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35 results for “ion transport”
Dataset for publication: "Magnesium and Aluminum in Contact with Liquid Battery Electrolytes: Ion Transport through Interphases and in the Bulk"
<div> </div> <div> <p>This is the experimental raw data set associated with the following publication: M. Löw, J. Grill, MM May, and J. Popovic-Neuber, Magnesium and Aluminium in Contact with Liquid Battery Electrolyte: Ion Transport through Interphases and in the Bulk, ACS Material Letters (2024). DOI:10.1021/acsmaterialslett.4c01589</p> <p>The data set is organized according to the publication's figures. </p> </div>
Describing ion transport and water splitting in an electrodialysis stack with bipolar membranes by a 2-D model: Experimental validation
<p>Electrodialysis with bipolar membranes (EDBM) has drawn attention motivated by their application in gener- ating reagents from salts. Due to the water splitting (WS) occurring at the junction of the bipolar membranes (BPMs), where the anion and cation layers are in strict contact, H+ and OH- are released from the BPM producing acid and alkali on the respective compartment. Considering this application, the interest of this work is to provide further understanding of the mechanisms of WS and transport of species in EDBM. This work develops and utilizes, for the first time, an experimentally validated two-dimensional (2-D) computational model, in which the Navier-Stokes and Nernst-Planck equations are coupled with the description of WS given by the Second Wien effect. In addition, a 1-D geometry is also proposed to perform a comparison between electroneutrality and Poisson charge conservation. The model is computationally solved using COMSOL Multiphysics. According to simulations, electroneutrality is valid for 2-D geometries. Moreover, the semipermeable characteristics of the membranes are assessed by means of evidencing a polarization effect resulting in a double-electric layer. The model proposed predicts a significant proton leakage, and facilitates the study of WS within the BPMs.</p>
Simulation of Cold Ion Transport Originating from the SED Plume into Dayside Magnetosphere
<p>Data output from DyFK simulations for ''Simulation of Cold Ion Transport Originating from the SED Plume into Dayside Magnetosphere''. Data descriptions are listed in "dataDescription.docx". </p>
Data for: In situ generation of (sub) nanometer pores in MoS2 membranes for ion-selective transport
<p>Source data for Fig 1-3 includes data for ion transport measurements and pore size distributions.</p> <p>Source data for Fig. 4 includes trajectory data for molecular dynamics simulations, exclusively for ions within MoS2 nanopores, as well as full trajectory data for the calculation of water-diffusion in 1 nm, 2 nm pores and the bulk reservoir (without an applied electric field). </p>
Lithium Ion Battery Test Dataset for Maritime Transport INR18650-MJ1
<p>INR18650-MJ1 test data obtained from cycling under conditions relevant for maritime transport applications.</p>
Simulations for: The Energetics and Ion Coupling of Cholesterol Transport Through Patched1
<p><strong>Free energy profiles:</strong></p> <p>Coarse-grained (CG) potential of mean force (PMF) free energy and histogram outputs, obtained via the gromacs weighted-histogram analysis method (WHAM). PMF profile numbers match those described in the accompanying manuscript for cholesterol movement between the:</p> <p>- PTCH1-molA ECD base and the sterol binding domain (SBD) (PMF_1a_PTCH1_molA-SHH_cholesterol)</p> <p>- PTCH1-molB ECD base and the SBD (PMF_1a_PTCH1_molB-free_cholesterol) </p> <p>- PTCH1-molA ECD base and the sterol sensing domain (SSD) (PMF_1b_PTCH1_molA-SHH_cholesterol)</p> <p>- PTCH1-molA SSD and the membrane (PMF_2_PTCH1_molA-SSD_cholesterol_OHup)</p> <p>- PTCH1-molB SSD and the membrane (PMF_2_PTCH1_molB-SSD_cholesterol_OHup)</p> <p>- PTCH1-molB SSD and the membrane in a flipped conformation (PMF_2_PTCH1_molB-SSD_cholesterol_OHdown)</p> <p>- Membrane and solvent (PMF_3_Membrane_cholesterol)</p> <p>- PTCH1-molA SBD and the solvent (PMF_4_PTCH1_molA-SSH_cholesterol)</p> <p>- PTCH1-molB SBD and the solvent (PMF_4_PTCH1_molB-free_cholesterol)</p> <p>2000 rounds of Bayesian Bootstrapping were performed.</p> <p><strong>File description for each system:</strong></p> <p>- histo.xvg: umbrella window histograms</p> <p>- bsres.xvg: Average free energy profile and computed bootstrapping error. </p> <p> </p> <p><strong>Atomistic simulations:</strong></p> <p>Subset of atomistic molecular dynamics simulations of wild-type (WT) Patched1 (PTCH1) and Dispatched1 (DISP1) in distinct ion-bound states:</p> <p>- PTCH1 with Na+ bound at Site 1 initially (PTCH1_WT_Na_Site1)</p> <p>- PTCH1 apo in 0.15 M NaCl (PTCH1_WT_apo_inNaCl)</p> <p>- PTCH1 apo in 0.15 M KCl (PTCH1_WT_apo_inKCl)</p> <p>- PTCH1 with 3 x Na+ ions bound to anionic triad residues (PTCH1_WT_3xNa)</p> <p>- PTCH1 with 3 x K+ ions bound to anionic triad residues (PTCH1_WT_3xK)</p> <p>- DISP1 apo in 0.15 M NaCl (DISP1_WT_apo)</p> <p>- DISP1 with 3 x Na+ ions bound to anionic triad residues (DISP1_WT_3xNa)</p> <p>- DISP1 with 2 x Na+ ions bound, generated by sequential ion removal from the end of DISP1_WT_3xNa simulations (DISP1_WT_2xNa)</p> <p>- DISP1 with 1 x Na+ ion bound, generated by sequential ion removal from the end of DISP1_WT_2xNa simulations (DISP1_WT_1xNa)</p> <p>- DISP1 without Na+ bound, generated by sequential ion removal from the end of DISP1_WT_1xNa simulations (DISP1_WT_0xNa)</p> <p>All simulations were run for 3 x 100 ns except for PTCH1_WT_apo_inNaCl which was run for 3 x 50 ns. The PTCH1 and DISP1 conformations were obtained from the Protein Data Bank (PDB IDs: 6DMY, 7RPH). </p> <p><strong>File description for each system:</strong></p> <p>- md_fit_firstframe.pdb : Initial frame used for atomistic simulations (replicate 1, each replicate equilibrated independently). </p> <p>- md_fit_<em>X</em>.xtc : Gromacs trajectory file for each replicate (X=replicate number). </p>
Effects of Sildenafil on CFTR-dependent Ion Transport Activity
ClinicalTrials.gov study NCT01132482. IPD Sharing: Not stated. Countries: 1. Publications: 6.
Improved Mechanical Strength without Sacrificing Li-Ion Transport in Polymer Electrolytes
Open the record for dataset details and reuse information.
Global mixing and transport of solar wind and magnetospheric ions in the nonlinear Kelvin-Helmholtz region across the terrestrial dayside magnetopause
<p>Data of figs 1-6 of the manuscript "Global mixing and transport of solar wind and magnetospheric ions in the nonlinear Kelvin-Helmholtz region across the terrestrial dayside magnetopause".</p>
First Lidar Profiling of Meteoric Ca+ Ion Transport from ~80 to 300 km in the Midlatitude Nighttime Ionosphere
<p>The attached data is used for the paper.</p>
Transport and distribution of sodium ions in Mercury's magnetosphere: results from multi-fluid MHD simulations
<p>This dataset contains VTK files of the four simulations that are presented in the paper<em> </em><a href="https://essopenarchive.org/doi/full/10.22541/essoar.171629607.76912814/v1">Transport and distribution of sodium ions in Mercury’s magnetosphere: results from multi-fluid MHD simulations</a> .</p> <p>The physical parameters for each of the simulations are summarized below:</p> <div> <div>Sim-1: IMF = [0,0,-8.5] nT, V_sw = [-400,0,0] km/s</div> <div>Sim-2: IMF = [0,0,-8.5] nT, V_sw = [-400,0,0] km/s</div> <div>Sim-3: IMF = [0,0,-8.5] nT, V_sw = [-400,0,0] km/s</div> <div>Sim-4: IMF = [-15.2,8.4,-8.5] nT, V_sw = [-400,50,0] km/s</div> <div> <div> </div> <div>The Hall term is switched off in sim-2, but switched on in the rest of the simulations. The sodium source is used in all the simulations except for sim-3. In all the simulations, the solar wind density is 40 amu/cc with a temperature of 7.5 eV. We refer the readers to the aforementioned paper for more details.</div> </div> </div> <p>These VTK files can be opened with Paraview.</p>
Fast Ion Transport in the Quasi-Single Helical Reversed-Field Pinch Raw Figure Data
<p>The raw figure data is in a .xls or .xslx file. Each figure or sub-figure is denoted by sheet title in the .xls file. For 2D data plots, the data for the x-array, y-array, x-error, and y-error are provided. For 3D data plots, the data for x-array, y-array, and z-array are provided. Each dataset within a figure or sub-figure is appropriately labeled with an identifier as the column header.</p>
DFT-based Phonon-computations for "Considering the Role of Ion Transport in Diffuson-Dominated Thermal Conductivity"
<p>These are the harmonic phonon and Grüneisen parameter computations for the publication "Considering the Role of Ion Transport in DiffusonDominated Thermal Conductivity". VASP and Phonopy outputs are included in this data set.</p>
Supporting data for "Fundamental Investigations on the Ionic Transport and Thermodynamic Properties of Non-aqueous Potassium-Ion Electrolytes"
<p>This is the dataset of the electrochemical, densitometry and XPS data for our publication "Fundamental Investigations on the Ionic Transport and Thermodynamic Properties of Non-aqueous Potassium-Ion Electrolytes". This archive contains the raw data and python scripts used in the analysis and modelling for the presentation of the results in this manuscript.</p> <p>Abstract of manuscript:</p> <p>Non-aqueous potassium-ion batteries (KIBs) represent a promising complementary technology to lithium-ion batteries due to the availability and low cost of potassium. Moreover, the lower charge density of K<sup>+</sup> compared to Li<sup>+</sup> favour the ion-transport properties in the liquid electrolyte solutions, thus, making KIBs potentially capable of improved rate capability and low-temperature performance. However, a comprehensive study of the ionic transport and thermodynamic properties of non-aqueous K-ion electrolyte solutions is not available. Here we report the full characterisation of the ionic transport and thermodynamic properties of a model non-aqueous K-ion electrolyte solution system comprising potassium bis(fluorosulfonyl)imide (KFSI) salt and 1,2-dimethoxyethane (DME) solvent and compare it with its Li-ion equivalent (i.e., LiFSI:DME), over the concentration range 0.25–2 molal. Using tailored K metal electrodes, we demonstrate that KFSI:DME electrolyte solutions show higher salt diffusion coefficients and cation transference numbers than LiFSI:DME solutions. Finally, via Doyle-Fuller-Newman (DFN) simulations, we investigate the K-ion and Li-ion storage properties for K||graphite and Li||graphite cells.</p>
Capacity for freshwater acclimation and differences in the transcription of ion transporter genes underlying different migratory life histories of Takifugu fish
<p>The genus<i> Takifugu </i>is a group of approximately 20 species of puffer fishes living in a wide range of salinity environments around East Asian countries. This group presents a broad spectrum of evolutionary stages adapted to anadromy as a result of speciation that occurred a short time (2–5 million years) ago on an evolutionary timescale. This group thus can be considered as a model for studying the evolutionary mechanisms of anadromy. We firstly conducted a transfer experiment from seawater to low-salinity waters on five <i>Takifugu</i> species: two anadromous species <i>T. obscurus</i> and <i>T. ocellatus</i>, two euryhaline wanderer marine species <i>T. rubripes</i> and <i>T. niphobles</i>, and a strictly marine species <i>T. snyderi</i>,<i> </i>and confirmed that the capacity for acclimation to hypotonic environments was associated with their life history strategies. Next, transcriptomes of the gill and intestine of these species in hypotonic condition were compared to those under hypertonic condition for each species using RNA-Sequencing so as to determine possible candidate transporters playing an important role on freshwater adaptation. As this analysis suggested that <i>cftr</i>, encoding an important ion transporter for seawater acclimation in the gill, and <i>ncc</i>, encoding a transporter that is suggested to play important osmoregulatory roles in the intestine, are important candidates, their expression was validated by quantitative real-time PCR analysis. Expression of<i> cftr</i> was downregulated in the gills of the four euryhaline species under the hypotonic condition, but no change was detected in the gill of stenohaline <i>T. snyderi</i>, which may be one reason for the poor hypotonic acclimation capacity of <i>T. snyderi</i>. Expression of <i>ncc</i> was clearly upregulated in the intestines of the two anadromous species under the hypotonic condition, but not in other three species.<b> </b>Different ion transporter expression patterns between the five species indicate that the transcriptional regulation of <i>cftr</i> in the gill and <i>ncc</i> in the intestine may be important for the improvement of hypotonic acclimation capacity and evolution of anadromy in the <i>Takifugu</i> species.</p>
Data from: Screening of candidate substrates and coupling ions of transporters by thermostability shift assays
Substrates of most transport proteins have not been identified, limiting our understanding of their role in physiology and disease. Traditional identification methods use transport assays with radioactive compounds, but they are technically challenging and many compounds are unavailable in radioactive form or are prohibitively expensive, precluding large-scale trials. Here, we present a high-throughput screening method that can identify candidate substrates from libraries of unlabeled compounds. The assay is based on the principle that transport proteins recognize substrates through specific interactions, which lead to enhanced stabilization of the transporter population in thermostability shift assays. Representatives of three different transporter (super)families were tested, which differ in structure as well as transport and ion coupling mechanisms. In each case, the substrates were identified correctly from a large set of chemically related compounds, including stereo-isoforms. In some cases, stabilization by substrate binding was enhanced further by ions, providing testable hypotheses on energy coupling mechanisms.
Pnictogen-Bonding Catalysis Compared to Ion Transport in Lipid Bilayer Membranes: Original Data
<p>Original data underlying the publication. Data are arranged according to the supporting information. </p>
Data from: Screening of candidate substrates and coupling ions of transporters by thermostability shift assays
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Capacity for freshwater acclimation and differences in the transcription of ion transporter genes underlying different migratory life histories of Takifugu fish
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FoxA1 regulates sweat secretion through Best2 and Nkcc1 ion transporters
GEO Series GSE32347. Mus musculus. 18 samples. Type: Expression profiling by array.
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Allen Brain Atlas
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International Brain Laboratory public data
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OpenNeuro
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