Molecular dynamics simulations and thermodynamic modeling of the self-assembly of the triterpenoids asiatic acid and madecassic acid in aqueous solution

Article Abstract:

The self-assembly behavior of the triterpenoids asiatic acid (AA) and madecassic acid (MA) are examined in aqueous solution by using atomistic-level molecular dynamics (MD) simulations. The results obtained for AA and MA has shown that, by combining computer simulation inputs with molecular-thermodynamic models of surfactant self-assembly, accurate estimates of surfactant critical micelle concentrations (CMCs) are obtained with a fraction of the computational expense.

Analysis, Molecular dynamics, Micelles, Thermodynamics, Structure

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Ultrafast proton transfer of pyranine in a supramolecular assembly: PEO-PPO-PEO triblock copolymer and CTAC

Article Abstract:

Femtosecond emission spectroscopy is used for studying excited-state proton transfer (ESPT) of pyranine (8-hydroxypyrene-1,3,6-trisulfonate, HPTA) in a polymer-surfactant aggregate. The polymer-surfactant aggregate is a supramolecular assembly that has a triblock copolymer [(PEO).sub.20]-[(PPO).sub.70]-[(PEO).sub.20] (P123) and a cationic surfactant, cetyltrimethylammonium chloride (CTAC).

Technology application, Spectrum analysis, Spectroscopy, Copolymers

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Characteristic motion of a camphanic acid disk on water depending on the concentration of Triton X-100

Article Abstract:

A study to investigate the characteristics of the self-motion of camphanic acid disk on water depending on the concentration of a neutral surfactant, Triton X-100 was conducted. The results revealed that the surface tension of the aqueous phase changed periodically, synchronous with the contact angle around the camphanic acid disk.

Water, Camphor

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