A comprehensive study is reported on the effect of salt concentration, polyelectrolyte block length, and polymer concentration on the morphology and structural properties of nanoaggregates self‐assembled from BAB single‐strand DNA (ssDNA) triblock polynucleotides in which A represents polyelectrolyte blocks and B represents hydrophobic neutral blocks. A morphological phase diagram above the gelation point is developed as a function of solvent ionic strength and polyelectrolyte block length utilizing an implicit solvent ionic strength method for dissipative particle dynamics simulations. As the solvent ionic strength increases, the self‐assembled DNA network structures shrinks considerably, leading to a morphological transition from a micellar network to worm‐like or hamburger‐shape aggregates. This study provides insight into the network morphology and its changes by calculating the aggregation number, number of hydrophobic cores, and percentage of bridge chains in the network. The simulation results are corroborated through cryogenic transmission electron microscopy on the example of the self‐assembly of ssDNA triblocks.

中文翻译：

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半稀释状态下基于ssDNA的Triblock聚电解质的盐响应形态：体积分数和聚电解质长度的影响

据报道，盐浓度，聚电解质嵌段长度和聚合物浓度对BAB单链DNA（ssDNA）三嵌段多核苷酸自组装的纳米聚集体的形态和结构性能的影响进行了全面研究，其中A代表聚电解质嵌段，B代表疏水性中性嵌段。利用隐式溶剂离子强度方法对耗散粒子动力学进行仿真，得出胶凝点以上的形态相图是溶剂离子强度和聚电解质嵌段长度的函数。随着溶剂离子强度的增加，自组装的DNA网络结构会大大收缩，从而导致从胶束网络向蠕虫状或汉堡状聚集体的形态转变。通过计算聚集数量，疏水核的数量和网络中桥链的百分比，本研究可洞悉网络形态及其变化。ssDNA triblocks自组装的例子通过低温透射电子显微镜得到了仿真结果的证实。