Fig. 2

1H NMR spectra of the host-guest complexation between the nanocube and guest molecules (500 MHz, D2O, 298 K). Red solid circles indicate the p-tolyl methyl signals (i1, i2, and i3). Blue solid circles indicate the signals for guest molecules encapsulated in the nanocube. The most downfield-shifted four signals (DF@16 and PE2@16) derived from the protons neighboring nitrogen atoms of the N-methylpyridinium groups in 16 disappeared through the H/D exchange with D2O upon heating at 90 °C24