[1]臧学丽,黄志远,叶春民.高斯软件模拟转谷氨酰胺酶交联大豆分离蛋白机理的研究[J].高分子通报,2022,(10):108-119.[doi:10.14028/j.cnki.1003-3726.2022.10.012]
 ZANG Xue-li,HUANG Zhi-yuan,YE Chun-min.Study on Mechanism of Transglutaminase Cross-linking Soybean Protein Isolate Simulated by Gauss Software[J].POLYMER BULLETIN,2022,(10):108-119.[doi:10.14028/j.cnki.1003-3726.2022.10.012]
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高斯软件模拟转谷氨酰胺酶交联大豆分离蛋白机理的研究()
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《高分子通报》[ISSN:1003-3726/CN:11-2051/O6]

卷:
期数:
2022年10期
页码:
108-119
栏目:
出版日期:
2022-10-20

文章信息/Info

Title:
Study on Mechanism of Transglutaminase Cross-linking Soybean Protein Isolate Simulated by Gauss Software
作者:
臧学丽 黄志远 叶春民
长春医学高等专科学校药品食品学院, 长春 130031
Author(s):
ZANG Xue-li HUANG Zhi-yuan YE Chun-min
Changchun Medical College, Changchun 130031, China
关键词:
高斯软件转谷氨酰胺酶交联大豆分离蛋白机理
Keywords:
Gaussian softwareTransglutiminaseCross-linkingSoy protein isolateMechanism
DOI:
10.14028/j.cnki.1003-3726.2022.10.012
文献标志码:
A
摘要:
为了进一步验证转谷氨酰胺酶(TGase)交联大豆分离蛋白(SPI)作用机制,本研究通过计算化学方法模拟催化过程,利用在多相催化和生物催化领域来预算物质结构中经常使用的高斯软件(Gaussian)对TGase交联SPI作用机制进行模拟,经计算确定了转谷氨酰胺酶活性中心5个氨基酸连接的最佳结构。对酶催化SPI赖氨酸和谷氨酰胺脱氨反应过程进行了模拟。通过计算发现,在8种可能脱氨的方式中,只有2种方式的反应能顺利进行,每种方式各占一定比例,即谷氨酰胺脱γ位酰胺的氨基与赖氨酸ε位氨基氢、谷氨酰胺脱α位氨基与赖氨酸ε位氨基氢发生脱氨反应,反应过程的能垒分别为49.50和44.35 kcal/mol。SPI发生随机交联可生成高分子聚合物,改变SPI的功能特性,提高大豆分离蛋白的凝胶强度。
Abstract:
The purpose of this study is to further verify the mechanism of transglutaminase (TGase) cross-linking soybean protein isolate (SPI). The mechanism of SPI cross-linked with transglutaminase is simulated by Gaussian software, which is usually used in the field of the heterogeneous catalysis and biocatalysts. And the catalytic process is simulated by the chemical method. The results show that the center of transglutaminase activity comnected with 5 amino acids is the optimal structure by calculation. The enzymatic catalysis of the lysine and glutamine dehydrogenation reactions is simulated. The calculating results indicate that there are 8 possible deamination reactions. However, only 2 reactions can be carried out smoothly. Each method has a certain proportion, that is, glutamine amide γ-amide and lysine ε-amino hydrogen. Deamination reaction occurred between amino group and lysine toxic amino hydrogen, and the energy barriers of the reaction process were 49.50 and 44.35 kcal/mol, respectively. SPI can be cross-linked randomly to produce high molecular weight polymers. As a result, the functional characteristics of SPI is changed, and the gel strength of isolated soybean protein is improved.

参考文献/References:

[1] 孙小媛, 王一帆, 王韫慧, 蔺佳雨, 李金红, 丘远涛, 方小龙, 孔凡江, 李美娜.遗传,2021,43(1):52~65.
[2] 曾艳, 郝学财, 董婷, 孙媛霞.食品工业科技,2021,42(3):338~345,350.
[3] 曾剑华, 刘琳琳, 杨杨, 张娜, 石彦国, 朱秀清.大豆科学, 2019,38 (1):142~147,158.
[4] 吴劲轩, 夏文银, 夏川林, 蒲军, 郭俊英, 冯俊, 王香君, 殷浩. 食品工业科技,2020,41(17):345~351.
[5] 张庆霞. 食品研究与开发,2019,40(10):206~211.
[6] 王荣顺.基础量子化学. 长春:东北师范大学出版社,2006.
[7] 苏培峰, 谭凯, 吴安安, 吕鑫, 赵仪, 曹泽星, 吴玮. 厦门大学学报,2011,50(2):311~318.
[8] Liu S B. Acta Phys Chim Sin, 2009, 25 (3):590~600.
[9] Kohn W, Sham L J. Phys Rev,1965, 140 (4A):A1133~A1138.
[10] Kohn W, Becke A D, Parr R G. J Phys Chem, 1996,100 (31):12974~12980.
[11] Hohenberg P, Kohn W. Phys Rev,1964,136 (3B):B864~B871.
[12] Anslyn E V, Doughtery D A. Transition State Theory and Related Topics. In Modern Physical Organic Chemistry. California:University Science, 2006:365~373.
[13] 李严. 几类重要的离子/自由基-分子反应的理论研究. 长春:吉林大学理论化学研究所,2010.
[14] 郑轶莹水. 或多肽参与的绿色催化反应机制理论研究. 长春:东北师范大学,2011.
[15] Frisch M J, Trucks, G W, Schlegel, H B, et al. Inc,Wallingford CT,2009.
[16] Gonzalez C, Schlegel H B. J Phys Chem, 1990, 94(14):5523~5527.
[17] Gonzalez C, Schlegel H B. J Chem Phys, 1989,90(4):2154~2161.
[18] Gonzalez C, Schlegel H B. J Chem Phys, 1991,95(8):5853~5860.

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备注/Memo

备注/Memo:
收稿日期:2021-9-3;改回日期:2022-1-17。
基金项目:吉林省教育厅项目(JJKH20221350KJ)
通讯作者:叶春民(1968-),博士,研究方向高分子材料。E-mail:yecm1968@126.com.
更新日期/Last Update: 2022-09-20