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Terahertz Spectroscopy and Density Functional Theory Investigation of the Dipeptide L-Carnosine

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Abstract

Terahertz spectroscopy and density functional theory (DFT) calculations have been used to study the dipeptide l-carnosine. In this paper, we expand the range of materials described with THz measurements and DFT calculations from amino acids to dipeptides. Three clear resonances were detected in the experimental spectrum at 1.5 THz, 1.9 THz, and 2.3 THz. Additionally, we performed periodic boundary condition DFT calculations. The computational spectrum accurately reproduces the experimental one.

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Acknowledgments

We thank Brandon Q. Mercado for measuring the powder XRD spectra, and Batop GmbH for providing the photoconductive antennas at a discount. JN also thanks Nikhil S. Malvankar for financial support.

Funding

This study is financially supported by the National Science Foundation under grant no. NSF CHE—CSDMA 1465085.

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  1. Department of Molecular Biophysics and Biochemistry, and Molecular Science Institute, Yale University, West Haven, CT, 06516, USA

    Jens Neu

  2. Department of Chemistry, and Energy Science Institute, Yale University, New Haven, CT, 06520-8107, USA

    Charles A. Schmuttenmaer

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Neu, J., Schmuttenmaer, C.A. Terahertz Spectroscopy and Density Functional Theory Investigation of the Dipeptide L-Carnosine. J Infrared Milli Terahz Waves 41, 1366–1377 (2020). https://doi.org/10.1007/s10762-019-00636-7

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