Fig. 1. Molecular schematic illustrations of Au nanoparticle and lipids. Here, DPPC, DFPC and cholesterol (CHOL) are electrically neutral, while DPPG or DFPG has a negatively charged headgroup. Additionally, DPPC and DPPG are fully saturated, while DFPC and DFPG are poly-unsaturated. The coloring scheme of the nanoparticle and lipids is used throughout the whole paper.金纳米颗粒和脂分子的分子结构示意图 其中DPPC, DFPC以及CHOL (胆固醇)为不带电的脂分子, 而DPPG和DFPG为头部带负电的脂分子; 另外DPPC和DPPG为饱和脂分子, 而DFPC和DFPG为不饱和脂分子; 颗粒和各种脂分子的各部分颜色表示通用于全文
Fig. 2. Phase-separated lipid bilayer composed of DPPC (purple), DFPC (pink) and CHOL (gray) with the molar ratio of 4 ∶ 3 ∶ 3. Here, Lo domain is enriched in DPPC and CHOL, while Ld domain is enriched in DFPC.由DPPC (紫色), DFPC (粉红色)及CHOL (灰色)按4 ∶ 3 ∶ 3摩尔比组成的三组分相分离脂质双层膜的侧视图(上)和俯视图(下). 其中, Lo畴富含DPPC和CHOL, Ld畴富含DFPC
Fig. 3. Dynamic processes of adsorption of three different positively charged nanoparticles onto the surface of phase-separated lipid bilayer composed of DPPC & DPPG/DFPC/CHOL: (a) Au 70/+70; (b) Au104/+104; (c) Au174/+174.
3种不同带正电的纳米颗粒吸附于由DPPC&DPPG/DFPC/CHOL组成的相分离膜上的动力学过程 (a) Au70/+70; (b) Au104/+104; (c) Au174/+174
Fig. 4. Dynamic processes of adsorption of three different positively charged nanoparticles into/onto the surface of the phase-separated lipid bilayer composed of DPPC/DFPC&DFPG/CHOL: (a) Au70/+70; (b) Au104/+104; (c) Au174/+174.
3种不同带正电的纳米颗粒吸附于由DPPC/DFPC&DFPG/CHOL组成的相分离膜上的动力学过程 (a) Au70/+70; (b) Au104/+104; (c) Au174/+174
Fig. 5. PMF curves of two kinds of positively charged nanoparticles with charged/neutral Lo/Ld lipid domains: (a) Au70/+70; (b) Au174/+174.
两种带正电的颗粒与带电/中性的Lo/Ld脂质畴之间的PMF曲线 (a) Au70/+70; (b) Au174/+174
Fig. 6. Final stable structures of adsorption of Au70/−70, Au104/−104, Au174/−174 onto the surface of DPPC&DPPG/DFPC/CHOL (a)−(c) and DPPC/DFPC&DFPG/CHOL (d)−(f) phase-separated lipid bilayers at the simulation time of 15 μs.
3种不同带负电的纳米颗粒吸附于DPPC&DPPG/DFPC/CHOL (a)—(c) 和DPPC/DFPC&DFPG/CHOL (d)−(f) 组成的相分离的膜表面上在模拟时间为15 μs时的稳定结构
Fig. 7. PMF curves of Au70/−70 with charged/neutral Lo/Ld lipid domains.
Au70/−70与带电/中性的Lo/Ld脂质畴之间的PMF曲线
Fig. 8. Final stable structures of adsorption/penetration of Au104/+70 and Au174/+70 onto/into the DPPC&DPPG/DFPC/CHOL (a), (c) and DPPC/DFPC&DFPG/CHOL (b), (d) phase-separated lipid bilayers at the simulation time of 15 μs.
两种不同的表面部分带正电的纳米颗粒吸附或嵌入DPPC&DPPG/DFPC/CHOL (a), (c) 和DPPC/DFPC&DFPG/CHOL (b), (d) 组成的相分离的膜表面或内部在模拟时间为15 μs时的稳定结构
Fig. 9. Final stable structures of adsorption/penetration of Au104/−70 and Au174/−70 onto/into the DPPC&DPPG/DFPC/CHOL (a), (c) and DPPC/DFPC&DFPG/CHOL (b), (d) phase-separated lipid bilayers at the simulation time of 15 μs.
两种不同的表面部分带负电的纳米颗粒吸附或嵌入DPPC&DPPG/DFPC/CHOL (a), (c) 和DPPC/DFPC&DFPG/CHOL (b), (d) 组成的相分离的膜表面或内部在模拟时间为15 μs时的稳定结构
金纳米颗粒 | 配体总数 | 带电配体数 | 中性配体数 | Au70/±70 | 70 | 70 | 0 | Au104/±70 | 104 | 70 | 34 | Au104/±104 | 104 | 104 | 0 | Au174/±70 | 174 | 70 | 104 | Au174/±174 | 174 | 174 | 0 |
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Table 1. Types of Au nanoparticles in this work.
本文所研究金纳米颗粒的类型
脂质双层膜 | 带电脂 | Lo畴组分(带电性) | Ld畴组分(带电性) | DPPC&DPPG/DFPC/CHOL | DPPG | DPPC&DPPG/CHOL(带电) | DFPC(中性) | DPPC/DFPC&DFPG/CHOL | DFPG | DPPC/CHOL(中性) | DFPC&DFPG(带电) |
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Table 2. Components of lipid bilayers and lipid domains.
脂质双层膜及脂质畴的组分