In contrast to artificial molecules, natural photosensitizers have the benefit of excellent toxicity profiles and of life-compatible activating energy ranges. Flavins are such photosensitizers that were selected by nature in a plethora of light-triggered biochemical reactions. Flavin-rich nanoparticles could thus emerge as promising tools in photodynamic therapies and in active-targeting drug delivery. Self-assembled flavin-conjugated phospholipids improve the pharmacokinetics of natural flavins and, in the case of controlled morphologies, reduce photobleaching phenomena. The current article presents a proof of concept for the design of riboflavin-rich nanoparticles of tunable morphology from multilamellar patches to vesicular self-assemblies. Coarse-grained simulations of the self-assembling process revealed the key interactions governing the obtained nanomaterials and successfully guided the synthesis of new flavin-conjugates of predictable self-assembly. The obtained flavin-based liposomes had a 65 nm hydrodynamic diameter, were stable, and showed potential photosensitizer activity.

中文翻译：

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黄素共轭纳米炸弹：控制其自组装形态的关键结构要求

与人造分子相比，天然光敏剂具有出色的毒性特征和与生命相容的活化能范围。黄素是这样的光敏剂，在大量光触发的生化反应中被自然选择。因此，富含黄素的纳米粒子可能成为光动力疗法和主动靶向药物递送中的有前途的工具。自组装黄素偶联磷脂可改善天然黄素的药代动力学，并在受控形态的情况下减少光漂白现象。目前的文章提出了设计具有可调谐形态的富含核黄素的纳米粒子的概念证明，从多层贴片到囊泡自组装。自组装过程的粗粒度模拟揭示了控制获得的纳米材料的关键相互作用，并成功指导了可预测自组装的新黄素共轭物的合成。获得的基于黄素的脂质体具有 65 nm 的流体动力学直径，是稳定的，并显示出潜在的光敏剂活性。