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Research Abstracts Online
January 2010 - March 2011

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University of Minnesota Twin Cities
College of Science and Engineering
Department of Chemistry

PI: Philippe Buhlmann

Molecule Receptors for Protonated Creatine

Creatinine is one of the most commonly determined analytes in clinical laboratories. Abnormal creatinine levels can be an indicator for renal and muscle diseases. Currently, creatinine is most often measured by the Jaffe reaction or by enzymatic methods. Both methods suffer from selectivity deficiencies, with interference caused by common substances in biological samples like glucose, urea, and many others. The ultimate goal of this project was to develop receptor-based chemical sensors for creatinine.

In order to make a successful and highly selective chemical sensor, molecules that specifically bind creatinine must be developed. The initial step in the receptor design is looking for theoretical support in choosing a molecular receptor that complexes protonated creatinine, i.e., the creatininium ion. The researchers developed several theories acceptable for modeling creatinium, and used their top ten for the next step, evaluating dipole moments, charge distribution, and proton affinities. They then determined the hydrogen bond strength of each hydrogen bond donor and acceptor site on creatininium.

Group Member

Nicole Settergren, Graduate Student