High Resolution Microwave Spectroscopy
We use high-resolution microwave spectroscopy to probe the structures of biomolecules and their solvent complexes. There are two state-of-the art Fourier-transform microwave spectrometers in our laboratory; only about 75 such instruments exist world-wide. Our group has also developed a unique matrix-assisted laser vaporization source to facilitate the study of larger biomolecules with our spectrometer. Stop by our laboratories to see our custom-built instruments!
Our primary goal is to determine the conformational structures (i.e. structures related to each other by twists about the single bonds of a molecule) of small biological molecules such as amino acids and peptides. We have recently reported the gas-phase structure of the model peptide N-acetyl alanine methyl amide, which adopts a C eq 7 structure (right) in the gas phase and a Polyproline-II structure in solution and crystal phases. Since different conformational isomers often have very similar energies, it is usually unknown which conformation is the most stable in different environments.
Ph.D. University of Chicago, 1991
Professor
034 SRL
mtuberge@kent.edu
330-672-7079
Molecular structure and function in biological systems are intimately related. Enzymes, for example, function properly only when they adopt the correct 3D spatial arrangement. Our research is focused on understanding the role of weakly bonding interactions in determining the conformational structures of large molecules – especially biological mimetics.
We also investigate how different solvent interactions control the conformational preferences of biological molecules. Recently we have shown that formation of the 1:1 complex of 2-aminoethanol and water changes the conformational structure of the 2-aminoethanol: the 2-aminoethanol O – C – C – N dihedral angle increases from 58º to 71º to accommodate formation of new intermolecular hydrogen bonds in the complex. Our studies provide important data linking real experimental systems to theoretical molecular models (that are widely used to design new pharmaceuticals) which predict the conformational structures of isolated molecules.
Selected Publications
Tubergen, M. J. et al. Rotational spectra and conformational structures of 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone. Journal of Physical Chemistry A 110, 13188 – 13194 (2006).
Tubergen, M. J. et al. Effect of solvent on molecular conformation: Microwave spectra and structures of 2-aminoethanol van der Waals complexes. Journal of Chemical Physics 119, 8397 – 8403 (2003).
Lavrich, R. J. et al. Experimental studies of peptide bonds: Identification of the C eq 7 conformation of the alanine dipeptide analog N-acetyl-alanine-N’-methyl amide from torsion-rotation interactions. Journal of Chemical Physics 118, 1253 – 1265 (2003).
Last Updated: 05 September 2007
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