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10 results for “Acrolein”
Embedding potentials of aqueous acrolein
<p>M0P2 and M2P2 embedding potentials for polarizable density embedding and polarizable embedding calculations based on rigid body MD trajectories of aqueous acrolein. Only solvent molecules within the radius of 12 Å from the solute were considered.</p> <p>The potentials were calculated with the B3LYP/aug-cc-pVDZ method in the Molcas 8.2 program using the LoProp approach. Before the local property calculations the basis set has been recontracted to atomic natural orbital form.</p> <p>The MD simulation on acrolein was reported in http://dx.doi.org/10.1063/1.2918537.</p>
Acrolein solution and gas phase configurations and OpenMM inputs
<p>Dataset for acrolein solution phase and gas phase spectrum calculations with the ESPF-DRF method. Included in the dataset are:</p> <ul> <li>OpenMM input files for generating configurations together with the trajectory file.</li> <li>The extracted configurations for gas and aqueous solution simulations.</li> <li>QM/MM ESPF-DRF data and input files for PyESPF + PySCF for several different water models.</li> </ul>
Spermine oxidase promotes Helicobacter pylori-mediated gastric carcinogenesis through acrolein production
GEO Series GSE266944. Mus musculus. 20 samples. Type: Expression profiling by high throughput sequencing.
Next Generation Sequencing Facilitates Quantitative Analysis of Wildtype, akr1a1a-/- and Wildtype with Acrolein Treatment Zebrafish Larvae Transcriptomes
GEO Series GSE168786. Danio rerio. 18 samples. Type: Expression profiling by high throughput sequencing.
Acrolein-mediated changes in HUVEC miRNA
GEO Series GSE56782. Homo sapiens. 8 samples. Type: Non-coding RNA profiling by array.
8-oxoG RNA IP data set 1: Air pollution mixture derived from the reaction of 790 ppb acrolein, 670 ppb methacrolein, and 4 ppm O3 for 1.5 h
GEO Series GSE123933. Homo sapiens. 10 samples. Type: Expression profiling by high throughput sequencing; Other.
Impaired detoxification of Acrolein interrupted ocular vascular integrity and kidney structure in akr7a3-/- zebrafish via enhancing Arachidonic acid/leukotriene metabolism
GEO Series GSE288313. Danio rerio. 12 samples. Type: Expression profiling by high throughput sequencing.
Acrolein-induced transcriptomic alterations in male Wistar-Kyoto rats
GEO Series GSE247698. Rattus norvegicus. 92 samples. Type: Expression profiling by high throughput sequencing.
8-oxoG RNA IP data set 2: Air pollution mixture derived from the reaction of 100 ppb acrolein, 97 ppb methacrolein, 44 ppb alpha-pinene and 100 ppb O3 for 1.5 h
GEO Series GSE137017. Homo sapiens. 8 samples. Type: Expression profiling by high throughput sequencing; Other.
The accumulation of methylglyoxal and acrolein leads to arginine depletion causing hyperglycemia and renal abnormalities
GEO Series GSE316100. Danio rerio. 23 samples. Type: Expression profiling by high throughput sequencing.
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OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.