Molecular Recognition on the Multisite Binding Surface of the Keplerate {MoFe} Giving Supramolecular Texturing and Modulating the Function of Guest Molecules.

Molecular recognition underlies structure formation in supramolecular architectures either in materials or in living systems. Here, we used the nanoscale nontoxic Keplerate-type polyoxometalate (POM) {MoFe} as a template for the recognition of two different guest molecules [tetracycline (TC) and doxorubicin (DOX)] on the textured surface. By means of single crystal X-ray analysis and X-ray photoelectron spectroscopy (XPS), we revised the key features of the {MoFe} structure, showcasing the guest dimolybdenum units' {Mo} location under the hexagonal pores and dynamic exchange of these units during dissolution in an aqueous medium.