Study on inclusion complexation between plant growth regulator 6-benzylaminopurine and beta-cyclodextrin: Preparation, characterization and molecular modeling
文献类型： 外文期刊
作者： Ge, Xia 1 ; He, Jiang 1 ; Yang, Ying 1 ; Qi, Fengming 1 ; Huang, Zheng 2 ; Lu, Ruihua 1 ; Huang, Lizhen 1 ; Yao, Xiaojun 1 ;
作者机构： 1.Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Peoples R China
2.Gansu Acad Agr Sci, Inst Agr Prod Storage & Proc, Lanzhou 730070, Peoples R China
关键词： 6-Benzylaminopurine;beta-Cyclodextrin;Inclusion complex;Molecular modeling
期刊名称：JOURNAL OF MOLECULAR STRUCTURE （ 影响因子：3.196； 五年影响因子：2.618 ）
ISSN： 0022-2860
年卷期： 2011 年 994 卷 1-3 期
页码：
收录情况： SCI
摘要： An inclusion complex between the plant growth regulator 6-benzylaminopurine (6-BA) and beta-cyclodextrin (beta-CD) was prepared. A 1:1 host-guest stoichiometry was conformed by elemental analysis and Job's plot. From phase solubility diagram, a calculated apparent stability constant was 259.49 L/mol. The obtained complex was found to significantly improve the water solubility of 6-BA, and there was a 4:1-fold increase in the presence of 12 mmol/L beta-CD as compared with the free 6-BA. Thermoanalysis, NMR and IR spectra were applied to characterize the complex. (1)H NMR and ROESY results indicated that the benzene ring of 6-BA was included into the beta-CD cavity, which was in agreement with the most predominant configuration optimized by molecular modeling. (C) 2011 Elsevier B.V. All rights reserved.
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