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20 results for “Acetaldehyde”
Spectroscopic data for the compounds and reactions published in "Vinyl-pyrazole as a biomimetic acetaldehyde surrogate"
<p>Here, the uploaded data are associated with the manuscript "Vinyl-pyrazole as a biomimetic acetaldehyde surrogate" published in Chem. Comm. under the following DOI: https://doi.org/10.1039/D4CC01305K</p> <p>The .dpt files represent IR spectra of the compounds published in the manuscript.</p> <p>The .scv files represent NMR spectra of the compounds published in the manuscript.</p> <p>HPLC-MS data is presented as .pdf files.</p> <p>The labeling of the compounds and reactions follows the one in the published manuscript.</p>
Dataset related to article "Acetaldehyde in polyethylene terephthalate (PET) bottledwater: assessment and mitigation of health risk for consumers"
<p><em>The file contains the raw data related to the manuscript: "Acetaldehyde in Polyethylene Terephthalate (PET) Bottled Water: Assessment and Mitigation of Health Risk for Consumers"</em></p> <p><strong>Abstract</strong>: This study was designed to investigate the levels of acetaldehyde residues in polyethylene terephthalate bottled water and its significance in terms of consumer health. We analyzed 104 samples collected throughout Italy, so as to be representative of the national market. Parameters such as CO<sub>2</sub> level, shelf life, weight of the empty bottle and distance from the production sites to the point of sale were also collected. Although the levels of acetaldehyde complied with the limits established by Italian legislation, they varied widely, with concentrations ranging from 0.41 to 76.2 µg/L. An assessment of safety for human health, using the margin of exposure approach, showed that the amount of acetaldehyde in bottled water is unlikely to be of any safety concern for human health. The acetaldehyde residues were mainly due to CO<sub>2</sub> levels which influence solubility of acetaldehyde in water. They are also related to the size of the bottle and the distance from the store, but not to the shelf life, at least for 40 days. The findings suggest some good practices for a better product from the point of view of public health, like polymer quality and limitation of transport distances.</p> <p><strong>Funding</strong>: This research was funded by Mineracqua.</p> <p> </p>
Transient acetaldehyde production by SO2 producing S. cerevisiae promotes survival of Oenococcus oeni during co-fermentation
<p>Stuck or sluggish malolactic fermentation (MLF) can be problematic in limiting wine conditions, particularly white and sparkling base musts / wines. In these cases, knowledge of yeast-bacteria strain compatibility and the amount of sulfur dioxide (SO<sub>2</sub>) a yeast strain produces are important considerations for successful MLF.</p> <p>Here, the effects of yeast-derived SO<sub>2</sub> production on <em>O. oeni</em> survival was investigated in laboratory- and pilot-scale co-fermentations in Chardonnay. Further to the <em>S</em>. <em>cerevisiae</em> strain affecting <em>O. oeni</em> survival and MLF, we show that SO<sub>2</sub> production by yeast (to approximately 65 mg/L) can be uncoupled from <em>O. oeni </em>survival in early stages of co-fermentation. Bacterial survival with certain SO<sub>2</sub>-producing yeast strains was correlated with early, transient formation of a high concentration of acetaldehyde. Upon co-inoculation, an extremely low concentration range (approximately 1–44 µg/L) of calculated molecular SO<sub>2</sub> is indicated to regulate <em>O</em>. <em>oeni</em> survival. <span>Possible strain-dependent sensitivity of <em>O. oeni</em> to bound SO<sub>2</sub> may also occur, although the extent and nature of such inhibition by the SO<sub>2</sub> adduct itself during co-fermentation remains unclear. </span></p> <p><span>Choice of co-inoculation yeast strain also influenced wine diacetyl concentration, </span>which was only detected in wines co-inoculated with high-SO<sub>2</sub>-producing <em>S. cerevisiae </em>strains. <span>These wines also had comparatively high citation frequency for a buttery sensory attribute. </span>Both the SO<sub>2</sub> and acetaldehyde production capacity of yeasts are therefore seen as meaningful co-inoculation selection criteria. <span>The range of yeast strains suitable for MLF induction by co-inoculation could be widened to include SO<sub>2</sub>-producing strains which transiently produce an early, high concentration of acetaldehyde. Reliance on total / bound SO<sub>2</sub> concentration may also potentially provide an inaccurate measure of SO<sub>2</sub> toxicity towards <em>O. oeni</em>, particularly for co-inoculation, and the impact of low, equilibrium concentrations of molecular SO<sub>2</sub> should also be considered. </span></p>
Quantum mechanical modeling of the on-grain formation of acetaldehyde on H2O:CO dirty ice surfaces
<p>This Supporting Material contains:</p> <ul> <li>Cartesian coordinates of HF-3c optimized minima and transition state for the reaction in gas phase, in .xyz format, computed using <a href="https://gaussian.com/">Gaussian16</a> code;</li> <li>Fractional coordinates of HF-3c optimized minima and trasition state structures for crystalline periodic models in <a href="https://www.moldraw.unito.it/_sgg/m1m1s43_1.htm">.mol</a> format, editable with <a href="http://www.moldraw.unito.it/">MOLDRAW</a>, computed using <a href="http://www.crystal.unito.it/">CRYSTAL17</a> computer code.</li> </ul>
Phase IIa Study of Fomepizole for Acetaldehyde Toxicity After Ethanol Exposure in Subjects With Altered Ethanol Metabolism
ClinicalTrials.gov study NCT00661141. IPD Sharing: Not stated. Countries: 1. Publications: 4.
Transient acetaldehyde production by SO2 producing S. cerevisiae promotes survival of Oenococcus oeni during co-fermentation
Open the record for dataset details and reuse information.
Acetaldehyde Dataset
<p>This data set was used to examine isomerization (to vinylalcohol, VA)<br> and decomposition reactions (to either CO+CH4 or H2+H2CCO) of<br> acetaldehyde (AA) relevant to atmospheric processes. Therefor, the data<br> is used to train a neural network which serves as a fully dimensional,<br> reactive potential energy surface and is used to run molecular dynamics<br> simulations.</p> <p>The data set contains different geometries for the mentioned molecules<br> and complexes as well as for some substructures (Amons [1]).</p> <p>In total the data set contains 432'399 geometries with reference<br> energies, forces and dipole moments calculated at the MP2/aug-cc-pVTZ<br> level of theory calculated using the MOLPRO [2].</p> <p>For more details, see https://arxiv.org/abs/2003.08171</p> <p> </p> <p>[1] Huang, B.; von Lilienfeld, O.A., arXiv:1707.04146</p> <p>[2] Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; et al.<br> https://www.molpro.net</p>
Acetaldehyde binding energies: a coupled experimental and theoretical study
<p>CRYSTAL17 output files of the atomic structures used in the related publication</p>
Effect of L-tryptophan, tryptamine and indole-3 acetaldehyde on gene expression in Fusarium graminearum
GEO Series GSE100318. Fusarium graminearum. 18 samples. Type: Expression profiling by array.
Gene expression analysis of MCF12A human breast cultures exposed to ethanol or acetaldehyde
GEO Series GSE76953. Homo sapiens. 12 samples. Type: Expression profiling by array; Non-coding RNA profiling by array.
Accumulation of Acetaldehyde in aldh2.1-/- Zebrafish Causes Increased Retinal Angiogenesis and Impaired Glucose Homeostasis
GEO Series GSE189416. Danio rerio. 10 samples. Type: Expression profiling by high throughput sequencing.
L-cysteine Prevents Stomach Exposure to Carcinogenic Acetaldehyde
ClinicalTrials.gov study NCT02524262. IPD Sharing: YES. Countries: 1. Publications: 0.
N-acetylcysteine Reduces Acetaldehyde Levels in Binge Alcohol Drinking
ClinicalTrials.gov study NCT05911282. IPD Sharing: NO. Countries: 1. Publications: 0.
Role of Acetaldehyde in the Development of Oral Cancer
ClinicalTrials.gov study NCT05973656. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Gene expression analysis of MCF12A human breast cultures exposed to ethanol or acetaldehyde [miRNA]
GEO Series GSE76952. Homo sapiens. 3 samples. Type: Non-coding RNA profiling by array.
Gene expression analysis of MCF12A human breast cultures exposed to ethanol or acetaldehyde [1 week]
GEO Series GSE76950. Homo sapiens. 4 samples. Type: Expression profiling by array.
Indole-3-Acetaldehyde Inhibits Escherichia coli O157:H7 Biofilm Formation by Reducing Curli Formation
GEO Series GSE30424. Escherichia coli. 2 samples. Type: Expression profiling by array.
Gene expression analysis of MCF12A human breast cultures exposed to ethanol or acetaldehyde [4 weeks]
GEO Series GSE76951. Homo sapiens. 5 samples. Type: Expression profiling by array.
L. lactis cultures: control vs acetaldehyde-induced
GEO Series GSE147696. Lactococcus lactis; Lactococcus cremoris. 6 samples. Type: Expression profiling by array.
Acetaldehyde Induced Cell Damage and Genotoxic Effects by Modulating PI3K/AKT and MAPK/ERK Pathways in Human Lung Epithelial Cells
GEO Series GSE289892. Homo sapiens. 17 samples. Type: Expression profiling by high throughput sequencing.
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International Brain Laboratory public data
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OpenNeuro
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