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2,118 results for “Metal”
"Fruity" Dye-based Fluorescent Nanoparticles (dFONs): A Fully Organic Counterpart of Alloy and Core-Shell Metallic Nanoparticles. Tuning Topology to Maximize Nano-interfacial Promoted Fluorescence Enhancement
<p>Data set related to the production of the figures in the article "“Fruity” Dye-based Fluorescent Nanoparticles (dFONs): A Fully Organic Counterpart of Alloy and Core-Shell Metallic Nanoparticles. Tuning Topology to Maximize Nano-interfacial Promoted Fluorescence Enhancement" by Kurek et al.</p> <p> </p> <p>The data are in txt, lif and opju format, organised by figure and sub-figures and compressed. </p>
Assessment of Heavy Metals in different Organs of Hypophthalmichthys molitrix and Catla catla from different sites of Punjab, Pakistan
<p>Assessment of Heavy Metals in different Organs of <br>Hypophthalmichthys molitrix and Catla catla from different sites of <br>Punjab, Pakistan </p>
Unveiling the mechanism of CO2 electroreduction to C1 and C2 products on ordered double transition metal MXenes.
<p><span>we use rigorous first principles simulations to comprehensively screen and explore the CO<sub>2</sub> reduction activity of twelve different two-dimensional ordered double transition metal MXenes. Our results indicate that all the twelve MXenes show metallic characteristics and can activate CO<sub>2</sub> significantly with strong binding energy.The electronic structure analysis reveals the charge redistribution from MXene catalysts to the antibonding states of CO<sub>2</sub> results in strong hybridization between CO<sub>2 </sub>orbitals and surface metal orbitals. The strong CO<sub>2</sub> binding is further affirmed by the enhanced charge transfer from MXene to the adsorbed CO<sub>2</sub> molecule. Simulations based on the free energy pathways show that Mo<sub>2</sub>TaC<sub>2</sub> and Mo<sub>2</sub>TiC<sub>2 </sub>possess superior catalytic activity for conversion of CO<sub>2</sub> to methanol and methane with very low limiting potential values of <span><span>-0.35 and -0.39 V respectively where as Mo<sub>2</sub>TaC<sub>2</sub> and Mo<sub>2</sub>VC<sub>2</sub> were found to display excellent performance for ethanol formation with record low limiting potential of -0.32 V and -0.42 V respectively.</span></span></span></p>
reseach data for the paper RAPID METHOD FOR SCREENING OF BOTH CALCIUM AND MAGNESIUM CHELATION WITH COMPARISON OF 21 KNOWN METAL CHELATORS
<p>research data usef for the paper RAPID METHOD FOR SCREENING OF BOTH CALCIUM AND MAGNESIUM CHELATION WITH COMPARISON OF 21 KNOWN METAL CHELATORS in Journal of Biological Inorganic Chemistry</p>
X-Shooting ULLYSES: Massive Stars at low metallicity VI. Atmosphere and mass-loss properties of O-type giants in the SMC
<p>Figures from X-Shooting ULLYSES: Massive Stars at low metallicity VI. Atmosphere and mass-loss properties of O-type giants in the SMC. The individual fits of the stars and their explored parameter space. </p> <p>Caption:</p> <p>Overview of the fitting results of AV\,80. The \textit{top} part shows the line profiles included in the fitting process, with the name of each feature indicated in the bottom left. The green line shows the best fit, with the shaded region showing the 1$\sigma$ uncertainty on the model fit. The black vertical bars indicate the observed flux, with the length indicating the uncertainty. The horizontal axis shows the wavelength in \AA. The \textit{bottom} part shows the distribution of $1/\chi^2_{\rm r}$ for each parameter (indicated on the top left), with $\chi^2_{\rm r}$ the reduced $\chi^2$ value. Each scatter point indicates one {\sc Fastwind} model calculated by Kiwi-GA. The color indicates the generation in which the model was computed, with light gray the first generation and black the last. The vertical yellow line indicates the best fit value for each parameter, and the shaded regions are the 1 and 2 $\sigma$ confidence intervals. The distributions in the red shaded area are from the optical only GA fit.</p>
Supplementary initial and final MD configurations for the manuscript: General-purpose machine-learned potential for 16 elemental metals and their alloys
<p>Extended XYZ files for the initial and final configurations of the molecular dynamics simulations from the article 'General-purpose machine-learned potential for 16 elemental metals and their alloys' (https://arxiv.org/abs/2311.04732).</p> <p><span>The Supplementary Data is contained in the folder named:<br>1) Polycrystalline-MoTaVW: <span> </span>The plasticity MD simulations in multi-principal element alloys.</span></p> <p><span>2) MoTaVW-radiation: The primary radiation damage MD simulations in multi-principal element alloys.</span></p> <p><span>3) Goldene: Comparisons between UNEP-v1 and EAM models in MD simulations.</span></p> <p><span>4) NiAlMo: Comparisons between UNEP-v1 and EAM models in MCMD simulations.<br>5) AlCrCuNiV: Comparisons between UNEP-v1 and EAM models in MCMD simulations.</span></p>
Source Data for the manuscript: General-purpose machine-learned potential for 16 elemental metals and their alloys
<p>***Source Data***<br>This folder contains multiple .txt files that provide the source data for the figures and tables presented in the paper: "General-purpose machine-learned potential for 16 elemental metals and their alloys."</p> <p>The source data are organized in the following folders and files:</p> <p>1) Fig2<br>2) Fig3<br>3) Fig4<br>4) Fig5<br>5) Fig6<br>6) FigS1<br>7) FigS2<br>8) FigS3<br>9) FigS4-6-pure<br>10) FigS7-9-binary<br>11) FigS10-12-ternany<br>12) FigS13-15-quaternary<br>13) FigS16-17-quinary<br>14) FigS18-20<br>15) FigS21<br>16) FigS22<br>17) FigS23<br>18) FigS26<br>19) Table1-Element-atoms-GPU-Speed.txt<br>20) Table-S1-DFT-EAM-UNEP-Elastic.txt<br>21) Table-S2-DFT-EAM-UNEP-Mono-vacanc.txt<br>22) Table-s3-Surface-100-110-111-DFT-EAM-UNEP.txt<br>23) Table-S4-Melting-EAM-UNEP-Exp.txt</p>
Digital Design and Discovery of Biological Metal-Organic Frameworks for Gas Signaling
<p>This repository contains the structures, features and compositions of Bio-hMOFs database.</p> <ol> <li>Fragments and Composition: Contains the building block fragments used to generate the Bio-hMOFs.</li> <li>Structures-CIFs: Contains the structures of Bio-hMOFs</li> <li>Geometric and RACs: Contains the geomtric and RACs features of Bio-hMOFs</li> <li>Adsorption Capacity: Contains the adsorption uptake of NO and CO adsorption simulated under 298K under 1 bar and 10 bar.</li> <li>Mechanical Properties; Computed mechanical properties</li> </ol>
Force-Activated Spin-Crossover in Fe2+ and Co2+ Transition Metal Mechanophores
<p>Data associated with the manuscript titled "Force-Activated Spin-Crossover in Fe2+ and Co2+ Transition Metal Mechanophores"</p>
Exergy replacement cost of metals in 2024 in Spain
<p>Exergy replacement cost of Bulk and Technological metals in 2024, of the technologies for the energy and digital transition and tailings from old mines in Spain</p> <p>Bulk Metals: Al, Cu, Ni, Mn</p> <p>Technological Metals: Ag, Au, Co, Li, Nd, Dy, Pd, Pt</p> <p>(Compositions of mines in the dataset: <a href="https://doi.org/10.5281/zenodo.14017909" target="_blank" rel="noopener">https://doi.org/10.5281/zenodo.14017909</a>)</p>
Metal limiting habitability in Enceladus? Availability of trace metals for methanogenic life in hydrothermal fluids [Dataset]
<p>All measurement and calculation data are uploaded.</p> <p>Version 4 was uploaded on 2024-11-06 for revision.</p> <p>The file name "T24_calculation_data_Fig9_Fig10.xlsx" and a description in the file for Figure 9 have been modified in order to correctly correspond to the figure. *The previous file name "T24_calculation_data_Fig8_Fig10.xlsx".</p>
Data Set: "From structure to electrochemistry: The Influence of Transition Metal Ordering on Na+/vacancy Orderings in P2-type NaxMO2 Cathode Materials for Sodium-Ion Batteries"
<p>This is the data set associated with the following publication: <strong>From structure to electrochemistry: The Influence of Transition Metal Ordering on Na+/vacancy Orderings in P2-type NaxMO2 Cathode Materials for Sodium-Ion Batteries,</strong> Lukas Fridolin Pfeiffer, Manuel Dillenz, Nora Burgard, Premysl Beran, Daniel Roscher, Maider Zarrabeitia, Paul Drews, Charles Hervoches, Daria Mikhailova, Ahmad Omar, Volodymyr Baran, Neelima Paul, Mohsen Sotoudeh, Michael Busch, Margret Wohlfahrt-Mehrens, Axel Groß, Stefano Passerini, Peter Axmann<em>, Journal of Materials Chemistry A, 2024, DOI: 10.1039/d4ta04786a<br></em></p> <p>The data set is organised along the figures of the publication.</p>
Light-Induced Polaronic Crystals in Single-Layer Transition Metal Dichalcogenides
<p>Publication set for Light-Induced Polaronic Crystals in Single-Layer Transition Metal Dichalcogenides,</p> <p>Nano Letters <span>2024</span><span>, 24</span><span>, 42</span><span>, 13179–13184, <a title="DOI URL" href="https://doi.org/10.1021/acs.nanolett.4c03065">https://doi.org/10.1021/acs.nanolett.4c03065</a></span></p> <p> </p>
From the Sachdev-Ye-Kitaev model to theories of strange metals and charged/rotating black holes
<p>International Conference on Bose-Einstein Condensation, Superconductivity, Superfluidity and Quantum Magnetism <br>S. N. Bose National Centre for Basic Sciences, Kolkata November 12-16, 2024</p>
The role of biotic interactions in determining metal hyperaccumulation in plants
<p>• Heavy metal hyperaccumulation (MH) is a rare trait found in plant species that inhabit metal contaminated soils. Two main hypotheses proposed to explain the selective advantage of MH are the elemental defense hypothesis and elemental allelopathy hypothesis. The elemental defence hypothesis suggests that MH functions as defence against herbivores while the elemental allelopathy hypothesis suggests that MH acts to inhibit the growth of neighbours. Nevertheless, these hypotheses are not likely to be mutually exclusive. Here, we present the first study to test both hypotheses simultaneously. We examined these hypotheses with the Cd hyperaccumulator Arabidopsis halleri, which inhabits both metalliferous and non-metalliferous soils, thus providing an opportunity to test the hypotheses both habitats.</p> <p>• A. halleri plants originating from several populations in both metalliferous and non-metalliferous soils were grown in a greenhouse in soils with or without cadmium (Cd), Their leaves were used in a feeding experiment with a specialist herbivore and in a set of leaf-leachate experiments that tested their effect on seed germination and seedling establishment of species co-occurring with A. halleri. Finally, a field survey in several A. halleri populations was conducted to compare herbivore load between A. halleri and neighbours from metalliferous vs. non-metalliferous soils.</p> <p>• Results of the feeding experiment and field-survey suggest that Cd accumulation in A. halleri leaves could provide it with defence against herbivores. Results of the leaf-leachate experiments reveal that Cd accumulation has no effect on seed germination of neighbouring species but inhibits seedling establishment, particularly of plant species originating from non-metalliferous soils.</p> <p>• Our results suggest that both herbivores and competing neighbours may jointly select for MH in plants. Moreover, MH could provide a selective advantage particularly in non-metalliferous soils, where neighbouring plants lack metal tolerance. These results highlight the importance of including different origins and populations of both the target species and its neighbouring plant species when studying the ecological role of metal hyperaccumulation.</p>
Supplementary data for "Beyond radical-rebound: Methane oxidation to methanol catalyzed by iron species in metal–organic framework nodes"
<p>Cartesian coordinates in the *.XYZ format for all the structures optimized at the M06-L/def2-TZVP in the reactivity study as part of the article "Beyond radical-rebound: Methane oxidation to methanol catalyzed by iron species in metal-organic framework nodes" (<a href="https://doi.org/10.1021/jacs.1c04766">https://doi.org/10.1021/jacs.1c04766</a>)</p>
Transverse barrier formation by electrical triggering of a metal-to-insulator transition
<p>Application of an electric stimulus to a material with a metal-insulator transition can trigger a large resistance change. Resistive switching from an insulating into a metallic phase, which typically occurs by the formation of a conducting filament parallel to the current flow, is a highly active research topic. Using the magneto-optical Kerr imaging, we found that the opposite type of resistive switching, from a metal into an insulator, occurs in a reciprocal characteristic spatial pattern: the formation of an insulating barrier perpendicular to the driving current. This barrier formation leads to an unusual N-type negative differential resistance in the current-voltage characteristics. We further demonstrate that electrically inducing a transverse barrier enables a unique approach to voltage-controlled magnetism. By triggering the metal-to-insulator resistive switching in a magnetic material, local on/off control of ferromagnetism is achieved using a global voltage bias applied to the whole device.</p>
Figs. 1–4. Pandeleteius species. 1 in Two New Species of Metallic GreenPandeleteiusSchönherr, 1834 (Coleoptera: Curculionidae: Entiminae: Tanymecini) from the West Indies
Figs. 1–4. Pandeleteius species. 1) P. anneae, female, dorsal habitus; 2) P. anneae, female, lateral habitus;
Figs. 5–8. Pandeleteius species. 5 in Two New Species of Metallic GreenPandeleteiusSchönherr, 1834 (Coleoptera: Curculionidae: Entiminae: Tanymecini) from the West Indies
Figs. 5–8. Pandeleteius species. 5) P. anneae, female genitalia, dorsal view; 6) P. metallicus, female genitalia, dorsal view; 7) P. metallicus, male aedeagus, dorsal view; 8) P. metallicus, male aedeagus, lateral view.
Experimental variation in the spatial deposition of trace metals in feathers revealed using synchrotron x-ray fluorescence
<p>Feathers can be used to investigate exposure to pollution in birds because they are a secondary route for the excretion of trace elements. Evidence based on analytical imaging and spectroscopy suggests that the spatial distribution of the essential trace element zinc within feathers is related to melanin pigmentation. However, our understanding of how trace elements are deposited into growing feathers is poor and has been hampered by a lack of analytical tools to examine the localization of trace elements within a feather. Here, synchrotron micro X-ray fluorescence spectroscopy was used to map zinc directly within the barb and barbules of lesser scaup (<em>Aythya affinis</em>) feathers grown after experimental increases in dietary zinc. The results showed distinct spatial variation in zinc within barbs and barbules, with higher levels observed in the latter. Furthermore, increases in dietary zinc were found to increase the relative levels of zinc throughout the barbules from the base to the tip of the feather. Finally, analysis of feather cross sections revealed that regions of the feather barb and barbules with higher melanosome density also contained higher levels of zinc. These results provide a more detailed understanding of zinc and melanosome arrangement within the feather barb and barbules. Moreover, these results provide further support for the use of feathers as a noninvasive tool to study exposure to trace elements and highlight the utility of X-ray spectroscopy in studies investigating impacts of a rapidly changing environment on<br> wild bird health. </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)
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DANDI Archive for NWB datasets
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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.