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1,723 results for “Reactivation”
Comparison of State-of-the-Art Reactive Auto-Scaler in 3 Different Environments
<p>We investigate the hypothesis "The scaling behavior of a standard, reactive, CPU utilization-rule-based auto-scaler depends on the environment". Hence, we implement such an auto-scaler for scaling a CPU-intensive application as a benchmark in three different environments: (i) a private Cloud, (ii) AWS EC2 and (iii) IaaS cloud of the Distributed ASCI Supercomputer 4 (DAS-4).</p>
dStruct: identifying differentially reactive regions from RNA structurome profiling data, Datasets.
<p>Datasets, code and results supporting the manuscript:</p> <p>Choudhary, K., Lai, Y.-H., Tran, E. J. & Aviran, S. dStruct: identifying differentially reactive regions from RNA structurome profiling data.</p>
Dataset "Reactivity for safe operation"
<p>Dataset "Reactivity for safe operation" described in Deliverable D9.5 "Final Data Management Plan" of the AEROARMS project, funded by the Horizon 2020 research and innovation programme of the European Commission under grant agreement No 644271.</p>
Russian social contact data relative to reactive school closure policies
<p>The dataset consists of individual contact diaries collected in Tomsk, Russia, in 2016. The dataset contains contact information for both for regular school/work days and for days when classes/schools are closed as a consequence of a reactive school closure strategy.<br> <br> This record consists of the dataset associated with M. Litvinova, Q.-H. Liu, E. S. Kulikov, M. Ajelli, Reactive school closure weakens the network of social interactions and reduces the spread of influenza. PNAS, 116(27):13174-13181, 2019.</p>
Fault reactivation during fluid pressure oscillations: transition from stable to unstable slip
<p>This is the ReadMe file corresponding to the study entitled: "Fault reactivation during fluid pressure oscillations: transition from stable to unstable slip"</p> <p>By Noël C., Passelègue X.F, Giorgetti C., Violay M.</p> <p>This study has been published in the Journal of Geophysical Research: Solid Earth under Copyright on October 2019. <br> doi:</p> <p>This Read-Me file has been last edited on October 2019</p> <p>This readme file describes the data repository and supplementary files accompanying the above publication. <br> For any further queries please contact corentin.noel@epfl.ch</p>
Predominance of Secondary Organic Aerosol to Particle-bound Reactive Oxygen Species Activity in Fine Ambient Aerosol
<p>Reactive oxygen species (ROS) are believed to contribute to the adverse health effects of aerosols. This may happen by inhaled particle-bound (exogenic) ROS (PB-ROS) or by ROS formed within the respiratory tract by certain aerosol components (endogenic ROS). We investigated the chemical composition of aerosols and their exogenic ROS content at the two contrasting locations Beijing (China) and Bern (Switzerland). We apportioned the ambient organic aerosol to different sources and attributed the observed water-soluble PB-ROS to them. The oxygenated organic aerosol (OOA, a proxy for secondary organic aerosol, SOA) explained the highest fraction of the exogenic ROS concentration variance at both locations. We also characterized primary and secondary aerosol emissions generated from different biogenic and anthropogenic sources in smog chamber experiments. The exogenic PB-ROS content in the OOA from these emission sources was comparable to that in the ambient measurements. Our results imply that SOA from gaseous precursors of different anthropogenic emission sources is a crucial source of water-soluble PB-ROS and should be additionally considered in toxicological and epidemiological studies in an adequate way besides primary emissions. The importance of PB-ROS may be connected to the seasonal trends in health effects of PM reported by epidemiological studies, with elevated incidences of adverse effects in warmer seasons, which are accompanied by more intense atmospheric oxidation processes.</p>
Chondritic reactivity under H2-rich atmospheres: Formation of H2S. Computational Data.
<p>This supporting material includes:</p> <ul> <li>Cartesian coordinates of the PBE-optimized minima and transition states for the studied reactions, provided in both XYZ and CIF formats.</li> <li>Examples of input and output files used with the <a href="https://www.cp2k.org/">CP2K</a> package.</li> <li>Vibrational analysis, including all calculated frequencies.</li> </ul>
Dataset: Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene intermediates
<p>The derived data is part of a manuscript submitted to the journal Green Chemistry, entitled "Catalytic pyrolysis mechanism of lignin moieties driven by aldehyde, hydroxyl, methoxy, and allyl functionalization: the role of reactive quinone methide and ketene intermediates". [DOI https://doi.org/10.1039/d4gc03143a. This work is supported by the Swiss National Science Foundation (project number 200021_178952)</p> <p>Raw data can be found: https://doi.org/10.16907/1ac46f03-6e1b-4230-b5c0-3df2cec87b5e</p> <p>The raw Photoelectron Photoion Coincidence (PEPICO) data were obtained during catalytic fast pyrolysis of eugenol, vanillin, syringol over H-ZSM-5 and HFAU. The analysis software can be obtained from: https://www.psi.ch/en/sls/vuv/pepico. The folders contain mass spectra and threshold photoelectron raw data at different reactor temperatures.</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>
Reactive Passivation of Wide-Bandgap Organic–Inorganic Perovskites with Benzylamine
<p>NMR data for "Reactive Passivation of Wide-Bandgap Organic–Inorganic Perovskites with Benzylamine"- JACS, 2024, 10.1021/jacs.4c06659</p>
Flow cytometry data and image data -A dendritic cell vaccine for both vaccination and neoantigen-reactive T cell preparation for cancer immunotherapy in mice
Open the record for dataset details and reuse information.
The 2021-2022 Fukushima-Oki Earthquakes in Northeastern Japan: Dehydration Triggered Fault Reactivation Boosted by Slab Segmentation
<p>codes.rar: codes of double-difference seismic tomography</p> <p>catalog.dat: earthquake phase catalog used in the DD tomography</p> <p>station.dat: station coordinates of the seismic network </p> <p>MOD: grids in the initial Vp and Vp/Vs models</p> <p>Vp_model.dat: inverted 3-D Vp model</p> <p>Vs_model.dat: inverted 3-D Vs model</p> <p>VpVs_model.dat: inverted 3-D Vp/Vs model</p> <p>earthquake.reloc: relocations of the earthquakes</p>
ReaxANA: Analysis of Reactive Dynamics Trajectories for Reaction Network Generation
<p><span>ReaxFF simulations, QM calculation input/output files, and Jupyter notebooks for data analysis and visualization.</span></p>
Theoretical Design and Synthesis of Metal-Inorganic Frameworks Using Host Atom-Centered Building Blocks for Efficient Catalysis with Diverse Reactive Sites
<p><strong>ML_ABN</strong> is a necessary file for training machine learning potentials using VASP. It contains the structural details and energies of the training set. <strong>ML_FFN</strong> is the force field file obtained after training. <strong>Test_DataSet.zip</strong> contains the test set with 900 structures, and <strong>Test_DataSet_Energy.xlsx</strong> stores the energies of these structures after being evaluated by DFT.</p>
Overriding Intrinsic Reactivity in Aliphatic C−H Oxidation: Preferential C3/C4 Oxidation of Aliphatic Ammonium Substrates
<p>Data underlying the figures in the publication “Overriding Intrinsic Reactivity in Aliphatic C−H Oxidation: Preferential C3/C4 Oxidation of Aliphatic Ammonium Substrates”, published in <em>Angew. Chem. Int. Ed.</em> <strong>2020</strong>, 59, 12387 –12391. <a href="https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202004242">https://onlinelibrary.wiley.com/doi/full/10.1002/anie.202004242</a></p> <p>Table of contents:</p> <p><strong>1. Scheme 1- General Procedure</strong>; Word file with all general procedures for the synthesis of the compounds depicted in <em>Scheme 1.</em></p> <p><strong>2. Scheme 1 - NMR Spectra</strong>; Mnova file with all NMR spectra for the compounds depicted in S<em>cheme 1</em>.</p> <p><strong>3. Figure 2+3 + Table 1 - GC Calculation</strong>; Excel file with the calculations for the data depicted in <em>Figure 3</em> and <em>Table 1</em>.</p> <p><strong>4. Figure 2+3 + Table 1 - GC Calculation_2</strong>; Excel file with the calculations for the data depicted in <em>Figure 3</em> and <em>Table 1</em>.</p> <p><strong>5. Figure 3-Origin -Graphs</strong>; Origin file for the graphs depicted in <em>Figure 3</em>.</p> <p><strong>6. Paper Inside Active -3270 kJmol - Pymol Model</strong>; .pdb file with the Pymol model for the inner binding mode in F<em>igure 3</em>.</p> <p><strong>7. Paper Outside Active -3446 kJmol - Pymol Model</strong>; .pdb file with the Pymol model for the outer binding mode in <em>Figure 3.</em></p>
Raw data for the publication entitled -"Local disorder in calcined kaolinitic clays for pozzolanic early-age reactivity understanding: A Synchrotron Pair Distribution Function study-"
<p>Raw data for the publication entitled -"Local disorder in calcined kaolinitic clays for pozzolanic early-age reactivity understanding: A Synchrotron Pair Distribution Function study-". This includes: raw data for calorimetry, SXRPD,LXRPD,NMR and PSD.</p>
An Improved Tandem Neural Network Architecture for Inverse Modeling of Multicomponent Reactive Transport in Porous Media
<p>This data includes the training and testing dataset for DNN design and the observation data of synthetic example for validation. </p> <p>The code of TNNA-AUS inversion method.</p>
An approach for modelling simultaneous fluid-phase and chemical reaction equilibria in multicomponent systems via Lagrangian duality: The reactive HELD algorithm.
<p>This is a data set associated with the paper <em>An approach for modeling simultaneous fluid-phase and chemical reaction equilibria in multicomponent systems via Lagrangian duality: The reactive HELD algorithm. </em>by Felipe A. Perdomo, George Jackson, Amparo Galindo, Claire S. Adjiman. The manuscript is presented as a proceeding of the 33<sup>rd</sup> European Symposium on Computer-Aided Process Engineering (ESCAPE33), June 18-21, 2023, in Athens, Greece.</p>
CH2O coordinate manifolds and their analysis for the paper "A global view of reactive coordinate manifolds from nonlinear dimensionality reduction"
<p>This dataset contains the the following data created for the paper "A global view of reactive coordinate manifolds from nonlinear dimensionality reduction" by Dmitrij Rappoport.</p> <p>The data was generated using the manic open-source code that is publicly accessible at https://bitbucket.org/rappoport/manic/.</p> <p>All the data in this dataset is for the CH2O coordinate manifold</p> <p>Data listing:</p> <p>MCMC chains (using uniform sampling, average-distance weighted sampling, Jacobian-norm weighted sampling)<br> - mcmc/uniform-sampling<br> - mcmc/ave-distance-weighted<br> - mcmc/jacobian-norm-weighted</p> <p>MLE dimension estimates (from uniform sampling, average-distance weighted sampling, Jacobian-norm weighted sampling)<br> - mle/uniform-sampling<br> - mle/ave-distance-weighted<br> - mle/jacobian-norm-weighted</p> <p>Isomap embeddings for d = 2, 3, 4, 6 (from uniform sampling, average-distance weighted sampling, Jacobian-norm weighted sampling)<br> - isomap/uniform-sampling<br> - isomap/ave-distance-weighted<br> - isomap/jacobian-norm-weighted</p> <p>LLE embeddings for d = 2 (from uniform sampling)<br> - isomap/uniform-sampling</p> <p>Embedding of critical points of the CH2O PES in coordinate manifolds (from uniform sampling, average-distance weighted sampling, Jacobian-norm weighted sampling)<br> - isomap-nystrom/uniform-sampling<br> - isomap-nystrom/ave-distance-weighted<br> - isomap-nystrom/jacobian-norm-weighted</p>
Artifact for ICSE'23 paper: Using Reactive Synthesis: An End-to-End Exploratory Case Study
<p>Artifact for ICSE'23 paper: Using Reactive Synthesis: An End-to-End Exploratory Case Study </p>
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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.