Presentation + Paper
20 February 2019 Raman spectral analyses of amino acids in life processes
Lianxin Xin, Jie Hou, Aleem Sayles, Jian Zhao, Aristides Marcano, Hui Xia, Jun Ren
Author Affiliations +
Abstract
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.
Conference Presentation
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Lianxin Xin, Jie Hou, Aleem Sayles, Jian Zhao, Aristides Marcano, Hui Xia, and Jun Ren "Raman spectral analyses of amino acids in life processes", Proc. SPIE 10885, Optical Diagnostics and Sensing XIX: Toward Point-of-Care Diagnostics, 108850O (20 February 2019); https://doi.org/10.1117/12.2509883
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KEYWORDS
Raman spectroscopy

Molecules

Chemistry

Proteins

Computer simulations

Computing systems

Molecular electronics

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