Theoretical reconstruction of viscosity profiles for 22-mer, 25-mer, and 30-mer PMOs
Superposed are the 25°C viscosity versus concentration profiles for the 22-mer (A), 25-mer (B), and 30-mer (C) PMOs obtained experimentally (black data points) and theoretically (black solid line). The insets show the profiles of specific viscosity ( is the viscosity of a pure solvent). Vertical dashed-dotted lines represent the borderline between the regions of dilute, semi-dilute, and concentrated solutions. (D–F) Representative snapshots from the all-atom MD simulations for the 25-mer PMO in the simulation box representing different solution concentrations: = 35 g/L (D), = 75 g/L (E), and = 100 g/L (F). The conformers are shown in licorice representation (sticks) and in twister representation (blue line) describing the backbone. MPG linker is shown in orange, A and T (C and G) bases are shown in green (red).