光散射学报, 2012, 24 (2): 186, 网络出版: 2014-01-21
鼻咽癌细胞分泌物的拉曼光谱研究
Using Raman Spectroscopy to Study the Secretion of Nasopharyngeal Carcinoma
拉曼光谱计算 纤溶酶原激活物抑制物1 谱指认 Raman spectroscopy calculation plasminogen activator inhibitor 1 spectroscopy assignments
摘要
Plasminogen Activator Inhibitor 1(纤溶酶原激活物抑制物1, 简称PAI-1)在鼻咽癌(Nasopharyngeal Carcinoma, 简称NPC)分泌物中大量存在。本文绘制了Plasminogen Activator Inhibitor 1的分子结构, 根据局部能量最低原理对其做了结构优化, 给出了空间结构参数, 然后利用DFT B3LYP/3-21G基组计算了其拉曼光谱, 并对102 cm-1至4559 cm-1区间的谱线进行指认。理论计算Plasminogen Activator Inhibitor 1的拉曼光谱将有助于鼻咽癌的临床检测技术的提高。
Abstract
Plasminogen Activator Inhibitor 1 (PAI-1) is the primary protein detected in secretory of Nasopharyngeal Carcinoma(NPC). The structure of Plasminogen Activator Inhibitor 1 has been draught and optimized by principle of the lowest energy. By base DFT B3LYP/3-21G, analyzing the relationship between its spectrum and molecular activities involved in the assignments between 102 cm-1 to 4559 cm-1. All the calculation above could promote the development of the clinical test of Nasopharyngeal Carcinoma by utilizing Raman spectroscopy technology.
高健赫, 蔡红星, 张喜和. 鼻咽癌细胞分泌物的拉曼光谱研究[J]. 光散射学报, 2012, 24(2): 186. GAO Jian-he, CAI Hong-xing, ZHANG Xi-he. Using Raman Spectroscopy to Study the Secretion of Nasopharyngeal Carcinoma[J]. The Journal of Light Scattering, 2012, 24(2): 186.
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