The interaction mechanism of whey proteins with theaflavin (TF1) in black tea was analyzed using multi-spectroscopy analysis and molecular docking simulations. The influence of TF1 on the structure of bovine serum albumin (BSA), β-lactoglobulin (β-Lg), and α-lactoalbumin (α-La) was examined in this work using the interaction of TF1 with these proteins. Fluorescence and ultraviolet-visible (UV-vis) absorption spectroscopy revealed that TF1 could interact with BSA, β-Lg and α-La through a static quenching mechanism. Furthermore, circular dichroism (CD) experiments revealed that TF1 altered the secondary structure of BSA, β-Lg and α-La. Molecular docking demonstrated that the interaction of TF1 with BSA/β-Lg/α-La was dominated by hydrogen bonding and hydrophobic interaction. The binding energies were −10.1 kcal mol−1, −8.4 kcal mol−1 and −10.4 kcal mol−1, respectively. The results provide a theoretical basis for investigating the mechanism of interaction between tea pigments and protein. Moreover, the findings offered technical support for the future development of functional foods that combine tea active ingredients with milk protein. Future research will focus on the effects of food processing methods and different food systems on the interaction between TF1 and whey protein, as well as the physicochemical stability, functional characteristics, and bioavailability of the complexes in vitro or in vivo.
2 November 2015 in Magnetic Resonance in Chemistry
This paper reports the comparison of determination methods for extra virgin olive oil (EVOO) adulteration with two kinds of oils, refined olive oil (ROO) and soybean oil by 19FNMR, 1H NMR and chemical titration. The determination of adulteration of EVOO with ROO by 19F NMR was comparable to the conventional method. The contents of oleic, linoleic and linolenic acids of different oil samples can be determined by both 1H NMR and GC-MS. The results obtained from the two methods showed little differences. The adulteration of EVOO with soybean oil is detected by 1H NMR, although the limit of detection of the adulteration level is not less than 4.5%. The research demonstrates that 19F NMR can be a fast and convenient method to detect EVOO if it is adulterated with ROO and 1H NMR can be a fast and convenient method to detect EVOO if it is adulterated with seed oils.
A novel antioxidant, butylated caffeic acid (BCA) was rationally designed by adding a tert-butyl group to caffeic acid, which was synthesized at a high yield (36.2%) from 2-methoxy-4-methylphenol by a four-step reaction including Friedel-Crafts alkylation, bromine oxidation, ether bond hydrolysis and Knoevenagel condensation. Its antioxidant capacity was much stronger than common commercial antioxidant tert-butyl hydroquinone (TBHQ) and its mother compound, caffeic acid, in both rancimat and deep frying tests. When investigated via the DPPH method, the antioxidant capacity of BCA was almost equal to TBHQ, but lower than caffeic acid. BCA could be a potentially strong antioxidant, especially for food processing at high temperatures such as deep frying and baking.