Fig. 4: Characterization of the host–guest behavior between Zn–ZPA and RFT or FDH.

a Representation of the encapsulation of Zn–ZPA and RFT computed by the theoretical ‘docking study’ calculations. b ITC experiments on Zn–ZPA upon the addition of RFT or FDH showing the formation of host–guest complexes in CH3CN/H2O (2:1). c ESI-MS spectra of Zn–ZPA (top), Zn–ZPA (middle) following the addition of 1 equiv of RFT and Zn–ZPA (bottom) following the addition of 1 equiv of 1a and RFT in CH3CN solution. The insets show the measured and simulated isotopic patterns at m/z = 864.5278, 1046.5880 and 1095.2858.