past five decades, yet has eluded experimental characterization. Here we report preparation and isolation of the compound by the reduction of beryllocene (BeCp<span><sub>2</sub>) </span>with a dimeric magnesium(I) complex and determination of its structure in the solid state by x-ray crystallography. Diberyllocene acts as a reductant in reactions that form beryllium bonds to aluminum or zinc. Quantum chemical calculations indicate parallels between the electronic structure of diberyllocene and the simple homodiatomic species diberyllium (Be<span><sub>2</sub>).</span></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.