大环糊精与α-生育酚包合物的结构表征及分子动力学模拟Structural characterization and molecular dynamics simulation of inclusion complex of large ring cyclodextrin and α- tocopherol

大环糊精与α-生育酚包合物的结构表征及分子动力学模拟Structural characterization and molecular dynamics simulation of inclusion complex of large ring cyclodextrin and α- tocopherol

为探讨大环糊精（LRCD）对目标化合物的封装效果，采用LRCD对α-生育酚进行包合，对包合物进行了傅里叶红外（FTIR）和核磁共振氢谱（1H NMR）表征，并通过分子动力学（MD）模拟技术，对聚合度为9、10、14和26的LRCD与α-生育酚形成包合物的过程进行模拟，通过分析包合过程中包合物的构象、均方根偏差（RMSD）、回转半径（Rg）变化考察包合物的稳定性，同时分析包合过程中LRCD与α-生育酚之间的相互作用能。结果表明：FTIR、1H NMR证实了包合物的形成；不同聚合度的LRCD空间构象呈不同的环状结构，在对α-生育酚包合过程中，随着模拟时间的延长，LRCD的环状结构随α-生育酚分子的...

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Bibliographic Details
Main Author:	曹川1,2，邓昌月2，宣凤琴1，周裔彬2 CAO Chuan1,2, DENG Changyue2, XUAN Fengqin1, ZHOU Yibin2
Format:	Article
Language:	English
Published:	中粮工科（西安）国际工程有限公司 2023-05-01
Series:	Zhongguo youzhi
Subjects:	大环糊精； α-生育酚;包合物; 分子动力学 large ring cyclodextrin; α- tocopherol; inclusion complex; molecular dynamics
Online Access:	http://tg.chinaoils.cn/ch/reader/create_pdf.aspx?file_no=20230510&year_id=2023&quarter_id=5&falg=1

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