文献类型：期刊文献

英文题名：Interactions between ionic liquid surfactant [C12mim]Br and DNA in dilute brine

作者：He, Yunfei[1,2];Shang, Yazhuo[1,2];Liu, Zhenhai[1,2];Shao, Shuang[3];Liu, Honglai[1,2];Hu, Ying[1,2]

机构：[1]E China Univ Sci & Technol, Key Lab Adv Mat, Shanghai 200237, Peoples R China;[2]E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China;[3]Zhejiang Int Studies Univ, Dept Chem, Hangzhou 310012, Zhejiang, Peoples R China

年份：2013

卷号：101

起止页码：398

外文期刊名：COLLOIDS AND SURFACES B-BIOINTERFACES

收录：;EI(收录号：20124815730630);WOS:【SCI-EXPANDED(收录号:WOS:000313405300059)】；

基金：This work is supported by the National Natural Science Foundation of China (project no. 21173079), the 111 Project of Ministry of Education of China (no. B08021) and the Fundamental Research Funds for the Central Universities.

语种：英文

外文关键词：DNA; Ionic liquid surfactant; Interaction; MD simulation

摘要：Interactions between ionic liquid surfactant [C(12)mim]Br and DNA in dilute brine were investigated in terms of various experimental methods and molecular dynamics (MD) simulation. It was shown that the aggregation of [C(12)mim]Br on DNA chains is motivated not only by electrostatic attractions between DNA phosphate groups and [C(12)mim]Br headgroups but also by hydrophobic interactions among [C(12)mim]Br alkyl chains. Isothermal titration calorimetry analysis indicated that the [C(12)mim]Br aggregation in the presence and absence of DNA are both thermodynamically favored driven by enthalpy and entropy. DNA undergoes size transition and conformational change induced by [C(12)mim]Br, and the charges of DNA are neutralized by the added [C(12)mim]Br. Various microstructures were observed such as DNA with loose coil conformation in nature state, necklace-like structures, and compact spherical aggregates. MD simulation showed that the polyelectrolyte collapses upon the addition of oppositely charged surfactants and the aggregation of surfactants around the polyelectrolyte was reaffirmed. The simulation predicted the gradual neutralization of the negatively charged polyelectrolyte by the surfactant, consistent with the experimental results. (C) 2012 Elsevier B.V. All rights reserved.