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. 2017 Jul 11;13(9):4253–4269. doi: 10.1021/acs.jctc.7b00359

Figure 2.

Figure 2

Example of the pentylammonium guest bound to the αCD host in both the primary (top) and secondary (bottom) orientations. The name of the orientation refers to the positioning of the guest polar group at the CD opening with either the primary alcohol groups or secondary alcohol groups of the cyclodextrin. One of the glucose monomers in the cyclodextrin has been removed for visualization purposes.