Different locations of adenine in AOT and CTAB reverse micelles

被引：9

作者：

Luo, Jian ^{[1
,2
]}

Liu, Yan ^{[1
,2
]}

Yang, Songqiu ^{[1
]}

机构：

[1] Chinese Acad Sci, DICP, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China

[2] Univ Chinese Acad Sci, Beijing 10049, Peoples R China

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2017年 / 232卷

基金：

中国国家自然科学基金;

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; NANOCONFINED WATER; ATOMIC CHARGES; NUCLEIC-ACIDS; FLUORESCENCE; MODEL; STATE; SIZE; PHOTOPHYSICS; ABSORPTION;

D O I：

10.1016/j.molliq.2017.02.067

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We explore the locations of adenine encapsulated in the anionic Aerosol-OT (AOT) and cationic cetyltrimethylammonium bromide (CTAB) reverse micelles (RMs) utilizing steady-state spectroscopy and molecular dynamics simulations. In AOT RMs with various water contents, adenine forms stacked conformers at the AOT/water interface, determined by the appearance of emission from adenine excimers and molecular dynamics simulations. In contrast, adenine resides in the water core of CTAB RMs without the formation of stacked conformers. The interbase distance of stacked adenines at the AOT/water interface has a significant fluctuation, especially in RMs of low water content. Hydrogen bonding interactions between adenine and AOT molecules play a role in the formation of stacked adenines. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：236 / 242

页数：7

共 49 条

[1] Molecular modeling and simulations of AOT-Water reverse micelles in isooctane: Structural and dynamic properties [J].