Design of biomolecular sensors based on photoinduced electron transfer (PET) and molecular recognition

ORGN 22

Daniel J. Dyer, Ruisong Xu, rsxu@siu.edu, Surendra Puli, Charles Cook, Matthew E. McCarroll, mmccarroll@chem.siu.edu, Irene Kimaru, Yu Shi, and Lichang Wang. Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901-4409
We will discuss a general strategy for designing fluorescent based sensors that utilize molecular recognition to modulate the photoinduced electron transfer (PET) pathway. Our approach relies heavily on computational chemistry to predict the preferred geometry of the host-guest moieties in the bound and unbound states. Furthermore, we use the calculate HOMO and LUMO levels to choose an appropriate fluorophore that may exhibit PET in the unbound state. Thus, upon binding the fluorescence quenching is perturbed and light is emitted. The sensor molecule is partitioned into four segments, a fluorophore, an energy receptor, a linker between the two, and a binding site. Each segment may be modified independently to fine-tune the response characteristics. This strategy has been successfully employed to yield sensors that are selective for zinc and citric acid.