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805 results for “magnesium”
Dataset: Electrolyte-dependent deposition morphology on magnesium metal utilizing MeMgCl, Mg[B(hfip)4]2 and Mg(HMDS)2–2AlCl3 electrolytes
<p>This is a collection featuring the data generated and used within the paper: 'Electrolyte-dependent deposition morphology on magnesium metal utilizing MeMgCl, Mg[B(hfip)4]2 and Mg(HMDS)2–2AlCl3 electrolytes'. The deposition behavior of two state-of-the-art electrolytes, magnesium tetrakis(hexafluoroisopropyloxy)borate (Mg[B(hfip)~4~]~2~) in dimethoxyethane (DME) and magnesium bis(hexamethyldisilazide) with two equivalents of aluminum chloride (Mg(HMDS)~2~-2AlCl~3~) in tetrahydrofuran (THF) was investigated. Using symmetric flooded magnesium-magnesium cells with different electrolyte concentrations and current densities the deposition process was monitored optically in-situ by a video microscope. The depositions were characterized by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX) and compared to depositions from methylmagnesium chloride (MeMgCl) in THF, known for its dendritic growth. In this work, MeMgCl showed unidirectional growth and for the harshest applied conditions, mossy depositions, but no branching dendrites as reported in previous literature. Mg[B(hfip)~4~]~2~ and Mg(HMDS)~2~-2AlCl~3~ did not show the formation of dendrites or a dendrite preform but also did not result in a desired smooth layer but in spherical depositions. For the Mg[B(hfip)~4~]~2~ electrolyte, the influence of magnesium borohydride (Mg(BH~4~)~2~) as an additive was additionally tested resulting in a more planar growth.</p>
iSDAsoil: soil extractable Magnesium for Africa predicted at 30 m resolution at 0-20 and 20-50 cm depths
<p>iSDAsoil dataset soil extractable Magnesium (Mg) log-transformed predicted at 30 m resolution for 0–20 and 20–50 cm depth intervals. Data has been projected in WGS84 coordinate system and compiled as <a href="https://gdal.org/drivers/raster/cog.html">COG</a>. Predictions have been generated using multi-scale Ensemble Machine Learning with 250 m (MODIS, PROBA-V, climatic variables and similar) and 30 m (DTM derivatives, Landsat, Sentinel-2 and similar) resolution covariates. For model training we use a pan-African compilations of soil samples and profiles (<a href="https://www.isda-africa.com/national-soil-services/">iSDA points</a>, <a href="https://www.isric.org/projects/africa-soil-profiles-database-afsp">AfSPDB</a>, and other national and regional soil datasets). Cite as:</p> <p>Hengl, T., Miller, M.A.E., Križan, J. <em>et al.</em> African soil properties and nutrients mapped at 30 m spatial resolution using two-scale ensemble machine learning. <em>Sci Rep</em> <strong>11, </strong>6130 (2021). <a href="https://doi.org/10.1038/s41598-021-85639-y">https://doi.org/10.1038/s41598-021-85639-y</a></p> <p>To open the maps in QGIS and/or directly compute with them, please use the <a href="https://gitlab.com/openlandmap/africa-soil-and-agronomy-data-cube"><strong>Cloud-Optimized GeoTIFF version</strong></a>.</p> <p>Layer description:</p> <ul> <li>sol_log.mg_mehlich3_m_30m_*..*cm_2001..2017_v0.13_wgs84.tif = predicted soil extractable Magnesium mean value,</li> <li>sol_log.mg_mehlich3_md_30m_*..*cm_2001..2017_v0.13_wgs84.tif = predicted soil extractable Magnesium model (prediction) errors,</li> </ul> <p>Model errors were derived using bootstrapping: md is derived as standard deviation of individual learners from 5-fold cross-validation (using spatial blocking). The model 5-fold cross-validation (<a href="https://mlr.mlr-org.com/reference/makeStackedLearner.html">mlr::makeStackedLearner</a>) for this variable indicates:</p> <pre><code>Variable: log.mg_mehlich3 R-square: 0.815 Fitted values sd: 1.05 RMSE: 0.498 Random forest model: Call: stats::lm(formula = f, data = d) Residuals: Min 1Q Median 3Q Max -5.8775 -0.2312 0.0028 0.2465 3.7400 Coefficients: Estimate Std. Error t value Pr(>|t|) (Intercept) -0.034349 0.051219 -0.671 0.5025 regr.ranger 1.034217 0.003263 316.950 <2e-16 *** regr.xgboost -0.008057 0.003854 -2.091 0.0366 * regr.cubist 0.073223 0.003649 20.067 <2e-16 *** regr.nnet -0.017388 0.009528 -1.825 0.0680 . regr.cvglmnet -0.075566 0.003402 -22.213 <2e-16 *** --- Signif. codes: 0 '***' 0.001 '**' 0.01 '*' 0.05 '.' 0.1 ' ' 1 Residual standard error: 0.4979 on 136681 degrees of freedom Multiple R-squared: 0.8152, Adjusted R-squared: 0.8152 F-statistic: 1.206e+05 on 5 and 136681 DF, p-value: < 2.2e-16 </code></pre> <p>To back-transform values (y) to ppm use the following formula:</p> <pre><code>ppm = expm1( y / 10 )</code></pre> <p>To submit an issue or request support please visit <a href="https://isda-africa.com/isdasoil"><strong>https://isda-africa.com/isdasoil</strong></a></p>
Dataset for the publication: First-principles studies on the atomistic properties of metallic magnesium as anode material in magnesium-ion batteries
<p>This dataset contains the input and output files from the calculation of the atomistic properties of metallic magnesium, such as bulk, surface, adsorption, and diffusion properties.</p> <p>The discussion of the results were published in the ChemSusChem article: 'First-principles studies on the atomistic properties of metallic magnesium as anode material in magnesium-ion batteries' (<a href="https://doi.org/10.1002/cssc.202200414">https://doi.org/10.1002/cssc.202200414</a>). A preprint of the publication is further available under: <a href="http://doi.org/10.26434/chemrxiv-2022-qz055">https://doi.org/10.26434/chemrxiv-2022-qz055</a>.</p> <p>All calculations were performed using the density function theory code Vienna <em>ab initio</em> simulation package (VASP).</p> <p>The dataset contains all raw data for the performed convergence studies and calculated bulk-, surface-, adsorption-, and diffusion properties. An overview of the folder structure of the Zip archive, more precisely in which folders the data for the respective figures or tables of the underlying publication (<a href="https://doi.org/10.1002/cssc.202200414">https://doi.org/10.1002/cssc.202200414</a>) are stored, is provided in the following table:</p> <table> <tbody> <tr> <td>Convergence_study</td> <td>Figure S1</td> </tr> <tr> <td>Bulk_properties</td> <td>Table S3</td> </tr> <tr> <td>Surface_properties</td> <td>Table 1, Table 2, Figure 1, Table S5</td> </tr> <tr> <td>Adsorption_properties</td> <td>Monomer: Table S6; Dimer: Table 4, Table 5, Table 6; Islands: Figure S5, Table S9</td> </tr> <tr> <td>Diffusion_properties</td> <td>Table 3, Table 7, Table 8, Table 9, Table 10, Table 11, Table 12, Figure 13, Figure 14, Table S7, Table S8, Table S10 Table S11, Figure S4, Figure S7, Figure S9</td> </tr> </tbody> </table> <p> </p>
Dataset for the publication: Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries
<p>This dataset contains all input and output files of the performed calculations, which results were published in the ChemSusChem article: 'Development of a Mg/O ReaxFF Potential to describe the Passivation Processes in Magnesium-Ion Batteries' (<a href="https://doi.org/10.1002/cssc.202201821">https://doi.org/10.1002/cssc.202201821</a>). A preprint of the publication is further available under: <a href="http://doi.org/10.26434/chemrxiv-2022-3chph">https://doi.org/10.26434/chemrxiv-2022-3chph</a>.</p>
Evaluation of the Purity of Magnesium Hydroxide Recovered from Saltwork Bitterns
<p>Magnesium has been listed among the 30 critical raw materials by the European Union. In recent years, many green and sustainable alternative Mg<sup>2+</sup> sources have been sought to satisfy the EU’s demand and to avoid mineral ore consumption. In this context, saltwork bitterns, the by-products of solar sea salt production, have attracted much attention thanks to their high Mg<sup>2+</sup> concentrations (up to 80 g/L) and low Ca<sup>2+</sup> and bicarbonate contents (<0.5 g/L). Although investigations on Mg<sup>2+</sup> extraction from bitterns in the form of Mg(OH)<sub>2</sub>(s) have already been performed, product purity has never been properly addressed. Mg(OH)<sub>2</sub>(s) is a chemical compound of great interest and extensive utility in numerous industrial applications only if the powder’s purity is >95% (w/w). This work presents a comprehensive experimental effort of reactive precipitation tests with NaOH solutions at stoichiometric and over-stoichiometric concentrations to: (i) assess the technical feasibility of Mg<sup>2+</sup> recovery from real bitterns collected in saltworks of the Trapani district (Italy) and, (ii) for the first time, conduct an extensive purity investigation of the precipitated magnesium hydroxide powders as brucite. This experimental investigation demonstrates the possibility of extracting highly valuable compounds from saltwork bittern waste, embracing the water valorization and resource recovery approach.</p>
Magnesium AZ31 HRDIC Data Set
<p>This pack contains the data set obtained from the high-resolution digital image correlation (HRDIC) study of an AZ31 magnesium alloy. This data set can be visualised using the notebook (https://doi.org/10.5281/zenodo.376503), which can be used as a companion to out article entitled " Why magnesium is not brittle: a quantitative study on the accommodation of deformation incompatibility". Additionally, EBSD data set for the same region can be found in https://doi.org/10.5281/zenodo.345925.</p> <p>This data repository contains:</p> <ul> <li>AZ31.txt: correlation data.</li> <li>AZ31.npy: correlation data in binary iPython format.</li> <li>MSSPowerNorm.tif: high-resolution image of the effective shear strain using the data set and the iPython notebook.</li> </ul> <p>Patterning was performed using an in house styrene-assisted gold remodelling device producing gold speckles sizes in the range 20-40 nm.</p> <p>Backscattered electron images were obtained using a FEI Magellan HR 400L FE-SEM at a working distance of 3.2 mm, 1 kV, 0.8 nA beam current, using immersion mode and a beam deceleration with stage bias of 2 kV. Mosaics of 15x15 images were used to cover 135x120 µm<sup>2</sup>. Each tile is an image containing 2048 x 1768 pixels and has a horizontal field of view of 14.92 µm. The images were overlapped by 25% to enable easy stitching prior to the digital image correlation. Two mosaics were obtained, one before and one after deformation</p> <p> </p>
Molecular dynamic trajectory of magnesium binding wild type for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"
<p>ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding magnesium:</p> <p>50ns trajectory (ATPsynth_woh2o_Mg_wt.dcd) and corresponding psf file (ATPsynth_mg_wt.psf)</p>
Molecular dynamic trajectory of magnesium binding T163S mutant for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"
<p>ATP synthase molecular dynamics simulations files for T163S mutants of the beta subunit binding magnesium:</p> <p>50ns trajectory (ATPsynth_woh2o_Mg_mut.dcd) and corresponding psf file (ATPsynth_mg_mut.psf)</p> <p> </p>
NMR data for Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (17). 1H, 13C, HSQC
<p>NMP FAIRSpec example collection</p>
Dataset to Why Hydrogen Dissociation Catalysts do not Work for Hydrogenation of Magnesium by Selim Kazaz et al.,, Fig. 1, 2, 3, 4 , 5 ,6
<p>Datasets to publication S. Kazaz et al, Adv. Sci. 2023, 2304603c; Why Hydrogen Dissociation Catalysts do not Work for Hydrogenation of Magnesium; additional data/explanation upon request (corresponding authors)</p>
Fe-bearing magnesium silicate glasses for potential supplementary cementitious applications
<p>The enclosed raw data files include various formats from multiple characterization techniques, covering XPS, BET SSA, XRF, SEM-EDS, ICP, FTIR, XRD, PSD, DSC-TG, TEM-EDS, and Mössbauer analyses. The formats and file details are as follows:</p> <ul> <li>XPS: Provided in .VGD format.</li> <li>BET SSA: Available in .xls and .xps formats.</li> <li>XRF: Data provided in .xlsx format, with filenames containing 'XRF'.</li> <li>SEM-EDS: Reports included in .xlsx format.</li> <li>ICP: Data listed in .pdf format, with filenames including the date and project information.</li> <li>FTIR: Raw data included in .dpt files.</li> <li>XRD: Data provided in .raw and .xrdml formats.</li> <li>PSD: Included in .pdf and .xlsx files, with filenames containing 'PSD'. </li> <li>DSC-TG: Data available in .xls files, with filenames indicating 'DSC_TG'.</li> <li>TEM-EDS: Elemental maps provided in .jpg and .bmp formats.</li> <li>Mössbauer: Raw data provided in .plt files.</li> </ul> <p>Please note that the percentages in the sample names do not correspond directly to the final sample codes (e.g., 25% does not equate to the final G25 sample). This discrepancy has been corrected based on the XRF results. For clarity, refer to the file 'Chuqing Jiang Fe-Mg-Si XRF 04-04-2023 - raw data and calculation.xlsx', which includes detailed renaming of the samples.</p>
A multicenter randomized phase 4 trial comparing Sodium Picosulphate plus Magnesium Citrate vs Polyethylene Glycol plus Ascorbic Acid for bowel PREparation before COLonoscopy. The PRECOL trial.
<p>This is the database for final analysis of the PRECOL clinical trial, whose abstract follows</p> <p>Background<strong>.</strong> Adequate bowel preparation before colonoscopy is crucial. Unfortunately, up to 25% of all colonoscopies have inadequate bowel cleansing. From a patient perspective, bowel preparation is a main obstacle for colonoscopy. Several low-volume bowel preparations have been formulated to provide more tolerable purgative solutions without loss of efficacy.</p> <p>Methods: In this phase 4, randomized, multicenter, two-arm trial, adult outpatients undergoing colonoscopy received either Sodium Picosulphate plus Magnesium Citrate (SPMC) or Polyethylene Glycol plus Ascorbic Acid (PEG-ASC) for bowel preparation. The primary aims were to test quality of bowel cleansing (primary endpoint, scored according the Boston Bowel Preparation Scale) and patient’s acceptance (measured with 6 visual analogue scales). The study was open as for treatment assignment, and blinded for primary endpoint assessment that was done independently on videotaped colonoscopies by 2 endoscopists not aware of study arm. A sample size of 525 patients was calculated to recognize a difference of 10% in the proportion of successes between the arms with a two-sided alpha error of 0·05 and 90% statistical power.</p> <p>Findings: overall 550 subjects (279 assigned to PEG-ASC and 271 assigned to SPMC) represented the analysis population. There was no statistically significant difference in the success rate according to BBPS: 94·4% with PEG-ASC and 95·7% with SPMC (P=0·49). Acceptance and willing to repeat were significantly better for SPMC with all the scales. Compliance was less than full in 6·6% and 9·9% of cases with PEG-ASC and SPMC, respectively (P=0·17). Nausea and meteorism were significantly more bothersome with PEG-ASC than SPMC. There were no serious adverse events in either group.</p> <p>Interpretation. SPMC and PEG-ASC are not different in terms of efficacy, but SPMC is better tolerated than PEG-ASC. SPMC could be used as alternative to low-volume PEG based purgative solutions for bowel preparation.</p> <p>Funding. This research had no financial support.</p> <p>ClinicalTrials.gov NCT01649674; EudraCT 2011—000587—10.</p>
Tensile tests results on artificially aged aluminum-magnesium-silicon alloy blanks subjected to different localized heat treatment strategies
<p>Tensile tests results on artificially aged aluminum-magnesium-silicon alloy blanks subjected to different localized heat treatment strategies </p>
Computational micromechanics of bioabsorbable magnesium stents: Supporting Data
<p>Data including UMATs, Abaqus input files and experimental measurements related to the paper 'Computational micromechanics of bioabsorbable magnesium stents' <a title="Persistent link using digital object identifier" href="https://doi.org/10.1016/j.jmbbm.2014.01.007" target="_blank" rel="noreferrer noopener"><span>https://doi.org/10.1016/j.jmbbm.2014.01.007</span></a></p>
Data set for "A Magnesium Binding Site And The Anomeric Effect Regulate The Abiotic Redox Chemistry Of Nicotinamide Nucleotides"
<p>Data associated with Sebastianelli L, Kaur H, Chen Z, Krishnamurthy R, Mansy SS (2024) A magnesium binding site and the anomeric effect regulate the abiotic redox chemistry of nicotinamide nucleotides. Chem Eur J. 30, e202400411. DOI: 10.1002/chem.202400411 [<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202400411">link</a>]</p>
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>
Data set: Modeling of Electron-Transfer Kinetics in Magnesium Electrolytes: Influence of the Solvent on the Battery Performance
<p>Dataset of the continuum simulations generated and used within the paper "<span>Modeling of Electron-Transfer Kinetics in Magnesium Electrolytes: Influence of the Solvent on the Battery Performance</span>", published in ChemSusChem (<span>2021</span><span>, </span><span>14 (21)</span><span>, 4820-4835, DOI: <span>10.1002/cssc.202101498</span></span>).</p> <p><span>The performance of rechargeable magnesium batteries is strongly dependent on the choice of electrolyte. The desolvation of multivalent cations usually goes along with high energy barriers, which can have a crucial impact on the plating reaction. This can lead to significantly higher overpotentials for magnesium deposition compared to magnesium dissolution. In this work we combine experimental measurements with DFT calculations and continuum modeling to analyze magnesium deposition in various solvents. Jointly, these methods provide a better understanding of the electrode reactions and especially the magnesium deposition mechanism. Thereby, a kinetic model for electrochemical reactions at metal electrodes is developed, which explicitly couples desolvation to electron transfer and, furthermore, qualitatively takes into account effects of the electrochemical double layer. The influence of different solvents on the battery performance is studied for<br>the state-of-the-art magnesium tetrakis(hexafluoroisopropyloxy)borate electrolyte salt. It becomes apparent that not necessarily a whole solvent molecule must be stripped from the</span> <span>solvated magnesium cation before the first reduction step can take place. For magnesium reduction it seems to be sufficient to have one coordination site available, so that the magnesium cation is able to get closer to the electrode surface. Thereby, the initial desolvation of the magnesium cation determines the deposition reaction for mono-, tri- and tetraglyme, whereas the influence of the desolvation on the plating reaction is minor for diglyme and<br>tetrahydrofuran. Overall, we can give a clear recommendation for diglyme to be applied as solvent in magnesium electrolytes</span>.<br><br></p>
Data set: Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance
<p>Dataset of the continuum simulations generated and used within the paper "Modeling of Ion Agglomeration in Magnesium Electrolytes and its Impacts on Battery Performance", published in ChemSusChem (<span>2020</span><span>, </span><span>13 (14)</span><span>, 3599-3604, </span>DOI: 10.1002/cssc.202001034).</p> <p><br>The choice of electrolyte has a crucial influence on the performance of rechargeable magnesium batteries. In multivalent electrolytes an agglomeration of ions to pairs or bigger clusters may affect the transport in the<br>electrolyte and the reaction at the electrodes. In this work the formation of clusters is included in a general model for magnesium batteries. In this model, the effect of cluster formation on transport, thermodynamics and kinetics is consistently taken into account. The model is used to analyze the effect of ion clustering in magnesium tetrakis(hexafluoroisopropyloxy)borate in dimethoxyethane as electrolyte. It becomes apparent that ion agglomeration is able to explain experimentally observed phenomena at high salt concentrations. </p>
Magnesium Hydroxide Nanoparticles Production from Natural Bitterns
<p>Magnesium hydroxide nanoparticles are widely employed in numerous industrial applications. Several preparation methods have been proposed using mainly synthetic Mg<sup>2+</sup> containing solutions. In the present work, the possibility of producing Mg(OH)<sub>2</sub> nanoparticles from real bitterns, the by-product of sea salt production, is investigated. Bitterns are highly concentrated Mg<sup>2+</sup> containing solutions whose exploitation can turn a waste into valuable products embracing the circular economy idea. Two bitterns collected from Galia and Margi saltworks of the district of Trapani (Italy) were studied. Galia and Margi bitterns had a 1 M and 2.5 M Mg<sup>2+</sup> concentration, respectively. A 2 mm diameter circular-cross sectional T-mixer was adopted to ensure fast reactant mixing. NaOH solutions were employed as precipitant agents. Mg(OH)<sub>2</sub> nanoparticles characterized by cationic and mass purity higher than 99 % and 90 %, respectively, were successfully produced when treating Galia bitterns, while the excessive Margi Mg<sup>2+</sup> concentration yielded stronger micrometer Mg(OH)<sub>2</sub> agglomerates.</p>
Expression of mgtA encoding a magnesium transporter is activated in the absence of the main Mg2+ transporter CorA in Salmonella
<p><i>Salmonella</i> imports magnesium via three known transporters, the widely conserved CorA transporter and the MgtA and MgtB P-type ATPases. CorA is expressed under various growth conditions whereas the other two magnesium transporters, MgtA and MgtB, are expressed under conditions of magnesium starvation under the positive control of the PhoP-PhoQ regulatory system. <br>Our recent results suggest that production of MgtA, but not that of MgtB, is activated in the absence of the main Mg2+ transporter CorA (Metaane <i>et al </i>2022, 2023 ) <br>This hypothesis was further validated in this study by using transcriptional and translational <i>lacZ </i>fusions in the <i>mgtA </i>and <i>mgtB</i> genes. In addition, our data suggest that regulation of expression of MgtA in the absence of CorA is post-transcriptional . </p><p><strong>This work was supported by the French National Research Agency (ANR-19-CE44-0005-01, PERIOMET project).</strong> </p><p>Metaane S, Monteil V, Ayrault S, Bordier L, Levi-Meyreuis C, Norel F. The stress sigma factor sigmaS/RpoS counteracts Fur repression of genes involved in iron and manganese metabolism and modulates the ionome of <i>Salmonella enterica </i>serovar Typhimurium. PLoS One 2022;17(3):e0265511.</p><p>Metaane S, Monteil V, Douché T, Giai Gianetto Q, Matondo M, Maufrais C, Norel F. Loss of CorA, the primary magnesium transporter of <i>Salmonella, </i>is alleviated by MgtA and PhoP-dependent compensatory mechanisms. PLoS One 2023;18(9):e0291736.</p><p> </p>
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