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Raman spectral analyses of amino acids in life processes

Amino acids are the basic “building blocks” of peptides and proteins and play important roles in the physiological processes of all species. In this study, we simulated the Raman spectrum of Glycine, Tyrosine and Phenylalanine using General Atomic and Molecular Electronic Structure System (GAMESS) and Gaussian, two computational codes that perform calculations of electronic and vibrational properties of molecules. Through our work, strong bands with N-H and O-H bonds and with benzyl ring were pinpointed and identified. Our work presents insights into the importance of intermolecular bonding of amino acids in the life and physiological processes, including metabolism, signal transduction, and neurotransmission etc.