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. Author manuscript; available in PMC: 2015 Feb 1.
Published in final edited form as: Nanomedicine. 2013 Aug 3;10(2):359–369. doi: 10.1016/j.nano.2013.07.014

Figure 5.

Figure 5

Molecular dynamic simulations of ND and DNR to confirm DNR release from ND carriers. (A) The NDs considered in the model were 4.1 nm in diameter and consisted of 5795 carbon atoms. They were shaped like truncated octahedrons, with 8 hexagonal surfaces and 6 square surfaces with [111] and [100] facet planes respectively. (B) DNR molecules consist of atoms of carbon (aqua), hydrogen (gray), oxygen (red), and nitrogen (blue). (C) The initial structure of a simulated ND-R with 100 DNR molecules bound to the ND surface. (D) DNR release at pH 2. (E) DNR release at pH 4. (F) DNR release at pH 7.