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Zhu L, Song X, Pan F, et al. Interaction mechanism of kafirin with ferulic acid and tetramethyl pyrazine: Multiple spectroscopic and molecular modeling studies. Food Chem. 2021;363:130298doi: 10.1016/j.foodchem.2021.130298.
Zhu, L., Song, X., Pan, F., Tuersuntuoheti, T., Zheng, F., Li, Q., Hu, S., Zhao, F., Sun, J., & Sun, B. (2021). Interaction mechanism of kafirin with ferulic acid and tetramethyl pyrazine: Multiple spectroscopic and molecular modeling studies. Food chemistry, 363130298. https://doi.org/10.1016/j.foodchem.2021.130298
Zhu, Lin, et al. "Interaction mechanism of kafirin with ferulic acid and tetramethyl pyrazine: Multiple spectroscopic and molecular modeling studies." Food chemistry vol. 363 (2021): 130298. doi: https://doi.org/10.1016/j.foodchem.2021.130298
Zhu L, Song X, Pan F, Tuersuntuoheti T, Zheng F, Li Q, Hu S, Zhao F, Sun J, Sun B. Interaction mechanism of kafirin with ferulic acid and tetramethyl pyrazine: Multiple spectroscopic and molecular modeling studies. Food Chem. 2021 Nov 30;363:130298. doi: 10.1016/j.foodchem.2021.130298. Epub 2021 Jun 05. PMID: 34237557.
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Food Chem. 2021 Nov 30;363:130298. doi: 10.1016/j.foodchem.2021.130298. Epub 2021 Jun 05.

Interaction mechanism of kafirin with ferulic acid and tetramethyl pyrazine: Multiple spectroscopic and molecular modeling studies.

Food chemistry

Lin Zhu, Xuebo Song, Fei Pan, Tuohetisayipu Tuersuntuoheti, Fuping Zheng, Qing Li, Siqi Hu, Feifei Zhao, Jinyuan Sun, Baoguo Sun

Affiliations

  1. Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University, Beijing 100048, China; Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China; Key Laboratory of Brewing Molecular Engineering of China Light Industry, Beijing Technology and Business University, Beijing 100048, China.
  2. Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University, Beijing 100048, China; Beijing Engineering and Technology Research Center of Food Additives, Beijing Technology and Business University, Beijing 100048, China.
  3. Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University, Beijing 100048, China.
  4. Beijing Advanced Innovation Center for Food Nutrition and Human Health, Beijing Technology and Business University, Beijing 100048, China; Beijing Laboratory of Food Quality and Safety, Beijing Technology and Business University, Beijing 100048, China; Key Laboratory of Brewing Molecular Engineering of China Light Industry, Beijing Technology and Business University, Beijing 100048, China. Electronic address: [email protected].

PMID: 34237557 DOI: 10.1016/j.foodchem.2021.130298

Abstract

Ferulic acid (FA) and tetramethyl pyrazine (TMP) are intrinsic bioactive compounds in baijiu, and kafirin is the major protein of sorghum, which is the raw material of baijiu. In this study, the interactions of kafirin-FA and kafirin-TMP were investigated by multiple spectroscopic and molecular modeling techniques. Fluorescence spectra showed that intrinsic fluorescence of kafirin drastically quenched because of the formations of kafirin-FA and kafirin-TMP complexes. The CD studies indicated that the combination with FA or TMP decreased the α-helix content of kafirin slightly. The shifts and intensity changes of UV-Vis, FTIR and fluorescence spectra confirmed the formations of complexes. Moreover, the molecular docking and molecular dynamics studies showed that hydrophobic interactions and hydrogen bonds played major roles in the formations of kafirin-FA and kafirin-TMP complexes, and the formations of complexes made kafirin structures more compact. This work is of great importance for further quality improvement in baijiu and alcoholic beverages.

Copyright © 2021 Elsevier Ltd. All rights reserved.

Keywords: Ferulic acid; Ferulic acid (Pub Chem CID: 445858); Kafirin; Molecular docking; Molecular dynamics; Spectroscopy; Tetramethyl pyrazine; Tetramethyl pyrazine (Pub Chem CID: 14296)

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