Hydrotropic Solubilization by Urea Derivatives: A Molecular Dynamics Simulation Study

Figure 4

Snapshots of MD simulations of ethylurea and butylurea aqueous solutions with nifedipine. Water molecules are deleted for the sake of clarity. The nifedipine molecule is in colored ball and stick, and ethylurea molecules are in black line. All frames were viewed from OA direction. (a and b) NF + EU + Water system, 𝑡=3 ns (a) and 𝑡=4 ns (b). (c and d) NF + BU + Water system, 𝑡=3 ns (c) and 𝑡=4 ns (d).

(a)

(b)

(c)

(d)