Theoretical and Experimental Insights into the Possible Interfacial Interactions between β-Glucan and Fat Molecules in Aqueous Media.

ABSTRACT: Excessive body fat and high cholesterol are one of the leading reasons for triggering cardiovascular risk factors, obesity, and type 2 diabetes. Beta-glucan (BG)-based dietary fibers are found to be effective for lowering fat digestion in the gastrointestinal tract. However, the fat capturing mechanism of BG in aqueous medium is still elusive. In this report, we studied the dietary effect of barley-extracted BG on docosahexaenoic acid (DHA, a model fat molecule) uptake and the impact of the aqueous medium on their interactions using computational modeling and experimental parameters. The possible microscale and macroscale molecular interactions between BG and DHA in an aqueous medium were analyzed through density functional theory (DFT), Monte-Carlo (MC), and molecular dynamics (MD) simula

SUBMITTER: Islam T 

PROVIDER: S-EPMC9998241 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature