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Published on: February 4, 2021
Ice recrystallization inhibition activity of alkali-treated pectin with varying esterification: Structural,
Xiang Zhang1, Jianyong Yi2, Kaiyue Liu2
1Institute of Food Science and Technology, Chinese Academy of Agricultural Sciences (CAAS), Key Laboratory of Agricultural Product Processing and Storage, Ministry of Agriculture and Rural Affairs, Beijing, 100193, China; College of Food Science, Shenyang Agricultural University, Shenyang, 110866, China.
Abstract:
A systematic investigation of the ice recrystallization inhibition (IRI) activity of alkali-treated pectins with different degrees of esterification (DE) was conducted using experimental characterization and molecular dynamics (MD) simulations. Pectin with a DE of 10% exhibited the strongest IRI activity, with a mean largest grain size of 20.77 μm, significantly lower than DE 54% (57.01 μm) and DE 4% (45.76 μm). DE was a regulatory parameter modulating molecular weight, structural composition, and physicochemical features of pectin. The optimal performance arose from a favorable pectin structure that perturbed the hydrogen-bonding network of water and retarded ice crystal growth. MD simulations (300 ns) revealed that DE 10% pectin had the fewest water-water hydrogen bonds (15,665) and the most pectin-water hydrogen bonds (84), conferring superior inhibition compared with highly esterified and fully de-esterified pectins. Energy analysis showed that this phenomenon originated from a synergistic balance between hydrophilic and hydrophobic interactions. These findings provide mechanistic insights into the ice recrystallization regulation of alkali-modified pectin and offer guidance for the rational design of pectin-based cryoprotectants.
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