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. Author manuscript; available in PMC: 2015 Apr 1.
Published in final edited form as: J Comput Aided Mol Des. 2013 Nov 12;28(4):319–325. doi: 10.1007/s10822-013-9690-2

Figure 5.

Figure 5

1H NMR of: a) Free host OA. [host] = 1.0 mM; b) a 1:X ratio of host and guest 8 [host] = 1.0 mM; the inset shows the shift in the benzal hydrogen signal as a function of increasing guest. All solutions in 10 mM sodium tetraborate buffer.