Raman spectral analyses of amino acids in life processes
Raman spectral analyses of amino acids in life processes
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DOI：
10.1117/12.2509883
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发表时间：
2019-02
期刊：
影响因子：
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通讯作者：
Lianxin Xin;J. Hou;Aleem Sayles;Jian Zhao;A. Marcano;Hui Xia;Jun Ren
中科院分区：
文献类型：
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作者：
Lianxin Xin;J. Hou;Aleem Sayles;Jian Zhao;A. Marcano;Hui Xia;Jun Ren
氨基酸是多肽和蛋白质的基本“构建块”，在所有物种的生理过程中起着重要作用。在这项研究中，我们使用通用原子和分子电子结构系统（GAMESS）和高斯（Gaussian）模拟了甘氨酸、酪氨酸和苯丙氨酸的拉曼光谱，这两种计算代码可以计算分子的电子和振动特性。通过我们的工作，确定了带有N-H、O-H键和苯环的强带。我们的工作揭示了氨基酸分子间结合在生命和生理过程中的重要性，包括代谢、信号转导和神经传递等。
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.