Data from: Manipulating the Ordered Nanostructure of Self-Assembled Monoolein and Phytantriol Nanoparticles with Unsaturated Fatty Acids

Mesophase structures of self-assembled lyotropic liquid crystalline nanoparticles are important factors that directly influence their ability to encapsulate and release drugs and their biological activities. However, it is difficult to predict and precisely control the mesophase behavior of these materials, especially in complex systems with several components. In this study, we report the controlled manipulation of mesophase structures of monoolein (MO) and phytantriol (PHYT) nanoparticles by adding unsaturated fatty acids (FAs). By using high throughput formulation and small-angle X-ray scattering characterization methods, the effects of FAs chain length, cis–trans isomerism, double bond location, and level of chain unsaturation on self-assembled systems are determined. Additionally, the influence of temperature on the phase behavior of these nanoparticles is analyzed. We found that in general, the addition of unsaturated FAs to MO and PHYT induces the formation of mesophases with higher Gaussian surface curvatures. As a result, a rich variety of lipid polymorphs are found to correspond with the increasing amounts of FAs. These phases include inverse bicontinuous cubic, inverse hexagonal, and discrete micellar cubic phases and microemulsion. However, there are substantial differences between the phase behavior of nanoparticles with trans FA, cis FAs with one double bond, and cis FAs with multiple double bonds. Therefore, the material library produced in this study will assist the selection and development of nanoparticle-based drug delivery systems with desired mesophase.

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自组装溶致液晶纳米颗粒（lyotropic liquid crystalline nanoparticle）的中间相结构，是直接影响其药物包封、释药能力及生物活性的关键因素。然而，精准预测并调控此类材料的中间相行为颇具难度，在多组分复杂体系中这一挑战尤为突出。本研究通过添加不饱和脂肪酸（unsaturated fatty acid, FAs），实现了对单油酸甘油酯（monoolein, MO）与植烷三醇（phytantriol, PHYT）纳米颗粒中间相结构的可控调控。本研究采用高通量配方筛选与小角X射线散射（small-angle X-ray scattering）表征手段，明确了脂肪酸碳链长度、顺反异构、双键位置以及碳链不饱和度对自组装体系的影响。此外，本研究还分析了温度对此类纳米颗粒相行为的调控作用。
研究发现，总体而言，向MO与PHYT体系中添加不饱和脂肪酸，可诱导形成具有更高高斯表面曲率的中间相。随着脂肪酸添加量的提升，脂质多晶型的种类愈发丰富，具体涵盖反双连续立方相、反六方相、离散胶束立方相以及微乳液。不过，含反式脂肪酸、单双键顺式脂肪酸以及多双键顺式脂肪酸的纳米颗粒，其相行为存在显著差异。因此，本研究构建的材料库将为筛选与开发具备目标中间相的纳米药物递送系统提供有力支撑。
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