Artificial receptors for perrhenate and pertechnetate

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The design of anion receptors of analytical and biochemical utility has become an area of increased interest in supramolecular and molecular recognition chemistry. Perrhenate and pertechnetate are among the anions that are the most difficult to bind due to their relatively large size and low charge density. On the one hand, the appropriate receptors for these anions might permit completely new approaches for the radiolabeling of organic compounds without the need for the classic reduction steps involving conversion of Re(VII) and Tc(VII) to easier-to-manipulate oxidations states. On the other hand, highly selective hosts might solve remediation problems caused by pertechnetate. Most of the known receptors for pertechnetate and perrhenate were found just by trial and error approach. They possess pure selectivity in binding these anions in solution. Our project is focused on the design of a new class of selective receptors for pertechnetate and perrhenate and on understanding how to bind the anions with high selectivity in the presence of hydrophilic anions, such as phosphate, sulfate and chloride. In a collaboration with theoreticians, we plan to develop a tool to predict the best design of receptors based on given building blocks and linkers. We will select with the help of quantum chemical calculations the structures that accommodate the perrhenate anion with best geometrical fit between the host and the guest and explore two classes of receptors, which can bind all four oxygen atoms of the perrhenate or pertechnetate anions. The receptors will have a) an acyclic foldamer-like structure and b) a cyclic structure.