Physical characterization and in silico modeling of inulin polymer conformation during vaccine adjuvant particle formation.
Physical characterization and in silico modeling of inulin polymer conformation during vaccine adjuvant particle formation.
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DOI：
10.1016/j.carbpol.2016.01.062
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发表时间：
2016-06-05
影响因子：
11.2
通讯作者：
Petrovsky N
中科院分区：
文献类型：
--
作者：
Barclay TG;Rajapaksha H;Thilagam A;Qian G;Ginic-Markovic M;Cooper PD;Gerson A;Petrovsky N
本研究将同步加速器 SAXS、FTIR 和显微镜的物理数据与计算机分子结构预测和数学模型相结合，以检查菊粉佐剂颗粒的形成和结构。结果表明，菊粉聚合物链在溶液中呈溶胀的无规卷曲。当溶液中发生沉淀时，一条链的葡萄糖端基与相邻链的果糖基团之间的相互作用有助于驱动有组织的组装，最初形成菊粉带，其链的螺旋组织垂直于带的长轴。随后带状物的聚集产生层状半结晶颗粒，先前已证明其可作为有效的疫苗佐剂。 γ-菊粉佐剂颗粒由8.5 nm厚的结晶层组成，该结晶层包含与层平面正交的螺旋组织的菊粉链。这些结晶层与 2.4 nm 厚的非晶层交替，使总体颗粒结晶度达到 78%。
This study combined physical data from synchrotron SAXS, FTIR and microscopy with in-silico molecular structure predictions and mathematical modeling to examine inulin adjuvant particle formation and structure. The results show that inulin polymer chains adopt swollen random coil in solution. As precipitation occurs from solution, interactions between the glucose end group of one chain and a fructose group of an adjacent chain help drive organized assembly, initially forming inulin ribbons with helical organization of the chains orthogonal to the long-axis of the ribbon. Subsequent aggregation of the ribbons results in the layered semicrystalline particles previously shown to act as potent vaccine adjuvants. γ-inulin adjuvant particles consist of crystalline layers 8.5 nm thick comprising helically organized inulin chains orthogonal to the plane of the layer. These crystalline layers alternate with amorphous layers 2.4 nm thick, to give overall particle crystallinity of 78%.