The isolation of anthocyanin monomers from blueberry pomace and their radical-scavenging mechanisms in DFT study.

This study explored the isolation of anthocyanin monomers using a medium- and high-pressure separation technique as a means to increase the added value of a by-product of the blueberry juice industry. Six anthocyanin monomers were isolated with a purity of 95% and identified as mono-galactoside, glucoside, and isomers of delphinidin, malvidin, and even malvidin-3-O-arabinoside, malvidin-3-(6″-acetyl)-O-glucoside by LC-MS and H NMR. Following the conformation search, the computer calculation manifested the active sites of six anthocyanins (C-OH) and their stabilities based on the structural and energy parameters.