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Some Features of Surfactant Organization in DNA Solutions at Various NaCl Concentrations.
ACS Omega ( IF 4.1 ) Pub Date : 2020-07-13 , DOI: 10.1021/acsomega.0c01850
Irina A Silanteva 1 , Andrei V Komolkin 1 , Veronika V Mamontova 1 , Pavel N Vorontsov-Velyaminov 1 , Svetlana Santer 2 , Nina A Kasyanenko 1
Affiliation  

The photosensitive azobenzene-containing surfactant C4-Azo-OC6TMAB is a promising agent for reversible DNA packaging in a solution. The simulation of the trans-isomer surfactant organization into associates in a solution with and without salt as well as its binding to DNA at different NaCl concentrations was carried out by molecular dynamics. Experimental data obtained by spectral and hydrodynamic methods were used to verify the results of simulation. It was shown that head-to-tail aggregates with close to antiparallel orientation of surfactant molecules were formed at certain NaCl and surfactant concentrations (below critical micelle concentration). Such aggregates have two positively charged ends, and therefore, they can be attracted to negatively charged DNA phosphates far located along the chain, as well as those that belong to different molecules. This contributes to the formation of intermolecular DNA–DNA contacts, and this way, the experimentally observed precipitation of DNA can be explained.

中文翻译:

不同NaCl浓度的DNA溶液中表面活性剂组织的某些特征。

感光性含偶氮苯的表面活性剂C 4-偶氮-OC 6TMAB是用于溶液中可逆DNA包装的有前途的试剂。通过分子动力学模拟了在有盐和无盐的溶液中反式异构体表面活性剂组织成缔合物以及其在不同NaCl浓度下与DNA的结合。通过光谱和流体动力学方法获得的实验数据被用于验证模拟结果。结果表明,在一定的NaCl和表面活性剂浓度(低于临界胶束浓度)下,形成了具有接近平行取向的表面活性剂分子的头尾聚集体。这样的聚集体具有两个带正电荷的末端,因此,它们可以被吸引到沿链很远的带负电荷的DNA磷酸盐以及属于不同分子的那些磷酸盐。
更新日期:2020-07-28
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