Boron-mediated aldol reaction of carboxylic esters

Article Abstract:

The unique features of the boron-mediated aldol reaction of carboxylic esters, which include facile isomerization of E-enolate to Z-enolate and formation of a doubly borylated enolate upon enolization of acetate esters are presented. A novel double aldol reaction of acetate esters was discovered, and a plausible mechanism of the double aldol reaction is proposed.

Boron & Compounds, Carboxylic acids, Chemical properties, Boron compounds, Fructosediphosphate aldolase, Aldolases

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Understanding macroscopic diffusion of adsorbed molecules in crystalline nanoporous materials via atomistic simulations

Article Abstract:

Applications of molecular dynamics (MD) were described to diffusion in nanoporous materials with a particular focus on macroscopic diffusion. It was found that these methods made useful contributions to developing mixing theories for predicting multicomponent diffusion from single-component data and to screening new classes of material for practical applications.

Zeolites, Analysis, Nanotechnology, Molecular dynamics, Diffusion, Diffusion (Physics), Properties, Structure

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