25 March 2005 Experimental and theoretical study of the THz absorption spectra of selected tripeptides
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Abstract
We investigate small peptides using standard terahertz (THz) time-domain spectroscopy. As a test set we examine the tripeptides glutathione, gly-gly-gly and enalapril maleate at room temperature. While earlier investigations of short-chain polypeptides with a conventional FTIR spectrometer were performed at higher THz frequencies, we present first measurements between 150 GHz and 2 THz and compare our measurements to density functional theory (DFT) calculations in order to assign the measured resonances to distinct molecular motions. DFT calculations obtained for a single molecule (glutathione), dimers (gly-gly-gly) and ion pairs (enalapril maleate) coupled via H-bonds, reproduce correctly the number of resonances observed in the experiment.
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Frank Rutz, R. Wilk, T. Kleine-Ostmann, J. Grunenberg, Martin Koch, "Experimental and theoretical study of the THz absorption spectra of selected tripeptides", Proc. SPIE 5727, Terahertz and Gigahertz Electronics and Photonics IV, (25 March 2005); doi: 10.1117/12.590532; https://doi.org/10.1117/12.590532
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