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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Surfactant structure around DNA in aqueous solution
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Surfactant structure around DNA in aqueous solution

机译：水溶液中DNA周围的表面活性剂结构

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摘要

Two different possible structures for decanetrimethylammonium surfactants around a DNA strand in aqueous solution were investigated using molecular dynamics. The first structure had surfactant going out radially from the DNA in a 'hairy' structure and in the other the surfactants were in a micelle structure. Both systems were simulated for greater than or equal to 1 ns. Results for the radius of gyration, the density and various radial distribution functions are given. By comparison with these results neutron diffraction experiments could definitively distinguish between these structures. The 'hairy' structure showed some evidence of clumping. Although this can be interpreted as incipient micelle formation, it was also found that head groups did move into the groove, a change which is not consistent with micelle formation. In comparison the micelle structure remained stable, although the shape elongated. [References: 27]
机译：使用分子动力学研究了水溶液中DNA链周围的癸烷三甲基铵表面活性剂的两种不同可能结构。第一种结构的表面活性剂以“毛状”结构放射状地从DNA中脱出，而另一种结构的表面活性剂则为胶束结构。两个系统的仿真时间都大于或等于1 ns。给出了回转半径，密度和各种径向分布函数的结果。通过与这些结果进行比较，中子衍射实验可以明确地区分这些结构。 “毛状”结构显示出一些结块迹象。尽管这可以解释为初期胶束的形成，但也发现头基确实移入了凹槽中，这种变化与胶束的形成不一致。相比之下，胶束结构保持稳定，尽管形状延长了。 [参考：27]

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