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8 results for “Mechanochemistry”
Polymer Mechanochemistry in Microbubbles
<p>Data of the associated manuscript and supplementary information sorted after Figures with associated sub panels.</p>
Data for "Mechanochemistry of Phosphate Esters Confined between Sliding Iron Surfaces"
<p>Data from nonequilibrium Molecular Dynamics simulation of tri(n-butyl)phosphate confinid between sliding iron surfaces at 400K and 2GPa conditions, from Mechanochemistry of Phosphate Esters Confined between Sliding Iron Surfaces (10.21203/rs.3.rs-608818). Other conditions, and simulations of tri(s-butyl)phosphate simulations, are available on request.</p> <p> </p> <p>The data contains the reaxff bonding information from reaxff (bonds_*.txt), the trajectories (dump_*.lammpstrj) and the vertical and horizontal forces on the wall (fc_ave.dump), from which the shear and friction are calculated.</p>
In vivo polymer mechanochemistry with polynucleotides
<p>Original data underpinning Figures, Schemes, Videos, and Tables of the manuscript and supplementary information.</p>
Deciphering Ball Milling Mechanochemistry via Molecular Simulations of Collision‐Driven and Liquid‐Assisted Reactivity
<p>The direct study of mechanical activation events in ball milling mechanochemistry is, at present, not directly accessible experimentally, which prompted us to examine it by theoretical modelling. We use molecular dynamics simulations to describe mechanical activation by fragmentation of crystal particles down to individual atoms, ions and ion pairs, and monitor subsequent product formation and agglomeration under neat and liquid-assisted conditions. We demonstrate that a small amount of the liquid additive facilitated product formation, while too much of it destabilised the product by stabilising the reactants. Our approach provides a fresh and detailed view of mechanochemistry that could allow for its theoretical optimisation including the targeted choice of a catalyst and its loading. </p>
Data from: First-principles investigation of surface mechanochemistry of transition metal phosphides under oxygen and benzene atmospheres
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Sequence-specific, mechanophore-free mechanochemistry of DNA
<p>Original Data underpinning Figures, Schemes, and Tables of the Manuscript and Supplementary Information.</p>
Data from: Post-Turing tissue pattern formation: advent of mechanochemistry
Chemical and mechanical pattern formation is fundamental during embryogenesis and tissue development. Yet, the underlying molecular and cellular mechanisms are still elusive in many cases. Most current theories assume that tissue development is driven by chemical processes: either as a sequence of chemical patterns each depending on the previous one, or by patterns spontaneously arising from specific chemical interactions (such as "Turing-patterns"). Within both theories, mechanical patterns are usually regarded as passive by-products of chemical pre-patters. However, several experiments question these theories, and an increasing number of studies shows that tissue mechanics can actively influence chemical patterns during development. In this study, we thus focus on the interplay between chemical and mechanical processes during tissue development. On one hand, based on recent experimental data, we develop new mechanochemical simulation models of evolving tissues, in which the full 3D representation of the tissue appears to be critical for obtaining a realistic mechanochemical behaviour. The presented modelling approach is flexible and numerically studied using state of the art finite element methods. Thus, it may serve as a basis to combine simulations with new experimental methods in tissue development. On the other hand, we apply the developed approach and demonstrate that even simple interactions between tissue mechanics and chemistry spontaneously lead to robust and complex mechanochemical patterns. Especially, we demonstrate that the main contradictions arising in the framework of purely chemical theories are naturally and automatically resolved using the mechanochemical patterning theory.
Data from: Post-Turing tissue pattern formation: advent of mechanochemistry
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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.