Studies on the effects of preheated β-lactoglobulin on the physicochemical properties of theaflavin-3,3′-digallate and the interaction mechanism

Teaflavin-3,3'-digallate (TFDG) is a sensory and health benefit substance in tea beverage, but is usually eliminated during processing due to the formation of tea cream by binding with proteins. In order to retain the TFDG, β-lactoglobulin (β-LG) was used to bind with TFDG and avoid the formation of tea cream. The results of physicochemical tests and entropy weight-TOPSIS showed that the best β-LG-TFDG dispersion (TFDG concentration: 0.468 g/L) had low particle size (37.29 nm), high electrical potential (-32.43 mv), high transmittance (88.52%), and strong antioxidant activity (84.82%), when the preheated temperature of β-LG was 85 °C and the molar ratio was 1:2. The multispectral experiment results showed that TFDG interacted with β-LG via static quenching, and preheated treatment of β-LG enhanced the interaction between β-LG and TFDG. CD spectroscopy suggested that TFDG induced slight changes in the secondary structure of β-LG. The results of molecular dynamics showed that preheated treatment leading in the changes in tertiary structure of β-LG, opening of key ring region of β-LG and exposing the active cavities of β-LG, which enhances the intermolecular forces between TFDG and β-LG. What's more, molecular docking was proved that preheated treatment of β-LG enhances the hydrophobic interactions and hydrogen bonds, which dominated the interaction between TFDG and β-LG. The results proposed in this research could further reducing tea cream formation and improving the healthy and sensory performances of tea beverage by using preheated β-LG without preserving both the tea pigments and the active nutrients.