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35 results for “Isotherm”
Zero-degree isotherm latitude (ZIL) position over Antarctica: Historical and Projections
<p>This is the dataset associated to the research 'Southward migration of the zero-degree isotherm latitude over the Southern Ocean and the Antarctic Peninsula: extent and implications' published in <i>Science of the Total Environment</i>.</p><p>This repository contains:</p><ul><li><strong>ZIL_ERA5_1957-2020_position.zip:</strong> Historical position of the ZIL for every longitude point in ERA5 from 1957 to 2020 for different <i>seasons</i>. Files named:<ul><li>ZIL_ERA5_1957-2020<i>[season]</i>position.csv<ul><li>Dimensions: [lons, years]</li><li>Units: degrees latitude</li></ul></li></ul></li><li><strong>ZIL_ERA5_1957-2020_timeseries.csv:</strong> Historical spatially averaged position of the ZIL for Antartica (Ant) and the Antarctic Peninsula (AP) in ERA5 from 1957 to 2020 for different <i>seasons</i>. File named:<ul><li>ZIL_ERA5_1957-2020_timeseries.csv<ul><li>Dimensions: [years, season_area]</li><li>Units: degrees latitude</li></ul></li></ul></li><li><strong>ZIL_ERA5_1957-2020_meanposition.csv:</strong> Historical temporally averaged position of the ZIL in ERA5 from 1957 to 2020 for different <i>seasons </i>and <i>months</i>. File named:<ul><li>ZIL_ERA5_1957-2020_meanposition.csv<ul><li>Dimensions: [lons, season/month]</li><li>Units: degrees latitude</li></ul></li></ul></li><li><strong>ZIL_CEMIP6_Historical_position.zip:</strong> Mean position of the ZIL for every longitude point in Historical simulations of CEMIP6 from 1957 to 2014 for different <i>seasons</i>. Files named:<ul><li>ZIL_CEMIP6_Hist_[<i>season</i>]_position.csv<ul><li>Dimensions: [lons, models]</li><li>Units: degrees latitude</li></ul></li></ul></li><li><strong>ZIL_CEMIP6_SSP2-45.zip:</strong> Mean position of the ZIL for every longitude point under the SSP2-4.5 scenario in CEMIP6 for the period 2040-69 and 2070-90 for different <i>seasons</i>. Files named:<ul><li>ZIL_CEMIP6_SSP2-45_2040-69_[<i>season</i>]_position.csv<ul><li>Dimensions: [lons, models]</li><li>Units: degrees latitude</li></ul></li><li>ZIL_CEMIP6_SSP2-45_2070-99_[<i>season</i>]_position.csv<ul><li>Dimensions: [lons, models]</li><li>Units: degrees latitude</li></ul></li></ul></li><li><strong>ZIL_CEMIP6_SSP5-85.zip:</strong> Mean position of the ZIL for every longitude point under the SSP5-8.5 scenario in CEMIP6 for the period 2040-69 and 2070-90 and trends for the period 2015-99 for different <i>seasons</i>. Files named:<ul><li>ZIL_CEMIP6_SSP5-85_2040-69_[<i>season</i>]_position.csv<ul><li>Dimensions: [lons, models]</li><li>Units: degrees latitude</li></ul></li><li>ZIL_CEMIP6_SSP5-85_2070-99_[<i>season</i>]_position.csv<ul><li>Dimensions: [lons, models]</li><li>Units: degrees latitude</li></ul></li></ul></li></ul><p><i><strong>seasons</strong></i> are:</p><ul><li>ANN: Annual mean</li><li>DJF: December-January-February (Summer)</li><li>MAM: March-April-May (Autumn)</li><li>JJA: June-July-August (Winter)</li><li>SON: September-October-November (Spring)</li></ul><p><i><strong>areas</strong></i> are:</p><ul><li>Ant: All Antarctica</li><li>AP: Antarctic Peninsula</li></ul><p><strong>Note:</strong> CEMIPT6 models include a column with CEMIP6 model average</p><p><strong>Version control</strong></p><p>v1.0 - Initial version<br>v1.1 - Change ERA5 dataset calculations from preliminary version of ERA5 to final version of ERA5</p><p> </p><p><strong>How to cite</strong></p><p>If you use this dataset, please cite the accompanying paper as:</p><p> </p><p><strong>Complementary code</strong></p><p>You can find the jupyter notebooks to complement the research in: <a href="https://doi.org/10.5281/zenodo.10063849">https://doi.org/10.5281/zenodo.10063849</a></p><p> </p><p><strong>Contact</strong></p><p>If you have any question, please contact with Sergi at <a href="mailto:sergi.gonzalez@slf.ch">sergi.gonzalez@slf.ch</a></p>
Resolving the Interpretation of Magnetic Coercivity Components from Backfield Isothermal Remanence Curves Using Unmixing of Non-linear Preisach Maps: Application to Loess-Paleosol Sequences
<p>The data set includes:</p> <p>1. Non-linear Preisach measurements for Lunca and Costinești loess-paleosol sections</p> <p>2. IRM coercivity distributions from Lunca and Costinesti interpolated on a common sequence of fields</p> <p>3. Lunca granulometry data</p> <p>4. Median Grain size for Costineși section.</p> <p>5. Magnetic susceptibility data measured at Lunca section (Constantin et al., 2015)</p> <p>6. IRM acquisition curves derived from backfield IRM data through rescaling for Costinesti section</p> <p>7. Costinesti rock magnetic data (Necula et al., 2015)</p>
Operating diagram of hatching module in Zoug jars, this system consists of a 300-litre temperature-controlled isothermal enclosure containing 10 one-litre Zoug jars, each able to accommodate several hundred eggs. An ascending current holds the eggs in suspension and carries the larvae to the surface. Another bottle connected to this device collects the larvae. The water circulating in the jars is independent of that used in the filtration circuit. A cooling unit and UV sterilizer complete the installation. in Reproduction of Zingel asper (Linnaeus, 1758) in controlled conditions: an assessment of the experiences realized since 2005 at the Besançon Natural History Museum
Operating diagram of hatching module in Zoug jars, this system consists of a 300-litre temperature-controlled isothermal enclosure containing 10 one-litre Zoug jars, each able to accommodate several hundred eggs. An ascending current holds the eggs in suspension and carries the larvae to the surface. Another bottle connected to this device collects the larvae. The water circulating in the jars is independent of that used in the filtration circuit. A cooling unit and UV sterilizer complete the installation.
Operating diagram of IF incubator, two identical incubators were used for eggs that were already sorted. They are made up of an isothermal enclosure and contain three tiers (100 × 60 × 17 cm). The water circulating in each tier comes from the same filtration, cooling and sterilisation device. As a result, the eggs placed in the different tiers are subject to the same temperature regime. in Reproduction of Zingel asper (Linnaeus, 1758) in controlled conditions: an assessment of the experiences realized since 2005 at the Besançon Natural History Museum
Operating diagram of IF incubator, two identical incubators were used for eggs that were already sorted. They are made up of an isothermal enclosure and contain three tiers (100 × 60 × 17 cm). The water circulating in each tier comes from the same filtration, cooling and sterilisation device. As a result, the eggs placed in the different tiers are subject to the same temperature regime.
Water Isotherms of Adsorbent Materials Evaluated in the Hycool Project
<p>This data is a collection of water adsorption equilibria measured on a selection of water adsorbent materials.<br> They were produced by E. Piccoli (Empa) and revised by V. Brancato and A. Frazzica (CNR-ITAE) and by S. Galmarini (Empa).<br> The methods used to characterize the materials are described in [1], using a DVS Endeveour instrument from SMS. More details can be found in [2].<br> This work was performed in the framework of the project "HyCool: Industrial Cooling through Hybrid system based on Solar Heat", funded by the European Commission H2020 Programme under Grant Agreement No. 792073.</p>
A Preisach method for estimating absolute paleofield intensity under the constraint of using only isothermal measurements: 2. Experimental testing [DATASET]
<p>Raw FORC data published in:</p> <p>Muxworthy, A.R., Heslop, D., Paterson, G.A., Michalk, D., 2011. A Preisach method for estimating absolute paleofield intensity under the constraint of using only isothermal measurements: 2. Experimental testing. J. Geophys. Res. 116, B04103, doi:04110.01029/02010JB007844.</p>
Density-pressure isotherms of the 2D Lennard Jones fluid between the triple point temperature and the critical temperature
<p>Pressure-density isotherms of the 2D truncated-shifted Lennard-Jones fluid, with <span class="math-tex">\(r_{c} = 2.5 \sigma\)</span>:</p> <p><span class="math-tex">\(V\left(r\right) = \begin{cases} U\left(r\right) - U\left(r_{c}\right) & \text{if } 0 < r < r_{c}\\ 0 & \text{if } r \geq r_{c} \end{cases}\)</span> with <span class="math-tex">\(U\left(r\right) = 4 \varepsilon \left(\left(\frac{\sigma}{r}\right)^{12}-\left(\frac{\sigma}{r}\right)^{6}\right)\)</span></p> <p>All thermodynamic quantities are reduced with respect to the Lennard-Jones parameters <span class="math-tex">\(\sigma\)</span> and <span class="math-tex">\(\epsilon\)</span> :</p> <ul> <li>Number 2D density <span class="math-tex">\(\rho^{*} = \sigma^{2}\rho\)</span></li> <li>2D pressure <span class="math-tex">\(P^{*} = \frac{\sigma^{2}}{\varepsilon}P\)</span></li> <li>Temperature <span class="math-tex">\(T^{*} = \frac{k_{B} T}{\varepsilon}\)</span></li> </ul> <p>The temperatures of the isotherms are <span class="math-tex">\(T^{*} = 0.40\)</span>, <span class="math-tex">\(T^{*} = 0.41\)</span>, <span class="math-tex">\(T^{*} = 0.42\)</span>, <span class="math-tex">\(T^{*} = 0.43\)</span>, and <span class="math-tex">\(T^{*} = 0.44\)</span> which corresponds to the range of liquid-gas coexistence, between the triple point temperature (<span class="math-tex">\(T_{t}^{*} \approx 0.40\)</span>) and the critical temperature (<span class="math-tex">\(T_{c}^{*} \approx 0.46\)</span>). Here are reported the isotherms for the gas and liquid phases and the coexistence points.</p> <p>The liquid and gas isotherms are obtained by Molecular Dynamics with the LAMMPS software (<a href="https://lammps.sandia.gov/">https://lammps.sandia.gov/</a>). The density and temperature are imposed (Langevin thermostat) and the pressure is computed with the virial estimate. The simulations are performed for 2D systems of dimensions <span class="math-tex">\(L_{x} = 44.9 \sigma\)</span> and <span class="math-tex">\(L_{y} = 46.7 \sigma\)</span> containing between 1300 and 1900 particles in the liquid phase, and 4 to 200 particles in the gas phase. The systems are equilibrated over <span class="math-tex">\(3 \cdot 10^{7}\)</span> times steps. Then, the computation of the thermodynamic properties is performed over a variable number of time steps in order to reach a targeted accuracy (standard deviation of the pressure). The longest simulations (liquid approaching cavitation) require about <span class="math-tex">\(10^{9}\)</span> time steps of computation. The block averaging method is used to estimate the standard deviation of pressure. The data are provided in csv files named as follows : 'liq_TX.XX.txt' for the liquid at temperature <span class="math-tex">\(T^{*} = X.XX\)</span>, and 'gas_TX.XX.txt' for the gas at temperature <span class="math-tex">\(T^{*} = X.XX\)</span>. The first column is the inverse number density <span class="math-tex">\(1/\rho^{*}\)</span>, the second column is the pressure <span class="math-tex">\(P^{*}\)</span>, and the last column is the standard deviation of the pressure <span class="math-tex">\(\Delta P^{*}\)</span>.</p> <p>The coexistence points are obtained by Gibbs ensemble Monte Carlo with an in house code. The temperature is imposed and the liquid and gas densities and the coexistence pressure (virial estimate) are computed. The csv file 'coexistence.txt' contains the coexistence data in the following order: the first column is the temperature <span class="math-tex">\(T^{*}\)</span>, the second and third columns are the average and standard deviation of the inverse of the gas number density <span class="math-tex">\(1/\rho_{gas}^{*}\)</span> and <span class="math-tex">\(\Delta\left(1/\rho_{gas}^{*}\right)\)</span>, the forth and fifth columns are the average and standard deviation of the inverse of the liquid number density <span class="math-tex">\(1/\rho_{liq}^{*}\)</span> and <span class="math-tex">\(\Delta\left(1/\rho_{liq}^{*}\right)\)</span>, and the sixth and seventh columns are the average and standard deviation of the coexistence pressure <span class="math-tex">\(P^{*}\)</span> and <span class="math-tex">\(\Delta P^{*}\)</span>.</p> <p>The files 'chart_gas.pdf' and 'chart_liq.pdf' provide graphical display of the data, for the gas and liquid phases respectively.</p>
Supplementary material to: "Formation of low-pressure reaction textures during near-isothermal exhumation of hot orogenic crust (Bohemian Massif, Austria)"
<p>Supplemantary material to "Sorger, D., Hauzenberger, C. A., Finger, F., Linner, M., Skrzypek, E., & Schorn, S. (2024). Formation of low-pressure reaction textures during near-isothermal exhumation of hot orogenic crust (Bohemian Massif, Austria). Journal of Metamorphic Geology, 42(1), 3–34."</p>
Data of Two-fluid Modeling of Acoustic Wave Propagation in Gravitationally Stratified Isothermal Media
<p>Fully data of the paper "Two-fluid Modeling of Acoustic Wave Propagation in Gravitationally Stratified Isothermal Media" in the Astrophysical Journal.</p> <p>The Astrophysical Journal, 911:119 (18pp), 2021 April 20.</p>
CRAFTED: An exploratory database of simulated adsorption isotherms of nanoporous materials
<p><strong>Overview</strong></p><p>The files in this repository compose the <strong>C</strong>harge-dependent, <strong>R</strong>eproducible, <strong>A</strong>ccessible, <strong>F</strong>orcefield-dependent, and <strong>T</strong>emperature-dependent <strong>E</strong>xploratory <strong>D</strong>atabase (<strong>CRAFTED</strong>) of adsorption isotherms. This dataset contains the simulation of CO2 and N2 adsorption isotherms on 690 metal-organic frameworks taken from the CoRE-MOF-2014 database and 667 covalent organic frameworks taken from the CURATED-COFs database. The simulations were performed with two force fields (UFF and DREIDING), six partial charge schemes (no charges, Qeq, EQeq, DDEC, MPNN, and PACMOF), and three temperatures (273, 298, 323 K).</p><p><strong>Contents</strong></p><ul><li>CIF_FILES/ contains 6 folders (NEUTRAL, DDEC, EQeq, Qeq, MPNN, and PACMOF), each one with 1357 CIF files;</li><li>FORCEFIELDS/ contains 2 folders (UFF and DREIDING) with the definition of the forcefields;</li><li>INPUT_FILES/ contains 97,704 input files for the GCMC simulations;</li><li>ISOTHERM_FILES/ contains 97,704 adsorption isotherms resulting from the GCMC simulation;</li><li>ENTHALPY_FILES/ contains 97,704 enthalpies of adsorption from the isotherms;</li><li>RAC_DBSCAN/ contains the RAC and geometrical descriptors to perform the t-NSE + DBSCAN analysis;</li></ul><p><strong>Licenses</strong></p><p>The 690 MOF-related CIF files in the DDEC folder were downloaded from <a href="https://doi.org/10.5281/zenodo.3986573">CoRE-MOF-2014</a> and are licensed under the terms of the Creative Commons Attribution 4.0 International license (<a href="https://creativecommons.org/licenses/by/4.0/legalcode">CC-BY-4.0</a>). The 667 COF-related CIF files in the NEUTRAL folder were downloaded from <a href="https://github.com/danieleongari/CURATED-COFs">CURATED-COFs</a> and are licensed under the terms of the MIT license (<a href="https://github.com/danieleongari/CURATED-COFs/blob/master/LICENSE">MIT</a>).</p><blockquote><p>Dalar Nazarian, Jeffrey S. Camp, & David S. Sholl. (2016). Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2014 DDEC Database [Data set]. Zenodo. <a href="https://doi.org/10.5281/zenodo.3986573">https://doi.org/10.5281/zenodo.3986573</a></p><p>Ongari, Daniele, et al. "Building a consistent and reproducible database for adsorption evaluation in covalent–organic frameworks." ACS Central Science 5.10 (2019): 1663-1675. <a href="https://doi.org/10.1021/acscentsci.9b00619">https://doi.org/10.1021/acscentsci.9b00619</a></p><p>Ongari, Daniele, Leopold Talirz, and Berend Smit. "Too many materials and too many applications: An experimental problem waiting for a computational solution." ACS Central Science 6.11 (2020): 1890-1900. <a href="https://doi.org/10.1021/acscentsci.0c00988">https://doi.org/10.1021/acscentsci.0c00988</a></p></blockquote><p>The CO2.def and N2.def forcefield files were downloaded from <a href="https://github.com/iRASPA/RASPA2/tree/master/molecules/ExampleDefinitions">RASPA</a> and are licensed under the terms of the <a href="https://github.com/iRASPA/RASPA2/blob/master/COPYING">MIT</a> license.</p><blockquote><p>Dubbeldam, David, et al. "RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials." Molecular Simulation 42.2 (2016): 81-101. <a href="https://doi.org/10.1080/08927022.2015.1010082">https://doi.org/10.1080/08927022.2015.1010082</a></p></blockquote><p>The remaining MOF-related CIF files in the PACMOF, MPNN, Qeq, EQeq and NEUTRAL folders were derived from those in the DDEC folder and are licensed under the terms of the Creative Commons Attribution 4.0 International license (<a href="https://creativecommons.org/licenses/by/4.0/legalcode">CC-BY-4.0</a>) from the CoRE-MOF-2014 subset. The remaining COF-related CIF files in the PACMOF, MPNN, Qeq, EQeq and DDEC folders were derived from those in the NEUTRAL folder and are licensed under the terms of the MIT license (<a href="https://github.com/danieleongari/CURATED-COFs/blob/master/LICENSE">MIT</a>) from the CURATED-COFs subset.</p><p>All remaining files were created by us, and are licensed under the terms of the <a href="https://cdla.dev/sharing-1-0/">CDLA-Sharing-1.0</a> license.</p><p><strong>Software requirements</strong></p><p>In order to create a Python environment capable of running the Jupyter notebooks, please install <a href="https://docs.conda.io/en/latest/miniconda.html">conda</a> and execute</p><p>conda env create --file environment.yml</p><p><strong>Usage instructions</strong></p><p>Execute the command below to run JupyterLab in the appropriate Python environment.</p><p>conda run --name crafted jupyter-lab</p><p> </p>
Plasticizer Content by TGA - Isothermal TGA runs at 250 °C and dynamic TGA runs on the residue of isothermal runs.
<p>Datasets obtained for the Plasticizer Content by TGA analysis, from the paper "An Integrated Characterization Strategy on Board for Recycling of poly(vinyl butyral) (PVB) from Laminated Glass Wastes"</p>
Dataset to "Local thermodynamic description of isothermal single-phase flow in simple porous media"
<p>This is the dataset presented in the article "Local thermodynamic description of isothermal single-phase flow in porous media" [1]. This dataset contains three files: "equilibrium.out", "equilibrium_bulk.out", and "flow.out". The first file contains data for equilibrium simulations of the porous medium, while the second file contains data for equilibrium simulations of bulk fluid, and the third file contains data for non-equilibrium simulations of the porous medium.</p> <p>[1] https://doi.org/10.1007/s11242-022-01844-x</p> <p><strong>In the file "equilibrium.out" the columns from left to right are</strong></p> <ol> <li>Temperature</li> <li>Standard deviation of the temperature</li> <li>Lattice constant</li> <li>Fluid chemical potential</li> <li>Potential energy</li> <li>Standard deviation of the potential energy</li> <li>Kinetic energy</li> <li>Standard deviation of the kinetic energy</li> <li>Fluid mass density</li> <li>Standard deviation of the fluid mass density</li> </ol> <p><strong>In the file "equilibrium_bulk.out" the columns from left to right are</strong></p> <ol> <li>Temperature</li> <li>Standard deviation of the temperature</li> <li>Fluid chemical potential</li> <li>Potential energy</li> <li>Standard deviation of the potential energy</li> <li>Kinetic energy</li> <li>Standard deviation of the kinetic energy</li> <li>Fluid mass density</li> <li>Standard deviation of the fluid mass density</li> <li>Trace of the mechanical pressure tensor divided by 3</li> <li>Standard deviation of the trace of the mechanical pressure tensor divided by 3</li> </ol> <p><strong>In the file "flow.out" the columns from left to right are</strong></p> <ol> <li>Temperature</li> <li>Standard deviation of the temperature</li> <li>Lattice constant</li> <li>Fluid chemical potential</li> <li>Passing probability of reflecting particle method (RPM)</li> <li>Mass flux</li> <li>Standard deviation of the mass flux</li> <li>Integral pressure gradient</li> <li>Standard deviation of the integral pressure</li> </ol>
Figure 1 in Diagnostic accuracy of loop-mediated isothermal amplification (LAMP) for screening patients with imported malaria in a non-endemic setting
Figure 1. Study flow chart.
Isothermal calorimetry data of seawater-mixed cement pastes produced with binary and ternary blended binder composition with fly ash, slag, metakaolin, and limestone
<p>The following file consists of data and its metadata from the published article Rathnarajan et al., (2024) Comprehensive evaluation of early-age hydration and compressive strength development in seawater-mixed binary and ternary cementitious systems published in Archives of Civil and Mechanical Engineering. </p> <p>Metadata file: metadata_calorimetry.xlsx consists of the details of file name, operator of equipment, test starting to completion time, number of hours, and notation of the mix-IDs according to the paper. </p> <p>In 11 data files in xlsx format, the heat flow and cumulative heat generated up to 7 days for the various binder combinations produced with CEM I, fly ash, metakaolin, slag, and limestone are presented. Along with that normalized heat flow and normalized cumulative heat with respec to time up to 7 days were included. The following are the data file names in .xlsx format included along with this zip file. </p> <p>P1-P8.xlsx<br>P9-P14.xlsx<br>P15-P18.xlsx<br>P19-P24.xlsx<br>P25-28.xlsx<br>P29-30-43-46.xlsx<br>P33_34-P39-41.xlsx<br>P47-P52.xlsx<br>P53-P58.xlsx<br>P59-P64.xlsx<br>P65-P70.xlsx</p> <p>The following files can be accessed with the pacakge Microsoft excel and data can be used for further analysis. </p>
Physical Insights from Frumkin Isotherm Applied to Electrolyte Gated Organic Transistor as Protein Biosensors
<p>The uploaded data include the transfer curves at every IL-6 concentration and for control experiments (TNFalpha and IL-1beta).</p> <p>Electrical measurements were acquired in 50 mM PBS, pH 7.4, containing a constant concentration of 0.1 mg/mL BSA and 0.05% Tween 20 under static conditions.</p> <p>Anti-IL-6 antibodies were immobilized on the gate electrode through EDC/NHS coupling onto mixed mercaptoundecanoic acid:6-mercaptohexanol (1:3) SAM.</p>
Isothermal titration calorimetric study on the binding of iron to human serum transferrin - experimental data
<p>Experimental data for a paper entitled <em>Glycoproteomics meets thermodynamics: a calorimetric study of the effect of sialylation and synergistic anion on the binding of iron to human serum transferrin</em> (<a href="https://doi.org/10.1016/j.jinorgbio.2023.112207">https://doi.org/10.1016/j.jinorgbio.2023.112207</a>).<br> <br> Separate files are provided with the following information:<br> <br> 1. ITC titrations of native (Tf+s) and desialylated (Tf-s) apo-transferrin with FeNTA in the presence of carbonate and oxalate.<br> <br> a) Raw data with corresponding fit results are available in .apj file format: <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko et al. ITC - Malvern Microcal format.zip?versionId=e1a08c09-9401-42fa-a626-683a2fcc1be5">Borko et al. ITC - Malvern Microcal format.zip </a><br> <br> The files can be accessed using MicroCal PEAQ-ITC Analysis software, which can be downloaded here:<br> <br> <a href="https://www.malvernpanalytical.com/en/support/product-support/microcal-range/microcal-itc-range/microcal-peaq-itc#software">https://www.malvernpanalytical.com/en/support/product-support/microcal-range/microcal-itc-range/microcal-peaq-itc#software</a><br> <br> b) The raw data including control experiments are also available in ASCII (.csv) format: <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko et al. ITC - ASCII format.zip?versionId=20ecf17b-54d9-4b33-8de9-a6f256211cc6">Borko et al. ITC - ASCII format.zip</a></p> <p>2. Overview of titration results, including error propagation and inputs for statistical analysis: <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko%20et%20al.%20-%20Results.xlsx">Borko et al. - Results.xlsx</a><br> <br> 3. Graph of the overall effect of desialylation and synergistic anion on the thermodynamic parameters for the reaction of native (Tf+s) and desialylated (Tf-s) apotransferrin with FeNTA, based on the values of ∆<sub>r</sub><em>H</em>° and -<em>T</em>∆<sub>r</sub><em>S</em>°: <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko%20et%20al.%20-%20dH%20vs.%20-TdS%20plot.xlsx">Borko et al. - dH vs. -TdS plot.xlsx</a></p> <p>4. Complete statistical analysis of results: <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko%20et%20al.%20-%20Statistics.xlsx">Borko et al. - Statistics.xlsx </a><br> <br> a) Shapiro-Wilk test for normality of data.<br> b) Brown-Forsythe test for homogeneity of variances.<br> c) One-way and two-way ANOVA for all parameters, including Welch-James one-way ANOVA with approximate degrees of freedom and an overview of the obtained results.<br> d) Hedges' d values for effect size.<br> <br> All calculations were performed using the built-in functions in Excel 365 or the Real Statistics Resource Pack, which can be downloaded here:<br> <br> <a href="https://www.real-statistics.com/free-download/real-statistics-resource-pack/">https://www.real-statistics.com/free-download/real-statistics-resource-pack/</a><br> <br> After installation, it may be necessary to change the source of the XRealStats add-in to automatically update the calculations using the Edit Links dialogue. The location of the installed XRealStats.xlam file may need to be added to the Trusted Locations in the Excel Trust Center settings.<br> <br> 5. Welch-James Two-way ANOVA with approximate degrees of freedom performed with Rstudio (version 2022.01.1 build554) using the welchADF package for R (version 4.2.1): <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko%20et%20al.%20-%20WelchADF%202-way%20ANOVA%20%28Rstudio%29.zip">Borko et al. - WelchADF 2-way ANOVA (Rstudio).zip</a><br> <br> More details about the welchADF package can be found here: <a href="https://doi.org/10.32614/RJ-2017-049">https://doi.org/10.32614/RJ-2017-049</a><br> <br> 6. UHPLC chromatograms used to assign the structures and content of N-glycans in native and desialylated apo-transferrin, including the Python script for peak integration: <a href="https://zenodo.org/api/files/188f4399-e839-4710-8a28-996af05961aa/Borko%20et%20al.%20-%20UHPLC%20chromatograms.zip">Borko et al. - UHPLC chromatograms.zip</a></p> <p>For additional details and background, please visit: <a href="https://glymech.pharma.hr//GlyMech.html">https://glymech.pharma.hr//GlyMech.html</a>.</p> <p> </p>
Materials characterization and adsorption isotherm data
<p><span>Nano-zirconia (ZO) was synthesized using a microwave assisted one pot precipitation route. Two biopolymers, chitosan (CTS) and carboxymethyl cellulose (CMC), were then combined with zirconia at different w/w ratios in order to identify the system with the most improved sorption properties towards Pb(II), Cd(II), As(V) and F<sup>-</sup>. The formulation with 30% w/w chitosan (ZO-CTS) was found to give enhanced uptake of F<sup>-</sup> and As(V). Improved sorption properties could not be observed for Pb(II) and Cd(II) in any of the ZO-polymer blends, with ZO being the most potent sorbent here. ZO and the lead system ZO-CTS were characterized in detail using Fourier transform infra-red spectroscopy, scanning electron microscopy, X-ray diffraction and X-ray photoelectron spectroscopy (XPS). These confirmed the formation of a composite system comprising nanoparticles with 50 nm in size in which ZO was present in the amorphous form. Interactions between Zr and the amide and hydroxide groups of chitosan were suggested from XPS. Batch adsorption studies were carried out and equilibrium adsorption data were fitted to a series of isotherm models. It was observed that the combination of ZO with CTS improved the F<sup>-</sup> and As(V) adsorption capacity most notably at pH 5.2. Fluoride adsorption by ZO-CTS followed the Freundlich isotherm model, with an adsorption capacity of 120 mg/g. Adsorption of As(V) by ZO-CTS could be fitted with both the Langmuir and Freundlich isotherm models, and was found to have a capacity of 14.8 mg/g. Gravity filtration studies were also carried out at two different pH levels to test the feasibility of ZO-CTS in real-world applications. These indicated that the sorbent could be used to filter a significant volume of water and ensure that pollutant levels remained below acceptable values.</span></p>
Isothermal self-assembly of multicomponent and evolutive DNA nanostructures
<p>This dataset contains the cadnano files of DNA origamis used in this work as well as all original AFM images used for the data analyses shown in Fig. 1C, Fig. 2A, and Fig. 5.</p>
A Non-Isothermal Phase-Field Crystal Model with Lattice Expansion: Analysis and Benchmarks
<h1>Non-isothermal pase-field crystal simulations with lattice expansion</h1> <p>Openly available Matlab simulation files used to produce the phase-field crystal and temperature results.</p> <p>Files are named by the corresponding figures. Simulations can be started by runnning the Figure*.m files.</p> <h2><a href="#figure1_2_3_dendrite"></a>Figure1_2_3_dendrite</h2> <p>Dendritic solidification with heat flux and lattice expansion Parameter studies for figures 2 and 3 can be obtained by setting the respective parameter values in /simulation/Pre/Parameter/Pre_modelParameters</p> <h2><a href="#figure4_opensystems"></a>Figure4_openSystems</h2> <p>Results for solidification in open systems controlled by applied heat flux</p> <h2><a href="#disclaimer"></a>Disclaimer</h2> <p>The software is released here under the MIT license. We kindly ask to refer to/cite for any usage and extension. The authors are thankful for any advice considering typos, mistakes, and/or discussions around the code/implementation or the topic of the related publication in general. Please do not hesitate to contact the main author, Maik Punke, via: <a href="mailto:maik.punke@tu-dresden.de">maik.punke@tu-dresden.de</a></p>
Materials characterization and adsorption isotherm data
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