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121 results for “h2o”
Volumetric properties of dilute (d-glucose + H2O) solutions at temperatures from (293.15 to 433.15) K and pressures from (0.10 to 50.00) MPa
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DMSO-TMP-ACN-H2O Co-solvent Bayesian Optimization with Reproducibility and Gas Analysis via OEMS Data
<p>The zipped files contain the data collected and used for the Bayesian optimization (BO) of Coulombic efficiency (and discharge capacity) from the exploration of 4 co-solvents (dimethyl sulfoxide, trimethyl phosphate, acetonitrile, and water) and 2 salts (lithium perchlorate and LiTFSI).</p> <p>The cycling data and the BO clients are contained in BayesianOptimization.zip.</p> <p>The gas analysis data via online electrochemical mass spectrometry (OEMS) are contained in OEMS_data.zip.</p> <p>The cycling data of select repeats from the BO are contained in Reproducibility_data.zip.</p> <p>These are the raw datafiles. Preprocessing and analysis is not included.</p>
1. A natural fusion between a flavodiiron protein, rubredoxin and NADH:rubredoxin oxidoreductase is responsible for the H2O-forming oxidase activity in Trichomonas vaginalis
<p>Homology models fit to a 6.8Å cryo-EM map of <em>T. vaginalis</em> FDPF3.</p>
Data set: Infrared spectra of HCN and HCN:H2O from 40-140 K
<p>IR spectra of pure HCN and mixed H2O:HCN (~15:1) ice in temperature intervals of 10K from 40-140 K.</p> <p>Spectra are saved as individual files, where the first column is wavenumber (cm^-1) and the second column is IR absorbance. No baseline subtraction has been performed.</p>
Data underlying the publication: Callisto's atmosphere: First evidence for H2 and constraints on H2O
<p>We explore the parameter space for the contribution to Callisto's H corona observed by the Hubble Space Telescope (Roth et al. 2017a) from sublimated H<sub>2</sub>O and radiolytically produced H<sub>2</sub> using the Direct Simulation Monte Carlo (DSMC) method. The spatial morphology of this corona produced via photo- and magnetospheric electron impact-induced dissociation is described by tracking the motion of and simulating collisions between the hot H atoms and thermal molecules including a near-surface O<sub>2</sub> component. Our results indicate that sublimated H<sub>2</sub>O produced from the surface ice, whether assumed to be intimately mixed with or distinctly segregated from the dark non-ice or ice-poor regolith, cannot explain the observed structure of the H corona. On the other hand, a global H<sub>2</sub> component can reproduce the observation, and is also consistent with enhanced electron densities observed at high altitudes by <em>Galileo</em>'s plasma-wave instrument (Gurnett et al. 1997, 2000), providing the first evidence of H<sub>2</sub> in Callisto's atmosphere. The range of H<sub>2</sub> surface densities explored, under a variety of conditions, that are consistent with these observations is ∼(0.4-1)×10<sup>8</sup> cm<sup>-3</sup>. The simulated H<sub>2</sub> escape rates and estimated lifetimes suggest that Callisto has a neutral H<sub>2</sub> torus. We also place a rough upper limit on the peak H<sub>2</sub>O number density (<∼10<sup>8</sup> cm<sup>-3</sup>), column density (<∼10<sup>15</sup> cm<sup>-2</sup>), and sublimation flux (<∼10<sup>12</sup> cm<sup>-2</sup> s<sup>-1</sup>), all of which are 1-2 orders of magnitude less than that assumed in previous models. Finally, we discuss the implications of these results, as well as how they compare to Europa and Ganymede.</p>
H2O Ice and CO2 Ice Mixed Lobes at the Edge of Martian South Polar Cap
<p>Relative permittivity estimation of lobes at the edge of Martian south polar cap.</p> <p>The data will be open to access when our article is accepted.</p>
Experimental microwave spectroscopic and quantum-chemical investigation of the HCl(H2O)n (n=1-5,7) molecular clusters
<p>In this dataset, experimental microwave rotational spectroscopy data and corresponding theoretical calculations for the HCl(H2O)n (n=1-5,7) clusters are stored. </p>
Dataset for "Stability of H2O-rich fluid in the deep mantle indicated by the MgO-SiO2-H2O phase relations at 23 GPa and 2000 K" by H. Fei
<p>This dataset provides the EPMA and XRD data for "Stability of H2O-rich fluid in the deep mantle indicated by the MgO-SiO2-H2O phase relations at 23 GPa and 2000 K" by H. Fei.</p>
Dataset: Infrared Spectroscopy and Quadrupole Mass Spectrometry during Temperature Programmed Desorption of Mixed Hyper-volatile (CO, N2, Ar) and Amorphous Ices (H2O, CO2)
<p>IR spectra of H2O:CO and CO2:CO ices mixed at 2 concentrations (5:1 and 15:1) and grown to 7 thicknesses (50 to 3000 ML). Spectra are also included for a smaller set of H2O:N2, H2O:Ar, CO2:N2, and CO2:Ar ices. </p> <p>The files are .txt files, where the first column is wavenumber (cm-1) and the second is IR absorbance.</p> <p>QMS data taken during TPD of H2O:CO and CO2:CO ices mixed at 2 concentrations (5:1 and 15:1) and grown to 7 thicknesses (50 to 3000 ML). Data are also included for a smaller set of H2O:N2, H2O:Ar, CO2:N2, and CO2:Ar ices.</p> <p>Constructing TPD curves require 2 files for each ice, a .asc file and a .xls file. The .asc files contain the relative time (s) and ion count for many relevant m/z. The .xls files contain time (s) and temperature (K). Time from each file can be interpolated to produce ion count as a function of temperature.</p>
HDNNP training data set for H2O
<p>High-dimensional neural network potential (HDNNP) training data set for water. Unpack archive and see README.pdf for details.</p>
Stability and Water Solubility of Calcium Ferrite-type Phase in MgAl2O4-H2O Systems
<p>Here are the experimental data.</p>
Speciation data for "Genesis of a CO2-rich and H2O-depleted atmosphere from the Earth's early global magma ocean"
<p>Here we present the speciation statistics for volatile-bearing pyrolite melts. For computational details and nomenclature, please refer to the manuscript, "Genesis of a CO2-rich and H2O-depleted atmosphere from the Earth’s early global magma ocean" by N.V. Solomatova and R. Caracas.</p> <p>The data is organized by composition and temperature.</p> <p>File names contain the lattice parameter (e.g., a16.0) in Angstroms, indicating that the cell is 16x16x16 Angstroms in size, for example. The corresponding volumes and densities are tabulated in each folder (e.g., "4CO_4000K_densities.dat"). </p> <p>The first column of each *stat.dat file contains the species type. Long species (e.g., Na_1Ca_2Fe_4Mg_30Al_3Si_24O_93C_4) typically represent the silicate melt and short species (e.g., O_1C_1 and O_2C_1) represent the vapor phase. Underscores represent subscripts (e.g., O_2C_1 denotes a CO2 molecule). The second column is the lifetime of the species in femtoseconds. The third column is the percent of the total. The fourth column is the number of elements in each species (e.g., O_1C_1 has 2 elements and O_2C_1 has 3 elements). Note that the majority of the "H_1" species represent free protons within the melt phase.</p>
Numerical simulations reproduce field observations showing transient weakening during shear zone formation by diffusional hydrogen influx and H2O inflow
<p>Abstract of the corresponding paper:</p> <p>Exposures on Holsnøy island (Bergen Arcs, Norway) indicate fluid infiltration through fractures into a dry, metastable granulite, which triggered a kinetically delayed eclogitization, a transient weakening during fluid-rock interaction, and formation of shear zones that widened during shearing. It remains unclear whether the effects of grain boundary-assisted aqueous fluid inflow on the duration of granulite hydration were influenced by a diffusional hydrogen influx accompanying the fluid inflow. To better estimate the fluid infiltration efficiencies and the parameter interdependencies, a 1D numerical model of a viscous shear zone is utilized and validated using measured mineral phase abundance distributions and H<sub>2</sub>O-contents in nominally anhydrous minerals (NAMs) of the original granulite assemblage to constrain the hydration by aqueous fluid inflow and diffusional hydrogen influx, respectively. Both hydrations are described with a diffusion equation and affect the effective viscosity. Shear zone kinematics are constrained by the observed shear strain and thickness. The model fits the phase abundance and H<sub>2</sub>O-content profiles if the effective hydrogen diffusivity is approximately one order of magnitude higher than the diffusivity for aqueous fluid inflow. The observed shear zone thickness is reproduced if the viscosity ratio between dry granulite and deforming, re-equilibrating eclogite is ~10<sup>4</sup> and that between dry granulite and hydrated granulite is ~10<sup>2</sup>. The results suggest shear velocities <10<sup>-2</sup> cm/a, hydrogen diffusivities of ~10<sup>-13±1</sup> m<sup>2</sup>/s, and a shearing duration of <10 years. This study successfully links and validates field data to a shear zone model and highlights the importance of hydrogen diffusion for shear zone widening and eclogitization.</p> <p> </p> <p>The files uploaded here represents the numerical codes and dataset utilized to produce the results presented in the associated paper.<br> Find a description of the single code files ([<em>name</em>].m) in the ST1.doxc file.</p>
Figures and Data Set of "The Effelsberg survey of FU Orionis and EX Lupi objects II. - H2O maser observations"
<p>This is the full version of the fits files for each source with H2O maser detection for the paper "The Effelsberg survey of FU Orionis and EX Lupi objects II. - H2O maser observations”.<br>We also provide the figures from the paper. </p> <p>The paper is published in Astronomy & Astrophysics, and can be found at: https://doi.org/10.1051/0004-6361/202245032</p> <p>The fits files are given for each source and for each observing date. For the data behind Figure 4, we also provide the multiplied data for V512 Per. The units are in Jy in all cases.</p> <p> </p>
Vertical profiles of aerosol, NO2, H2O and HONO in Hefei and its surrounding agricultural fields
<p>Average aerosol vertical profiles exhibited a Gaussian shape above 100 m with maximum values of 0.67 km<sup>-1</sup> and 0.55 km<sup>-1</sup> at 300-400 m layer at AHU and CF, respectively. The distinct layered structure mainly attributed to regional transport. Average H<sub>2</sub>O and NO<sub>2</sub> vertical profiles all showed a Gaussian shape and an exponential shape at AHU and CF, respectively. Moreover, the diurnal evolution of H<sub>2</sub>O profiles performed one peak and bi-peak patterns at AHU and CF, respectively, whereas NO<sub>2</sub> at two stations all exhibited bi-peak patterns attributed to vehicle emissions. Average HONO vertical profiles showed an exponential shape and a Gaussian shape at AHU and CF, respectively. Higher HONO (> 0.05 ppb) above 1.0 km at 14:00-16:00 was observed at CF.</p>
The Association Between Catheter-based Coronary Flow and Resistance and 15O-H2O Positron Emission Tomography Scan
ClinicalTrials.gov study NCT04973410. IPD Sharing: NO. Countries: 1. Publications: 13.
The Hydration to Optimize Metabolism (H2O Metabolism) Pilot Study
ClinicalTrials.gov study NCT03574688. IPD Sharing: NO. Countries: 1. Publications: 2.
Data underlying the publication: Callisto's atmosphere: First evidence for H2 and constraints on H2O
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Data from: Experimental measurements of water molecule binding energies for the second and third solvation shells of [Ca(H2O)n]2+ complexes
Further understanding of the biological role of the Ca2+ ion in an aqueous environment requires quantitative measurements of both the short- and long-range interactions experienced by the ion in an aqueous medium. Here, we present experimental measurements of binding energies for water molecules occupying the second and, quite possibly, the third solvation shell surrounding a central Ca2+ ion in [Ca(H2O)n]2+ complexes. Results for these large, previously inaccessible, complexes have come from the application of finite heat bath theory to kinetic energy measurements following unimolecular decay. Even at n = 20, the results show water molecules to be more strongly bound to Ca2+ than would be expected just from the presence of an extended network of hydrogen bonds. For n > 10, there is very good agreement between the experimental binding energies and recently published density functional theory calculations. Comparisons are made with similar data recorded for [Ca(NH3)n]2+ and [Ca(CH3OH)n]2+ complexes.
Raw Raman Vibrational Spectra from Hydrothermal Diamond Anvil Cell Experiments Involving Silicate Melt - Fluid Equilibria for the H2-H2O-silicate system
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