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Plasminogen Activator Inhibitor 1(纤溶酶原激活物抑制物1,简称PAI-1)在鼻咽癌(Nasopharyn-geal 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102cm-1至4559cm-1区间的谱线进行指认。理论计算Plasminogen Activator In-hibitor 1的拉曼光谱将有助于鼻咽癌的临床检测技术的提高。
Plasminogen Activator Inhibitor 1 (PAI-1) is abundant in nasopharyngeal carcinoma (NPC) secretions. In this paper, the molecular structure of Plasminogen Activator Inhibitor 1 has been drawn. The structure optimization of Plasminogen Activator Inhibitor 1 has been done based on the principle of local energy. The structure parameters of the Plasminogen Activator Inhibitor 1 have been drawn. The Raman spectrum of the plasmid has been calculated by DFT B3LYP / 3-21G basis set. -1 to 4559cm-1 range of lines to be identified. The theoretical calculation of the Raman spectrum of Plasminogen Activator In-hibitor 1 will be helpful for the clinical detection of NPC.