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121 results for “glycerol”
Equilibrium contact angle of acqueous glycerol on a silica-like surface from Molecular Dynamics
<p>This dataset contains the results of Molecular Dynamics simulations of quasi-2D water-glycerol liquid droplets, spreading on silica-like surfaces. The goal of the simulations is to quantify the equilibrium contact angle of said droplets.</p> <p>The pattern "Glycerol***" refers to the mass fraction of glycerol ("000": pure water, "100": pure glycerol). Each folder contains configuration files and compressed output molecular trajectories. The contact angle is computed from density maps binned on-the-fly using a customized Gromacs version (<a href="https://github.com/pjohansson/gromacs-flow-field">https://github.com/pjohansson/gromacs-flow-field</a>); frames are placed in a tarball ("flow-***p.tar.gz").</p> <p>The zipped folder 'scripts.zip' contains a self-contained library of functions to read density maps and a Jupyter notebook with an example of density reading and plotting.</p> <p>Simulations are performed with Gromacs. We refer to the code documentation for further information (<a href="https://manual.gromacs.org/">https://manual.gromacs.org/</a>).</p>
MD simulation trajectories of Glycerol for different POPC/Cholesterol concentrations (0,10,15,20,25,35,50%). CHARMM36, Gromacs 4.6.3. 2014.
<p>MD simulation trajectories files, for fully hydrated POPC + CHOLESTEROL bilayer. The CHARMM36 force field was used with Gromacs 4.6.3. Conditions: T=298K and different cholesterol concentrations described in the name of each file. 170 ns each trajectory, last 100 ns analyzed.</p> <p> </p>
Development of a HPLC Method for Improved Detection and Analysis in Glycerol Electrooxidation Studies
<p># Dataset of "Development of a HPLC Method for Improved Detection and Analysis in Glycerol Electrooxidation Studies"</p> <p>---</p> <p>## GENERAL INFORMATION<br>----------------------</p> <p>1. Dataset title: "Development of a HPLC Method for Improved Detection and Analysis in Glycerol Electrooxidation Studies"</p> <p>2. Authorship: <br> Name: Eva Ng <br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> ORCID: 0009-0003-4184-5579</p> <p> Name: Camilo A. Mesa<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> ORCID: 0000-0002-8450-2563</p> <p> Name: Sixto Giménez<br> Institution: Institute of Advanced Materials (INAM), Universitat Jaume I, 12006 Castelló, Spain<br> Email: <sjulia@uji.es> <br> ORCID: 0000-0002-4522-3174</p> <p>## FILE DESCRIPTION<br>--------------<br>### Figure 1<br>- Fig1a.txt : Chromatogram obtained from the analysis of the analytical standards containing glycerol electrooxidation products previously reported. <br>- Fig1b.txt : Chromatogram obtained from the analysis of the analytical standards containing glycerol electrooxidation products in this work.</p> <p><br>### Figure 2<br>- Fig2a.txt : Referential chromatograms from analytical standards that can be produced during Glycerol Electrooxidation Reaction (GEOR). Reported method.<br>- Fig2b.txt : Referential chromatograms from analytical standards that can be produced during Glycerol Electrooxidation Reaction (GEOR). New developed method.</p> <p><br>### Figure 3<br>- Fig3a.txt : Calibration curve for oxalic acid analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3b.txt : Calibration curve for tartronic acid analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3c.txt : Calibration curve for L-sodium glycerate analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3d.txt : Calibration curve for glycolic acid analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3e.txt : Calibration curve for formic acid analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3f.txt : Calibration curve for dihydroxyacetone analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3g.txt : Calibration curve for glyceraldehyde analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.<br>- Fig3h.txt : Calibration curve for glycerol analytical standard from 0.1 mM to 5 mM and its standard deviation. Each point was measured by triplicate.</p> <p>### Figure 4<br>- Fig4.txt : Glyceraldehyde standard concentrations as a function of different wavelengths. Each measurement was performed by triplicate and it is shown with its standard deviation.</p> <p>### Figure 5<br>- Fig5.txt : Experimental concentrations at different calibration levels for glyceraldehyde and formic acid quantification with their standard deviation. Each measurement was performed by triplicate.</p> <p>### Figure 6<br>-Fig6a.txt : Chromatograms obtained from a potentiostatic measurement performed at 1.62 V vs RHE in a solution containing LiOH 0.1 M and glycerol 50 mM and analytical standards as a reference. <br>-Fig6b.txt : Product distribution represented in terms of Faradaic Efficiency (FE). The percentages above the bars represent the total (FE) while inside the bars, they refer to the different products. </p>
Glycerol dialkyl glycerol tetraethers in the Padul palaeolake record (Sierra Nevada, southern Iberian Peninsula) for the last 36 kyr
<p>This data file contains the total organic carbon (TOC) content and the distribution of isoprenoid and branched glycerol dialkyl glycerol tetraethers (isoGDGTs and brGDGTs, respectively) from the Padul palaeolake record (Padul-15-05 sediment core) covering the last 36-4.7 kyr. BrGDGTs-based indices (MBT'<sub>5ME</sub> and CBT') have been calculated and used for reconstructing paleoenvironmental conditions such as mean annual air temperature (MAAT), mean temperature of Months Above Freezing (MAF) and lake-pH. </p> <p>The identification of the IIIa'' isomer and calculation of the IIIa'' ratio have been used to evaluate the in-situ production in the water column of brGDGTs.</p> <p>The abundance of the isomer of crenarchaeol (%cren') relative to crenarchaeol evaluates the presence of other archaea than aquatic Thaumarchaeota.</p> <p>The composition of the brGDGTs in form of in the Padul palaeolake sedimentary record (triangles). The tetramethylated (Ia-c), pentamethylated (IIa-IIc and IIa'-IIc'), and hexamethylated (IIIa-IIIc and IIIa'-IIIc') brGDGTs are provided in order to compare with data reported from surface sediments of other lakes over the world.</p>
Glycerol suppresses glucose consumption in trypanosomes through metabolic contest
<p>The file contains all the source data presented in the manuscript:</p> <p>Allmann S., M. Wargnies, E. Cahoreau, M. Biran, N. Plazolles, P. Morand, E. Pineda, H. Kulyk-Babier, C. Asencio, O. Villafraz, L. Rivière, E. Tetaud, B. Rotureau, A. Mourier, J.-C. Portais, & F. Bringaud (<strong>2021</strong>) Glycerol suppresses glucose consumption in Trypanosomes through metabolic contest. <strong><em>PLoS</em></strong> <strong><em>Biol</em></strong>.</p>
Equilibrium Molecular Dynamics of aqueous glycerol menisca
<p>This dataset contains the results of Molecular Dynamics simulations of quasi-2D water-glycerol liquid meniscus, confined between silica-like surfaces. The goal of the simulations is to observe and quantify liquid density layering close to solid surfaces.</p> <p>The pattern "Glycerol***" refers to the mass fraction of glycerol ("000": pure water, "100": pure glycerol). Each folder contains configuration files and compressed output molecular trajectories. Post-processing is performed on density maps binned on-the-fly using a customized Gromacs version (<a href="https://github.com/pjohansson/gromacs-flow-field">https://github.com/pjohansson/gromacs-flow-field</a>); frames are placed in a tarball ("wat-gly-*p-eq.tar.gz").</p> <p>The zipped folder 'scripts.zip' contains a self-contained library of functions to read density maps and a Jupyter notebook with an example of density reading and plotting.</p> <p>Simulations are performed with Gromacs. We refer to the code documentation for further information (<a href="https://manual.gromacs.org/">https://manual.gromacs.org/</a>).</p>
Dataset for the publication: Bimetallic PtCu/C Catalysts for Glycerol Assisted Hydrogen Evolution in Acidic Media
<p>The dataset covers the research data of the publication (<a href="https://doi.org/10.1002/celc.202201114">https://doi.org/10.1002/celc.202201114</a>) with the title "Bimetallic PtCu/C Catalysts for Glycerol Assisted Hydrogen Evolution in Acidic Media". The provided data comprehend the measured current density, CVs, HPLC data, TEM analyses, powder X-ray diffraction patterns as well as a python script including data analysis and plotting.</p>
A Study of the Safety, Efficacy and Pharmacokinetics of Glycerol Phenylbutyrate in Pediatric Subjects Under 2 Years of Age With Urea Cycle Disorders
ClinicalTrials.gov study NCT02246218. IPD Sharing: YES. Countries: 2. Publications: 2.
Effect of glycerol trilevulinate plasticizer on thermal and mechanical properties of PHB, PHBV, PLA, PVC and PCL polymers
Open the record for dataset details and reuse information.
Video of glycerol droplet on twisted fibres
<p>Chapter 4 : Droplets on twisted cylindrical fibers. Figure 4.1.</p> <p>Three experimental videos of a yellow-dyed glycerol droplet descending along a bundle of two twisted fibers. From left to right the number of fiber twists increases, n = 40, n = 80 and n = 120. The volume of the droplet is 5 µl and one fiber is d = 0.25 mm.</p> <p>Real time video.</p>
Data for "Establishing a bacterial platform for production of aromatic esters from glycerol"
<p>This repository contains related protein structures, tunnel analyses, docking simulations, ASMD simulations, MD simulations, Caver Dock analyses and the video showing dynamic analysis the tunnels in Car mentioned in our manuscript, 'Establishing a bacterial platform for production of aromatic esters from glycerol'.</p>
Data from: "Glycerol-blended chitosan membranes with directional micro-grooves and reduced stiffness improve Schwann cell wound healing"
<h3>ABSTRACT</h3> <p>Regenerative medicine is continuously looking for new natural biocompatible and possibly biodegradable materials, but also mechanically compliant. Chitosan is emerging as a promising FDA-approved biopolymer for tissue engineering, however, its exploitation in regenerative devices is limited by its brittleness and can be further improved, for example, by blending it with other materials or by tuning its superficial microstructure. Here, we developed membranes made of chitosan and glycerol, by solvent casting and micropatterned them with directional geometries with different levels of axial symmetry. These membranes were characterized by light microscopy and atomic force microscopy (AFM), thermal, mechanical, and degradation assays, and also tested in vitro as scaffolds with Schwann cells. The glycerol-blended chitosan membranes are optimized in terms of mechanical properties, and present a physiological-grade Young's modulus (≈ 0.7 MPa). The directional topographies are effective in directing cell polarization and migration and in particular are highly performant substrates for collective cell migration. Here, we demonstrate that a combination of a soft compliant biomaterial and topographical micropatterning can improve the integration of these scaffolds with Schwann cells, which is a fundamental step in the peripheral nerve regeneration process.</p>
Perovskite modified catalysts with improved coke resistance for steam reforming of glycerol to renewable hydrogen fuel
<p>Catalytic steam reforming of renewable<span> feedstock to renewable energy or chemicals always goes with intense coking activities that produce carbonaceous products leading to low performance and eventual catalyst deactivation. A supported</span> metal catalyst such as Ni/Al<sub>2</sub>O<sub>3</sub> is known to catalyse gasification and decomposition of biomass feedstock largely for renewable fuel production with promising results. Catalyst deactivation from high carbon deposition, agglomeration, and phase transformations resulting in rapid deactivation are some of the issues identified with the use of the catalyst. In this work, improvement on the coke resistance and catalytic properties of the Ni/Al<sub>2</sub>O<sub>3</sub> catalyst is sought via the use of a thermally stable and coke-resistant perovskite La<sub>0.75</sub>Sr<sub>0.25</sub>Cr<sub>0.5</sub>Mn<sub>0.5</sub>O<sub>3-δ</sub> (LSCM) as catalyst promoter/modifier and involving Zirconia-doped Ceria (Ce-Zr) as alternative support in steam reforming of pure and by-product glycerol. The stabilizing influence of the LSCM on the Ni catalyst has improved stability against agents of deactivation with a significant improvement of catalytic activity of Ni/Al<sub>2</sub>O<sub>3</sub> in H<sub>2</sub> production and robust suppression of carbon deposition. Particularly, the synergy between the LSCM promoter and alternative Ce<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>2</sub> support enhanced the basic and redox properties known for Ce<sub>0.75</sub>Zr<sub>0.25</sub>O<sub>2</sub> support in contrast to the weak acid centres in the γ-Al<sub>2</sub>O<sub>3</sub> support which further improved nickel stability, catalyst-support interaction with a resultant high catalytic activity, and robust coke suppression as a result of enhanced oxygen mobility. There is a correlation between the product distribution, nature of coke deposited, and reforming temperature, as well as the type of support and structural modification. Hence, the integration of a robust perovskite material as a catalyst promoter and choice of support could be tailored in the design and development of robust catalyst systems to improve the performance of supported metal catalysts particularly the suppression of carbon deposition for hydrocarbon and biomass conversion to renewable fuel or chemicals.</p>
Surface tension coefficient of acqueous glycerol from Molecular Dynamics simulations
<p>The dataset contains the configuration files and the results of molecular simulations of aqueous glycerol liquid slabs. The aim of the simulations is to determine the surface tension of the interface between aqueous glycerol and its vapour. Simulations are performed with Gromacs 2021. The water model is SPC/E, while the force field for Glycerol is extrapolated from OPLS-AA according to the work by Jahn et al. (<a href="https://doi.org/10.1021/jp5059098">doi.org/10.1021/jp5059098</a>). Surface tension is computed using Gromacs analysis tool by running</p> <pre><code>gmx energy -f ener.edr</code></pre> <p>and selecting the #Surf*SurfTen term, which returns the surface tension (bar*nm) times the number of surfaces (2, due to the system's periodicity). The surface tension is computed from the difference between interface-perpendicular and interface-parallel components of the pressure tensor (see Gromacs documentation or Frenkel and Smit <em>Understanding Molecular Simulations </em>second edition p.472).</p> <p>The nomenclature of the zip files indicates the mass fraction of glycerol, ranging from 0% (Glycerol000) to 100% (Glycerol100).</p>
Molecular Dynamics simulations of acqueous glycerol spreading on a silica-like surface
<p>This dataset contains the results of Molecular Dynamics simulations of quasi-2D water-glycerol liquid droplets, spreading on silica-like surfaces. The goal of the simulations is to quantify the contact line friction coefficient by regressing over the dynamic contact angle and the contact line speed.</p> <p>The pattern "Glycerol***" refers to the mass fraction of glycerol ("000": pure water, "100": pure glycerol). Each folder contains configuration files and compressed output molecular trajectories. The contact angle and the contact line speed are computed from density maps binned on-the-fly using a customized Gromacs version (<a href="https://github.com/pjohansson/gromacs-flow-field">https://github.com/pjohansson/gromacs-flow-field</a>); frames are placed in a tarball ("spread-*p-r1.tar.gz").</p> <p>The zipped folder 'scripts.zip' contains a self-contained library of functions to read density maps and a Jupyter notebook with an example of density reading and plotting.</p> <p>Simulations are performed with Gromacs. We refer to the code documentation for further information (<a href="https://manual.gromacs.org/">https://manual.gromacs.org/</a>).</p>
Glycerol-Phenylbutyrate Treatment in Children With MCT Mutation (Allan-Herndon- Dudley Syndrome)
ClinicalTrials.gov study NCT05019417. IPD Sharing: Not stated. Countries: 1. Publications: 0.
EndoscoPic Submucosal dIssection Using geL Versus glycerOl for Submucosal iNjection
ClinicalTrials.gov study NCT04977401. IPD Sharing: NO. Countries: 3. Publications: 13.
Efficacy of Glycerol, Two Topical Steroids, and a Topical Immune Modulator Against Skin Irritation
ClinicalTrials.gov study NCT00779792. IPD Sharing: Not stated. Countries: 1. Publications: 2.
Efficacy and Safety of the Treatment of Pyruvate Dehydrogenase Deficiency Patients With Glycerol Phenylbutyrate (RAVICTI)
ClinicalTrials.gov study NCT06887777. IPD Sharing: NO. Countries: 1. Publications: 7.
Effect of Glycerol-Electrolyte Beverages on Fluid Balance in Healthy Euhydrated Men and Women at Rest
ClinicalTrials.gov study NCT06185595. IPD Sharing: NO. Countries: 1. Publications: 1.
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