Nanoemulsions are used as drug delivery carriers for different types of systems. Nanoemulsions can enhance solubilization property of poorly water-soluble drugs and increase the drug loading. In this study, we used a nanoemulsion composed of benzalkonium chloride as surfactant, cyclohexane as oil phase, and ethanol as co-surfactant in water, to load small interfering RNA (siRNA) molecule. The system was investigated by three coarse-grained molecular dynamics simulations. The results showed that siRNA attached to benzalkonium chloride on the surface of the nanoemulsion and the oil beads were located in the hydrophobic core of the nanoemulsion, which made its size larger. The ethanol beads distributed throughout the system and did not enter to the hydrophilic shell of the nanoemulsion. The nanoemulsion structure was a compact prolate ellipsoid shape, before and after carrying the siRNA. The average value of radius of gyration of the nanoemulsion was 1.68 nm before and after joining siRNA and the average value of physical radius was 2.17 nm.

中文翻译：

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siRNA装载到纳米乳液中作为潜在载体的分子动力学模拟。

纳米乳液用作不同类型系统的药物输送载体。纳米乳剂可增强水溶性差的药物的增溶性能并增加药物载量。在这项研究中，我们使用由苯扎氯铵作为表面活性剂，环己烷作为油相，乙醇作为辅助表面活性剂的纳米乳液在水中负载小干扰RNA（siRNA）分子。通过三个粗粒度的分子动力学模拟研究了该系统。结果表明，附着在纳米乳剂表面的苯扎氯铵上的siRNA和油珠位于纳米乳剂的疏水核中，从而使其尺寸增大。乙醇珠分散在整个系统中，并且没有进入纳米乳液的亲水壳中。纳米乳液结构呈致密的长椭圆形，携带siRNA之前和之后。在加入siRNA之前和之后，纳米乳剂的回转半径的平均值为1.68nm，而物理半径的平均值为2.17nm。