Here, using classical molecular dynamics simulations based on fully atomistic models, we develop the equilibrated molecular structure of PVA with collagen and characterize its mechanics. We show that by interacting with a collagen molecule, PVA is equilibrated to a more ordered structure with each ...
The molecular structure of 2-amino-6-(benzylamino)-4-(4-chlorophenyl)-1-methyl-5-nitro-1,4-dihydropyridine-3-carbonitrile (4h) and 2-amino-6-(benzylamino)-1-methyl-5-nitro-4-(p-tolyl)-1,4-dihydropyridine-3-carbonitrile (4k) were confirmed by the single crystal XRD analysis. The ...
The molecular dynamics of PVA/AgnP composites were studied by dielectric spectroscopy (DS) in the 20–300°C temperature range. Improper water elimination leads to misinterpretation of thermal relaxati...
polyvinyl alcohol (PVA), to produce an ultrapermeable TFC nanostructure. This strategy included (1) optimization of a sulfonic acid-loaded crosslinking compound via molecular dynamics simulation with experimental verification, (2) stability
The structure of hydrated poly(aspartic acid) sodium (PAANa) and in blended PAANa, which was blended with poly(vinyl alcohol) (PVA), is characterized by means of high-resolution solid-state23Na NMR. There are two peaks in dried pure PAANa, which are assigned to associated ions (about −...
Here, thorough analysis of polymer structure, composition, physical properties, and degradation data, we predict a hierarchy of features that regulate degradation. As such, the following investigation starts with a simple comparison (Fig. 1) and systematically increases complexity (Figs. 2–3) ...
"The effects of molecular weight (Mw) and concentration (c) on the structure of electrospun PVA have been studied. Experiments have been conducted for Mw values ranging from 9000 g/mol to 124,000 g/mol. The concentration was varied from 5 to 35 wt %. Data were acquired for several ...
Ulman A (1996) Formation and structure of self-assembled monolayers. Chem Rev 96:1533–1554 Article Google Scholar Vickers JA, Caulum MM, Henry CS (2006) Generation of hydrophilic poly(dimethylsiloxane) for high-performance microchip electrophoresis. Anal Chem 78:7446–7452 Article Google Scholar...
Number of hydrolyzable SiOR and length of side chains in SCAs molecules are proposed to be the critical parameters controlling the TC of the composite film. Owing to the desired molecular structure, VTES improved TC of PVA/fBN composite film to 1.636 W/m·K, best among other investigated ...
select article The core structure of a laboratory-made dust devil-like vortex and its condensed matter analogs Research articleAbstract only The core structure of a laboratory-made dust devil-like vortex and its condensed matter analogs Aleš Fajmut, Kaushik Pal, Saša Harkai, Dejvid Čreš...