[1]欧光南.血红素的电荷与其催化活性关系的研究[J].集美大学学报(自然版),2019,24(6):428-431.
 OU Guangnan.Relationship of Catalytic Activity and Charge State of Hemin[J].Journal of Jimei University,2019,24(6):428-431.
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血红素的电荷与其催化活性关系的研究()
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《集美大学学报(自然版)》[ISSN:1007-7405/CN:35-1186/N]

卷:
第24卷
期数:
2019年第6期
页码:
428-431
栏目:
水产、食品与生物技术
出版日期:
2019-11-28

文章信息/Info

Title:
Relationship of Catalytic Activity and Charge State of Hemin
作者:
欧光南
(集美大学食品与生物工程学院,福建 厦门 361021 )
Author(s):
OU Guangnan
(College of Food and Biological Engineering,Jimei University,Xiamen 361021,China)
关键词:
血红素催化活性量子化学反应动力学前线轨道能级
Keywords:
hemincatalysis activityquantum chemistryreaction kineticsfrontier orbital energy level
摘要:
研究血红素催化过氧化氢氧化愈创木酚反应动力学,并对不同的血红素催化剂进行量子化学计算。结果表明,顺式血红素具有更高效的催化作用,反式血红素催化效果较差,这种差异可能与铁卟啉的前线轨道能级有关。对于同一催化剂,无论是顺式还是反式,随着pH值升高,反应活化能都降低,铁卟啉所带的负电荷增加是其中因素之一。可见,铁卟啉所带的负电荷与其催化活性具有相关性。
Abstract:
The kinetics of H2O2-dependent oxidation of guaiacol catalyzed by hemin was investigated.The molecular frontier orbital energies of hemin were calculated using DFT.The results showed that the cis-hemin was more active than the trans one.It was found that there was excellent correlation between catalytic activity and frontier orbital energy.The activation energies of the same hemin,cis or trans,decreased with the increase of pH,indicating that the negatively charge was the key factor on activity.
更新日期/Last Update: 2020-01-01