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18 results for “TiO2 nanoparticles”
Atomistic trajectories from ab-initio molecular dynamics simulations of wetted TiO2 nanoparticle
<p>This repository contains atomistic trajectories from ab-initio molecular dynamics simulations of water and TiO2 nanoparticle described in the paper:</p> <p>E. G. Brandt, L. Agosta and A.P.Lyubartsev, " Reactive wetting properties of TiO2 nanoparticles predicted by ab initio molecular dynamics simulations", Nanoscale, 8, 13385-13398 (2016) DOI: 10.1039/c6nr02791a</p> <p>The trajectories are saved in the .xtc format, and initial structures with specification of atom types are given in the .pdb format.</p> <p>The name of each file contains brief information about the simulated system:</p> <p>TiO2 : composition of the nanoparticle<br> n24 : number of TiO2 units in the nanoparticle<br> anatase/brookite/rutile : type of crystall structure<br> - a number 0 - 30 : number of water molecules in the simulation<br> 2fs - the time step</p> <p>For more details, see the referred paper</p>
The influence of the properties of inorganic solvents on the hydrodynamic diameter of TiO2 nanoparticles
<p>In this model the property of a nanomaterial is predicted not on the basis of descriptors characterizing the chemical composition of nanoparticles or physical properties of the initial nanoforms, but on the basis of descriptors describing the dispersion medium (pH, IP, D3_HeteroNonMetals) and the property of nanoparticles dependent on it (Potential ζ). </p> <p>The observed small size of the hydrodynamic diameter of TiO2 in solvents of strong acids and bases compared to other solvents may indicate stronger repulsive interactions between nanoparticles than in the case of other systems. Moreover, in the case of salt solutions, the observed large size of the hydrodynamic diameter of TiO2 may be the result of a thicker electrical layer surrounding the particles in the dispersion system.</p>
Figure 3 in Evaluation on reducing toxicity of fluoxastrobine with doped TiO2 nanoparticles
Figure 3. Mortality rates (%) determined in X. laevis embryos and tadpoles exposed to degradation products of FLX (5 mg L-1).
Figure 2 in Evaluation on reducing toxicity of fluoxastrobine with doped TiO2 nanoparticles
Figure 2. (A) LC-MS/MS spectra of 5 mg L-1 FLX with Mn–TiO in 0.15% wt v-1 catalyst in sol before irradiation and (B) after 15 h of 2 UV-C irradiation. (C) LC-MS/MS spectra of 5 mg L-1 FLX with S–TiO in 0.1%wt v-1 catalyst in sol before irradiation and (D) after 10 2 h of UV-C irradiation.
Dataset for Fast Li-ion Storage and Dynamics in TiO2 Nanoparticle Clusters Probed by Smart Scanning Electrochemical Cell Microscopy
<p>This dataset provides the raw data to the manuscript </p> <p><strong>"Fast Li-ion Storage and Dynamics in TiO<sub>2</sub> Nanoparticle Clusters Probed by Smart Scanning Electrochemical Cell Microscopy"</strong> published in Angewandte Chemie International Edition.</p> <p>Specifically, the following measurements are provided:</p> <ul> <li>Powder XRD data for the commercial anatase TiO<sub>2</sub>.</li> <li>Cyclic voltammetry data from SECCM measurements.</li> <li>SEM images of the TiO<sub>2</sub> nanoparticles after SECCM tip landing and electrochemical measurement.</li> </ul>
A bottom-up coarse-grained model for interactions of lipids with TiO2 nanoparticles
<p>Supplemetary information data to the paper:</p> <p>M.Ivanov and A.P.Lyubartsev, "Development of a bottom-up coarse-grained model for interactions of lipids with TiO<br> nanoparticles", J. Comput. Chem.m 2024. Doi: <a href="https://doi.org/10.1002/jcc.27310">10.1002/jcc.27310</a></p>
Figure 1 in Evaluation on reducing toxicity of fluoxastrobine with doped TiO2 nanoparticles
Figure 1. (A) XRD pattern, (B) SEM images of S–TiO2, and (C) SEM-EDX spectrum.
Data of figures from: Berard et al, Effect of Crystalline Phase and Facet Nature on the Adsorption of Phosphate Species onto TiO2 Nanoparticles, Langmuir 2024
Open the record for dataset details and reuse information.
Physico-chemical characterization of sterilized TiO2 D540 nanoparticles by XPS / HAXPES / SEM
<p>Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”.</p> <p>TiO<sub>2</sub> D540 nanoparticles, which are TiO<sub>2 </sub>particles, with a diameter of about 540nm, were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000415, ERM00000457, ERM00000436).</p> <p>The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA.</p> <p>Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started.</p> <p>Equipment:</p> <p>SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer.</p> <p>For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position.</p> <p>Data:</p> <p>For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files.</p> <p>Naming of data:</p> <p>SEM: <em>sample_treatment (n)</em>, with n a consecutive number.</p> <p>XPS / HAXPES: For the .spe and for the corresponding .npl files <em>Pn.m.o.sample_treatment,</em> with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave.</p> <p>The authors thank Sigrid Benemann, who performed the SEM measurements.</p>
Physico-chemical characterization of sterilized TiO2 PVP nanoparticles by XPS / HAXPES / SEM
<p>Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”.</p> <p>TiO2 PVP nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000414, ERM00000456, ERM00000435).</p> <p>The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA.</p> <p>Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started.</p> <p>Equipment:</p> <p>SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer.</p> <p>For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position.</p> <p>Data:</p> <p>For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files.</p> <p>Naming of data:</p> <p>SEM: <em>sample_treatment (n)</em>, with n a consecutive number.</p> <p>XPS / HAXPES: For the .spe and for the corresponding .npl files <em>Pn.m.o.sample_treatment, </em>with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave.</p> <p> </p> <p>The authors thank Sigrid Benemann, who performed the SEM measurements.</p>
Combined effects of ZnO and TiO2 nanoparticles on functional gene expression of Nitrosomonas europaea
GEO Series GSE70121. Nitrosomonas europaea ATCC 19718; Nitrosomonas europaea. 12 samples. Type: Expression profiling by array.
Transcriptional responses of continuously cultured Nitrosomonas europae to chonic TiO2 nanoparticle stress
GEO Series GSE111100. Nitrosomonas europaea ATCC 19718; Nitrosomonas europaea. 9 samples. Type: Expression profiling by array.
TiO2 nanoparticles' library toxicity (UV and non-UV exposure) – High-throughput in vivo transcriptomics reveals mechanisms
GEO Series GSE81694. Enchytraeus crypticus. 48 samples. Type: Expression profiling by array.
Physico-chemical characterization of sterilized TiO2 nanoparticles by XPS / HAXPES / SEM
<p>Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”.</p> <p>TiO<sub>2</sub> nanoparticles were provided by Promethean Particles and treated differently by project partners from the University of Birmingham (EMR identifier in the project: ERM00000413, ERM00000455, ERM00000434).</p> <p>The particles were treated by different sterilization methods (autoclave or microwave) and BSA was or was not added as stabilizer. This finally leads to five different samples: pristine, autoclave, microwave, autoclave with BSA, microwave with BSA.</p> <p>Prior to the measurements, the samples were prepared from the solution as drop cast on Si wafers. First SEM and EDS measurements were performed, followed by XPS and HAXPES measurements on the same samples. Here at first survey spectra were recorded followed by high resolution spectra. For XPS / HAXPES several Si-wafers were mounted together on one platen. The platen was left in the intro chamber of the instrument for several hours before the measurement started.</p> <p>Equipment:</p> <p>SEM images were acquired with a <em>Supra 40 </em>(Zeiss) SEM equipped with a <em>Quantax 400 </em>(Bruker) SDD EDS spectrometer.</p> <p>For X-ray spectroscopy experiments, a combined XPS / HAXPES spectrometer (<em>Quantes </em>from ULVAC-PHI) was used, where XPS is measured at 1486.6 eV (monochromatic Al Kα source) and HAXPES at 5414.9 eV (monochromatic Cr Kα source). Here it is possible to perform the measurements at the exact same position.</p> <p>Data:</p> <p>For SEM, the data are given in .tif format. For XPS / HAXPES the raw data are given as .spe (PHI format) and .npl (VAMAS format) files. The measurement conditions are given in the data files.</p> <p>Naming of data:</p> <p>SEM: <em>sample_treatment (n)</em>, with n a consecutive number.</p> <p>XPS / HAXPES: For the .spe files <em>Pn.m.o.sample_treatment</em> and for the corresponding .npl files: <em>m.npl</em> with Pn: platen-number, m: spectrum number (order of the measurements); o: point-number, of the position on the sample, sample_treatment with "m" for microwave and "a" for autoclave.</p> <p>The authors thank Sigrid Benemann, who performed the SEM measurements.</p>
Effects of TiO2 and Ag nanoparticles on polyhydroxybutyrate biosynthesis by activated sludge bacteria
GEO Series GSE63781. mixed sample; Bacteria; Archaea. 18 samples. Type: Expression profiling by array.
Expression data from mouse liver tissue from SKH:QS mice treated with commercially available sunscreens containing ZnO or TiO2 nanoparticles, or no nanoparticles
GEO Series GSE84818. Mus musculus. 47 samples. Type: Expression profiling by array.
Next generation sequencing to assess prenatal exposure to aerosols of paraquat and TiO2 nanoparticles on the gene expression of the developing brain
GEO Series GSE169579. Mus musculus. 15 samples. Type: Expression profiling by high throughput sequencing.
Expression data from C. elegans treated with anatase TiO2 nanoparticles
GEO Series GSE95603. Caenorhabditis elegans. 2 samples. Type: Expression profiling by array.
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