研究提出了一种基于实验数据的DNA涂层胶体的量化多尺度粗粒化模型。该模型参数可转移，并且能够准确预测纳米胶体的固态结构和熔化温度。与传统假设的胶体相互作用的双体加性理论相比，模型预测的相行为更为精确。尽管在单链DNA的持久长度数据有限的情况下，空间量的预测存在一些定量差异，但随着实验数据的改善，这种方法为设计能自我组装成复杂三维结构的DNA功能化建筑块提供了路径。
摘要：
We present a quantitative, multi-scale coarse-grained model of DNA coated colloids. The parameters of this model are transferable and are solely based on experimental data. As a test case, we focus on nano-sized colloids carrying single-stranded DNA of length comparable to the colloids' size. We show that in this regime, the common theoretical approach of assuming pairwise additivity of the colloidal pair interactions leads to quantitatively and sometimes even qualitatively wrong predictions of the phase behaviour of DNA-grafted colloids. Compared to experimental data, we find that our coarse-grained model correctly predicts the equilibrium structure and melting temperature of the formed solids. Due to limited experimental information on the persistence length of single-stranded DNA, some quantitative discrepancies are found in the prediction of spatial quantities. With the availability of better experimental data, the present approach provides a path for the rational design of DNA-functionalised building blocks that can self-assemble into complex, three-dimensional structures.
展开
1814
被折叠的 条评论
为什么被折叠?
到【灌水乐园】发言
