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. Author manuscript; available in PMC: 2011 Aug 24.
Published in final edited form as: ACS Nano. 2010 Aug 24;4(8):4463–4474. doi: 10.1021/nn100399f

Figure 8.

Figure 8

Dissolution and translocation connected with pore-opening. Snapshots show the starting structure (a) and the last frames for simulations 15 (b), 16 (c), 17 (d) and 18 (e). Deprotonated PET residues are pictured as purple lines, HPO42, Ca2+, and K+ ions are colored in red, green, and blue, respectively. The location of the precipitate is highlighted with a black circle. For simulation 16 (c), the position of the pulling HPO42 ion is highlighted with a black arrow. For simulations 17 (d) and 18 (e), the precipitate tore three PET chains from the pore, colored in cyan.