首页|Characterization of nitrite degradation by polyphenols in sea buckthorn (Hippophae rhamnoides L.) by density function theory calculations
Characterization of nitrite degradation by polyphenols in sea buckthorn (Hippophae rhamnoides L.) by density function theory calculations
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NSTL
Elsevier
The objective of this study was to investigate the nitrite-degrading capacity of polyphenols in sea buckthorn and explore the relationship between structures and degradation capacity with quantum chemistry. The results showed that polyphenols in sea buckthorn had a higher nitrite degrading capacity than other compounds, with the nitrite-degrading rate of 75.9%, the chlorogenic acid, isorhamnetin, luteolin 3'-O-arabinoside, L-epicatechin, isosinensetin, rutin, luteolin 3'-O-beta D glucuronide, catechin, quercetin 3'-O-glucoside, epigallocatechin contents changed significantly in the presence of nitrite. The bonding dissociation energy indicated the Delta E of chlorogenic acid for the 7-OH site was 290.2853 kcal/mol, lower than other phenolic monomers, while Mulliken electron density difference of oxygen and hydrogen in corresponding hydroxyl group was larger than other polyphenols, which were in accordance with the higher nitrite degradation. These results indicated that the nitrite degradation rates were closely related to bonding dissociation energy and Mulliken electron density, and could be estimated by the two indicators.
Sea buckthornPolyphenolsNitrite degradationHydrogen atom transfer
Ben, Tingting、Wu, Ping、Zou, Hui、Chen, Yilun
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Shandong Agr Univ, Coll Food Sci & Engn, Key Lab Food Proc Technol & Qual Control Shandong, Tai An 271018, Shandong, Peoples R China
NSTL
Elsevier
