Reactive Molecular Simulation of the Damage Mitigation Efficacy of POSS‑, Graphene‑, and Carbon Nanotube-Loaded Polyimide Coatings Exposed to Atomic Oxygen Bombardment

Reactive molecular dynamics simulation was employed to compare the damage mitigation efficacy of pristine and polyimide (PI)-grafted polyoctahedral silsesquioxane (POSS), graphene (Gr), and carbon nanotubes (CNTs) in a PI matrix exposed to atomic oxygen (AO) bombardment. The concentration of POSS and the orientation of Gr and CNT nanoparticles were further investigated. Overall, the mass loss, erosion yield, surface damage, AO penetration depth, and temperature evolution are lower for the PI systems with randomly oriented CNTs and Gr or PI-grafted POSS compared to those of the pristine POSS or aligned CNT and Gr systems at the same nanoparticle concentration. On the basis of experimental early degradation data (before the onset of nanoparticle damage), the amount of exposed PI, which has the highest erosion yield of all material components, on the material surface is the most important parameter affecting the erosion yield of the hybrid material. Our data indicate that the PI systems with randomly oriented Gr and CNT nanoparticles have the lowest amount of exposed PI on the material surface; therefore, a lower erosion yield is obtained for these systems compared to that of the PI systems with aligned Gr and CNT nanoparticles. However, the PI/grafted-POSS system has a significantly lower erosion yield than that of the PI systems with aligned Gr and CNT nanoparticles, again due to a lower amount of exposed PI on the surface. When comparing the PI systems loaded with PI-grafted POSS versus pristine POSS at low and high nanoparticle concentrations, our data indicate that grafting the POSS and increasing the POSS concentration lower the erosion yield by a factor of about 4 and 1.5, respectively. The former is attributed to a better dispersion of PI-grafted POSS versus that of the pristine POSS in the PI matrix, as determined by the radial distribution function

Additional file 1 of Gut microbiota-related metabolite alpha-linolenic acid mitigates intestinal inflammation induced by oral infection with Toxoplasma gondii

Additional file 1: Fig. S1. Brain cysts of ICR mice infected with the corresponding cysts. **P < 0.01, Student’s t test. The data are presented as the means ± SEM

Table1.docx

<p>Fishes are, by far, the most diverse group of vertebrates. Their classification relies heavily on morphology. In practice, the correct morphological identification of species often depends on personal experience because many species vary in their body shape, color and other external characters. Thus, the identification of a species may be prone to errors. Due to the rapid development of molecular biology, the number of sequences of fishes deposited in GenBank has grown explosively. These published data likely contain errors owing to invalid or incorrectly identified species. The erroneous data can lead to downstream problems. Thus, it is critical that such errors get identified and corrected. A strategy based on DNA barcoding can detect potentially erroneous data, especially when intraspecific K2P variation exceeds interspecific K2P divergence. Analyses of the most used DNA marker for fishes (mitochondrial Cytb) discovers that intraspecific differences of fishes are generally less than 1%, while interspecific differences are generally higher than 10%. Based on this ruler, our analyses identify 1,303 potential problematic Cytb sequences of fishes in GenBank and point to taxonomic problems, errors in identification, genetic introgression and other concerns. Care must be taken to avoid the perpetuation of errors when using these available data.</p

Comparisons of several EC assignment methods by considering their method basis, if they are automatic for a whole reaction, and if there is a web server available.

<p>Comparisons of several EC assignment methods by considering their method basis, if they are automatic for a whole reaction, and if there is a web server available.</p

Incorrect prediction KEGG reaction examples on different substrate specificities.

<p>Incorrect prediction KEGG reaction examples on different substrate specificities.</p

Correct and incorrect results made over different reaction distances.

<p>Correct and incorrect results made over different reaction distances.</p

Cross-validation accuracy performance over different EC levels.

<p>With a selected fingerprint length at 3, the number of reactions and the cross-validation accuracies will vary from EC1 to EC6.</p

Incorrect prediction KEGG reaction examples on inter-molecular and intra-molecular transformations.

<p>Incorrect prediction KEGG reaction examples on inter-molecular and intra-molecular transformations.</p

Acetic acid activates the AMP-activated protein kinase signaling pathway to regulate lipid metabolism in bovine hepatocytes.

<p>Acetic acid is metabolized to acetyl-CoA with consumption of ATP in bovine hepatocytes, resulting in a significant elevation of the AMP/ATP ratio and the phosphorylation and activation of AMPKα. Activated AMPKα increases the expression and transcriptional activity of PPARα, thereby increasing the expression of lipolytic genes, including ACO, CPT1, CPT2, and L-FABP. AMPKα activation inhibits the expression and transcriptional activity of SREBP-1c and ChREBP, thereby reducing the expression of lipogenic genes, including ACC1, FAS, and SCD-1. In addition, activated AMPKα directly phosphorylates and inhibits ACC1. Consequently, acetic acid increases lipolysis and reduces lipid synthesis in bovine hepatocytes.</p

Crassula barbata

<p>Cross-validation accuracies of reaction difference fingerprints with different lengths.</p