Chemical structure of the G1 PLL dendrimer. The black line shows the core, the green line shows an inner lysine residue, and the red line shows a terminal lysine residue.
Solvent accessible surfaces of the dendrimers of G = 1 to G = 5 generations.
Asphericity δ as a function of dendrimer molecular mass M.
Dependence of gyration radius R g on the product MG 2 (M is the molecular mass and G is the generation number).
Dendrimer hydrodynamic radius R h as a function of molecular mass (double log scale). Experimental data 18 (black triangles) and estimates from MD simulation: through 5% water density decay (red circles) and through (blue diamonds). Statistical errors are within 5%.
Density profiles for dendrimers of generations G from 1 to 5. r COM is the distance from the center of mass.
Number of terminal groups N at a given distance r from the dendrimer center in the case of fully stretched spacers for different generations G. The dashed lines are eye guides.
Distribution density p of terminal groups, r is the distance from the dendrimer center.
Average number of water molecules ⟨N wat ⟩ within a sphere of radius equal to hydrodynamic radius R h .
Number of water molecules ⟨n wat ⟩ in the first coordination sphere of terminal groups as a function of the contour length L c of the corresponding branch.
(a) Charge distribution density p q (r/R g ). (b) Integral charge Q of the sphere with radius r (in units of R g ) for different generations G.
Ratio between uncompensated charge Q obtained from simulation (Q max ) or analytic theory (Q*) and the dendrimer charge Q tot as a function of the distance from the dendrimer center of mass R max where negative charges of counterions compensate positive dendrimer charges.
Parameters of simulated dendrimers.
Radii of gyration R g .
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