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335 results for “Theoretical”
Theoretical analysis of reliability of the "Hypothesis of the atomic (quantum) motion"
<p>This article is based on the "Hypothesis of the atomic (quantum) motion", <br>registered on the site of intellectual protection: <br>http://www.a-priority.ru/Priority/1estestv/1estestv_catalog.html?SHOWALL_1=1 <br>registration number: A1B031 (project of the European Academy of Natural <br>Sciences). <br>The content of the article is the theoretical test of the reliability of the hypothesis, <br>that based on - the famous discovery of the wave properties of the material bodies by Louis de <br>Broglie; - centripetal acceleration of the planets of the solar system. <br>The theoretical test of the reliability of the hypothesis is indicate the need for <br>further research to confirm the hypothesis, which is the goal of this article. </p>
Constant - quantum of speed or continuation of theoretical analysis of the reliability of the "Hypothesis of atomic (quantum) motion"
<p><span><span> В основу статьи легла моя «Гипотеза атомного (квантового) движения», зарегистрированная на </span></span><br><span><span>сайте по защите интеллектуальной собственности: </span></span><br><span><span>http://www.a-priority.ru/Priority/1estestv/1estestv_catalog.html?SHOWALL_1=1 </span></span><br><span><span>регистрационный номер: A1B031 (проект Европейской академии естественных наук). </span></span><br><span><span> Содержание статьи является продолжением теоретического анализа достоверности гипотезы </span></span><br><span><span>, основанной на: -центростремительных ускорениях Луны относительно Земли, спутников планет </span></span><br><span><span>Солнечной системы, Солнца относительно центра Млечного Пути, планет </span></span><br><span><span>Проксимы Центавра, галактики Большое Магелланово Облако относительно </span></span><br><span><span>галактики Млечный Путь, -графической программе Graph.</span></span></p>
They saw it, onu, 它, coming: An information theoretic study of cross-linguistic variation in personal pronouns (Appendix B)
<p>The pronominal systems: data from miniciep+ on pre/post verbal position and alternative vs. standard version (where available)</p>
Hydrostatic models of theoretical planispiral ectocochleate cephalopods
<p>Zipped folder containing virtual models (in .STL format) of theoretical ectocochleate cephalopods (oxycone, serpenticone, sphaerocone, and morphospace center). There are four components of each model used in hydrostatic calculations: 1) shell, 2) chambers (camerae), 3) soft body, and 4) water displaced. Each near-endmember morphotype has two versions: 1) Body chamber lengths allowing neutral buoyancy with <em>Nautilus</em>-like chamber liquid (~12%), and 2) Body chamber lengths of the representative specimens used to build the models (<em>Sphenodiscus </em>for oxycone, <em>Dactylioceras </em>for serpenticone, and <em>Goniatites </em>for sphaerocone).</p>
Data for: Theoretical and practical considerations when using retroelement insertions to estimate species trees in the anomaly zone
<p>A potential shortcoming of concatenation methods for species tree estimation is their failure to account for incomplete lineage sorting. Coalescent methods address this problem but make various assumptions that, if violated, can result in worse performance than concatenation. Given the challenges of analyzing DNA sequences with both concatenation and coalescent methods, retroelement insertions (RIs) have emerged as powerful phylogenomic markers for species tree estimation. Here, we show that two recently proposed quartet-based methods, SDPquartets and ASTRAL_BP, are statistically consistent estimators of the unrooted species tree topology under the coalescent when RIs follow a neutral infinite-sites model of mutation and the expected number of new RIs per generation is constant across the species tree. The accuracy of these (and other) methods for inferring species trees from RIs has yet to be assessed on simulated data sets, where the true species tree topology is known. Therefore, we evaluated eight methods given RIs simulated from four model species trees, all of which have short branches and at least three of which are in the anomaly zone. In our simulation study, ASTRAL_BP and SDPquartets always recovered the correct species tree topology when given a sufficiently large number of RIs, as predicted. A distance-based method (ASTRID_BP) and Dollo parsimony also performed well in recovering the species tree topology. In contrast, unordered, polymorphism, and Camin-Sokal parsimony (as well as an approach based on MDC) typically fail to recover the correct species tree topology in anomaly zone situations with more than four ingroup taxa. Of the methods studied, only ASTRAL_BP automatically estimates internal branch lengths (in coalescent units) and support values (i.e., local posterior probabilities). We examined the accuracy of branch length estimation, finding that estimated lengths were accurate for short branches but upwardly biased otherwise. This led us to derive the maximum likelihood (branch length) estimate for when RIs are given as input instead of binary gene trees; this corrected formula produced accurate estimates of branch lengths in our simulation study, provided that a sufficiently large number of RIs were given as input. Lastly, we evaluated the impact of data quantity on species tree estimation by repeating the above experiments with input sizes varying from 100 to 100,000 parsimony-informative RIs. We found that, when given just 1,000 parsimony-informative RIs as input, ASTRAL_BP successfully reconstructed major clades (i.e clades separated by branches >0.3 CUs) with high support and identified rapid radiations (i.e., shorter connected branches), although not their precise branching order. The local posterior probability was effective for controlling false positive branches in these scenarios.</p>
Supplementary data: Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism
<p>This data repository contains the output files of density-functional theory (DFT) calculations that were used for the paper "Na2.4Al0.4Mn2.6O7 anionic redox cathode material for sodium ion batteries- a combined experimental and theoretical approach to elucidate its charge storage mechanism". </p>
Theoretical and Experimental database for corannulene:water aggregates in a rare gas matrix. Structures and IR spectra.
<p>This database is linked to the article entitled "Water clusters in interaction with corannulene in a rare gas matrix: structures, stability and IR spectra" by Leboucher et al. submitted to "Photochem" on March 1st 2022.</p> <p>Theoretical results can be found in the following directories:<br> - Geoms which contains the DFTB/FF optimized structures reported in Figures 2 to 4 of the manuscript (the last column of the files must not be taken into account)<br> - IR_harm which contains the IR harmonic data for these structures (first column: wavenumbers in cm-1, second column: intensities in km/mol)<br> - Spect_10K which contains the dynamics spectra as reported in Figures 5 to 7</p> <p>Experimental results can be found in the directory Experimental, with spectra in two columns (first column: wavenumber in cm-1, second column: absorbance). Data have been corrected for atmospheric water vapor.</p> <p>In the directory Gas-phase are reported the results of gas-phase calculations at the DFT (M062X/d95v(dip) and DFTB levels performed for benchmark purpose.<br> - in DFT_opt are reported DFT optimized structures, similar to DFTB optimized structures<br> - in IR-spect, harmonic DFT and DFTB spectra<br> - the En_GP.pdf file reports energetic data for these systems.</p> <p> </p>
Reviewed Articles from the study "Running away to sea: a theoretical model of anthropogenic factors contribution for microplastics transportation from rivers to the ocean".
<p>Table containing the papers reviewed from the study "Running away to sea: a theoretical model of anthropogenic factors contribution for microplastics transportation from rivers to the ocean". </p>
Project files provided as supporting information to the manuscript "Information-theoretical measures identify accurate low-resolution representations of protein configurational space"
<p>The dataset contains the following compressed folder:</p> <p>-Notebooks.zip:</p> <p>This folder contains:<br> -python_script:<br> -RESREL.py: script performing the clusterization and computing the relevance resolution curves<br> -random_curves.py: script generating the random value and computing the corresponding RES-REV curves_s<br> -Cluster_distance_matrix.py: script returning the distance among clusters for a given partition.<br> -python_notebook:<br> -Exploratory_analysis.ipynb: Analysis performed on the 12-protein_dataset<br> -DMAPS_ANTI.ipynb: Diffusion Map for the Antibody<br> -DMAPS_COV_1ake.ipynb: Diffusion Map + Inter-Intra state decomposition of covariance for 1ake</p> <p>Packages required for the usage of these python scripts/notebooks:<br> -numpy<br> -pandas<br> -matplotlib<br> -seaborn<br> -multiprocessing<br> -scipy</p> <p> </p> <p>========<br> RAW DATA<br> ========</p> <p>The raw data produced and employed in this study are available on a Google Drive folder at the following address:</p> <p>https://drive.google.com/drive/folders/1PasAUCgpR5-gdzUVEdyusgZIayQN0Le9</p> <p>In this folder, together with the compressed Notebooks.zip folder, one can fin the compressed folder Data.zip, within which the following data are present:</p> <p>-12-protein_dataset:<br> -md.mdp: the .mdp file used in the MD simulations<br> -PROTEIN_PDB_CODE:<br> -Hk_{sel}.npy & Hs_{sel}.npy: the Rel & Res curves, sel=[all, CA, CB]<br> -RMSD_{sel}.npy: the RMSD matrix, sel=[all, CA, CB]<br> -npt.gro:protein+water+ions structure @TEO the equilibration (NVT+NPT)<br> -MSR_df.csv: a dataset containing the following columns<br> 'area' : area behind the Relevance-Resolution curve;<br> 'selection': the atomic selection (['all', 'CA', 'CB']) used to compute the RMSD matrix used for the clusterization (and consequently the Relevance-Resolution curves)<br> 'method': the linkage measure used in the clustering procedure, an integer in [0,6];<br> 'method_name': the linkage measure used in the clustering procedure, a string in ['average','ward','complete','single','centroid','median','weighted'];<br> 'rmsd_mean': the mean value of the rmsd vector along the trajectory computed wrt the first frame;<br> 'rmsd_var': the variance of the rmsd vector along the trajectory computed wrt the first frame;<br> 'rgy_mean': the mean value of the radius of gyration along the trajectory;<br> 'rgy_var': the variance of the radius of gyration along the trajectory;<br> 'rmsf_mean': the mean value of the rmsf;<br> 'rmsf_var': the variance of the rmsf;<br> 'RMSD_M_mean': the mean value of the RMSD matrix.<br> 'RMSD_M_var': the variance of the RMSD matrix.<br> -Random:<br> -curves.npy= 100K Relevance-Resolution Random curves for M=40001<br> -curves_s.npy= 100K Relevance-Resolution Random curves for M=15000<br> -validation_dataset:<br> -antibody:<br> -Hk_CB.npy & Hs_CB.npy: the Rel & Res curves<br> -RMSD_CB.npy: the RMSD matrix<br> -DIFF_{M}.npy: the eigenvalue/vector of the 10-D diffusion space<br> -Label_{method}.npy: the label vector for n_clusters<br> -1ake:<br> -Hk_{sel}.npy & Hs_{sel}.npy: the Rel & Res curves<br> -RMSD_{sel}.npy: the RMSD matrix<br> -DIFF_{M}.npy: the eigenvalue/vector of the 10-D diffusion space<br> -Label_{method}.npy: the label vector for n_clusters<br> -intra_{m}.npy: the intra-cluster covariance matrix<br> -inter_cov_{m}.npy: the inter-cluster correlation matrix</p> <p> </p> <p>NOTE<br> =====</p> <p>The matrices of the cluster distances for adenylate kinase and antibody have been computed through the script Cluster_distance_matrix.py.</p> <p>These matrices have not been included in the dataset because of their large size; the raw data are however available upon request.<br> </p>
A new theoretical performance landscape for suction feeding reveals adaptive kinematics in a natural population of reef damselfish
<p><span>Understanding how organismal traits determine performance and</span><span>, </span><span>ultimately</span><span>, </span><span>fitness is a fundamental goal of evolutionary ecomorphology. However, multiple traits can interact in non-linear and context-dependent ways to affect performance, hindering efforts to place natural populations with respect to performance peaks or valleys. Here, we used an established mechanistic model of suction-feeding performance (SIFF) derived from hydrodynamic principles to estimate a theoretical performance landscape for zooplankton prey capture. This performance space can be used to predict prey capture performance for any combination of six morphological and kinematic trait values. We then mapped in situ high-speed video observations of suction feeding in a natural population of a coral reef zooplanktivore, Chromis viridis, onto the performance space to estimate the population's location with respect to the topography of the performance landscape. Although the kinematics of the natural population closely matched regions of high performance in the landscape, the population was not located on a performance peak. Individuals were furthest from performance peaks on the peak gape, ram speed and mouth opening speed trait axes. Moreover, we found that the trait combination</span><span>s </span><span>in the observed population were associated with higher performance than expected by chance, suggesting that these combinations are under selection. Our results provide a framework for assessing whether natural populations occupy performance optima.</span></p>
Cloud computing is one of the most popular and sophisticated technologies adopted by organizations worldwide. Some world-leading organizations enhance their efficiency and effectiveness by using cloud computing technology. Working from home (WFH) has been a popular trend among organizations during the coronavirus (COVID-19) pandemic. The COVID-19 saw a breakthrough in work cultures and environments where working from home was a remarkable success in remote working environments, despite being a rare phenomenon in Sri Lanka. Yet, it is argued that the deployment of work from home has not been effective among Sri Lankan business organizations due to a lack of IT infrastructure, facilities, and knowledge. The purpose of the study is to investigate the impact of cloud computing, embracing the service models (Infrastructure as a Service, Platform as a Service, and Software as a Service) as theoretical lenses and testing the COVID-19 as the moderator. The study has been conducted based on a deductive approach and adopted a stratified random sampling method. The sample consisted of 384 IT employees among those who had experienced working from home. The study utilized multiple regression and found that cloud computing service models significantly impact work from home with the moderating effect of COVID-19.
<p>Cloud computing is one of the most popular and sophisticated technologies adopted by organizations worldwide. Some world-leading organizations enhance their efficiency and effectiveness by using cloud computing technology. Working from home (WFH) has been a popular trend among organizations during the coronavirus (COVID-19) pandemic. The COVID-19 saw a breakthrough in work cultures and environments where working from home was a remarkable success in remote working environments, despite being a rare phenomenon in Sri Lanka. Yet, it is argued that the deployment of work from home has not been effective among Sri Lankan business organizations due to a lack of IT infrastructure, facilities, and knowledge. The purpose of the study is to investigate the impact of cloud computing, embracing the service models (Infrastructure as a Service, Platform as a Service, and Software as a Service) as theoretical lenses and testing the COVID-19 as the moderator. The study has been conducted based on a deductive approach and adopted a stratified random sampling method. The sample consisted of 384 IT employees among those who had experienced working from home. The study utilized multiple regression and found that cloud computing service models significantly impact work from home with the moderating effect of COVID-19.</p>
Text Mining as a Support Tool for Research on Climate Change: Theoretical and Technical Considerations
<p>839 companies listed on the Australian Stock Exchange were surveyed for climate risk disclosures, with 201 such disclosures identified.</p>
Data from: A theoretical model for host-controlled regulation of symbiont density
<p>There is growing empirical evidence that hosts (such as insects and corals) actively control the density of their mutualistic symbionts according to their requirements. Such active regulation can be facilitated by compartmentalisation of symbionts within host tissues, which confers a high degree of control of the symbiosis to the host. Here, we build a general theoretical framework to predict the underlying ecological drivers and evolutionary consequences of host-controlled endosymbiont density regulation for a mutualistic association between a host and a compartmentalised, vertically transmitted symbiont. Building on the assumption that the costs and benefits of hosting a symbiont population increase with symbiont density, we use state-dependent dynamic programming to determine an optimal strategy for the host, i.e., that which maximises host fitness, when regulating the density of symbionts. Simulations of active host-controlled regulation governed by the optimal strategy predict that the density of the symbiont should converge to a constant level during host development, and following perturbation. However, a similar trend also emerges from alternative strategies of symbiont regulation. The strategy which maximises host fitness also promotes symbiont fitness compared to alternative strategies, suggesting that active host-controlled regulation of symbiont density could be adaptive for the symbiont as well as the host. Adaptation of the framework allowed the dynamics of symbiont density to be predicted for other host-symbiont ecologies, such as for non-essential symbionts, demonstrating the versatility of this modelling approach.</p>
Data and code for theoretical analyses for the evolution of biogenic volatile organic compounds (BVOCs) emission strategy
<p>These are Python code for analysis and JSON data obtained by simulation with the lattice model.</p> <p>To visualize figures better, we have slightly modified the content of "LatticeModelVisualization.ipynb".</p>
Experimental data and benchmarks used in the paper "Theoretical Foundations for Structural Symmetries of Lifted PDDL Tasks"
<p>This dataset contains both benchmarks and data used in the paper.</p> <p>PDDL benchmark files can be found in the files benchmarks.tar.gz and<br> bagged-benchmarks.tar.gz. The former contains all domains from all IPCs from the<br> repository https://bitbucket.org/aibasel/downward-benchmarks, without duplicate<br> domains that have been used in multiple IPCs. The latter contains the subset of<br> these tasks for which the reformulation in the "bagged representation" from the<br> following paper succeeded:</p> <p>Riddle, P.; Douglas, J.; Barley, M.; and Franco, S. 2016. Improving<br> performance by reformulating PDDL into a bagged representation.<br> In ICAPS 2016 Workshop on Heuristics and Search for Domain-<br> independent Planning, 28–36.</p> <p>We obtained the implementation of the baggy reformluation from the authors.</p> <p>All other files in this dataset contain raw and processed data of all<br> experiments, which were generated using Downward-Lab (see<br> https://doi.org/10.5281/zenodo.399255). The scripts used to run the experiments<br> can be found in the software bundle for this paper (see<br> https://doi.org/10.5281/zenodo.2621897).</p> <p>Directories without the "-eval" ending contain raw data, distributed over a<br> subdirectory for each experiment. Each of these contain a subdirectory tree<br> structure "runs-*" where each planner run has its own directory. For each run,<br> there are symbolic links to the input PDDL files domain.pddl and problem.pddl<br> (can be resolved by putting the benchmarks directory to the right place), the<br> run log file "run.log" (stdout), possibly also a run error file "run.err"<br> (stderr), the run script "run" used to start the experiment, and a "properties"<br> file that contains data parsed from the log file(s). Some directories (not for<br> the ground experiments, where these files got too large) also contain a file<br> generators.py that contain all symmetry group generators in permutation<br> notation.</p> <p>Directories with the "-eval" ending contain a "properties" file, which contains<br> a JSON directory with combined data of all runs of the corresponding<br> experiment. In essence, the properties file is the union over all properties<br> files generated for each individual planner run.</p>
Data to "Phenylphosphonic Acid on Rutile TiO2(110): Using Theoretically Predicted O 1s Spectra to Identify the Adsorption Binding Modes"
<p>Primary data, meta data, and corresponding lists of figures and tables are included. Version 2 includes the complete DFT data.</p>
Source code of tables for the publication "K- and L-shell theoretical fluorescence yields for the Fe isonuclear sequence"
<p>In this work, we present K- and L- shell fluorescence yield values of the full isonuclear sequence of Fe ions, using a state-of-the-art multiconfiguration Dirac-Fock approach. These results may be of importance for spectral fitting and plasma modeling, both in laboratory and astrophysical studies, where Fe is an important benchmark element. The K-shell fluorescence yields were found to be very similar up to the removal of 14 electrons.</p>
Theoretical calculations for 10.1126/sciadv.adl4481
<p>This dataset contains the data for the density fuctional theory calculations in the paper 10.1126/sciadv.adl4481</p> <p>This includes: input files for quantum espresso, input files for bands up, plot scripts. All details required to reproduce the calculations are also detailed in the paper. </p>
Experimental and theoretical data generated on optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size
<p>Open access to experimental data generated by the project <a href="https://www.electro-intrusion.eu/en">Electro-Intrusion</a> (101017858, Horizon 2020, European Union) along with the research on the mechanical behaviour of hydrophobic porous materials to be used in intrusion-extrusion applications. Research pertaining to Task 2.1 (WP2).</p> <p>Underlying data for the publication Johnson, L. J. W. et al. Optimization of the wetting-drying characteristics of hydrophobic metal organic frameworks via crystallite size: The role of hydrogen bonding between intruded and bulk liquid. Journal of Colloids and Interface Science 2023, 645, 775-783. <a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.jcis.2023.04.059" target="_blank" rel="noreferrer noopener"><span><span>https://doi.org/10.1016/j.jcis.2023.04.059</span></span></a>. Data related to Figures 2, 4, 5 and S1 in the article.</p>
Experimental and theoretical data generated to study effect of crystallite size on the flexibility and negative compressibility of ZIF-8
<p><span>Open access to experimental data generated by the project </span><a href="https://www.electro-intrusion.eu/en"><span>Electro-Intrusion</span></a><span> (101017858, Horizon 2020, European Union) along with the research on the thermal behaviour of hydrophobic porous materials to be used in intrusion-extrusion applications. Research pertaining to Task 2.1 (WP2).</span></p> <p><span>Underlying data for the publication Johnson, L. J. W. et al. Effect of Crystallite Size on the Flexibility and Negative Compressibility of Hydrophobic Metal–Organic Frameworks. Nano Letters 2023, 23, 10682-10686. <a title="DOI URL" href="https://doi.org/10.1021/acs.nanolett.3c02431">https://doi.org/10.1021/acs.nanolett.3c02431</a> Data related to Figures 1, 2, and 3 in the article.</span></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.