Vibrational frequencies of anti-diabetic drug studied by terahertz time-domain spectroscopy

被引：38

作者：

Du, S. Q. ^{[1
,2
]}

Li, H. ^{[1
,2
,3
]}

Xie, L. ^{[1
,2
]}

Chen, L. ^{[1
,2
]}

Peng, Y. ^{[1
,2
]}

Zhu, Y. M. ^{[1
,2
,4
]}

Li, H. ^{[1
,2
,3
]}

Dong, P. ^{[3
]}

Wang, J. T. ^{[3
]}

机构：

[1] Univ Shanghai Sci & Technol, Engn Res Ctr Opt Instrument & Syst, Minist Educ, Shanghai 200093, Peoples R China

[2] Univ Shanghai Sci & Technol, Shanghai Key Lab Modern Opt Syst, Shanghai 200093, Peoples R China

[3] Shanghai YangPu Geriatr Hosp, Shanghai 200090, Peoples R China

[4] Shanghai Jiao Tong Univ, Sch Microelect, Shanghai 200240, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2012年 / 100卷 / 14期

基金：

中国国家自然科学基金;

关键词：

DENSITY; EXCHANGE; SPECTRA;

D O I：

10.1063/1.3700808

中图分类号：

O59 [应用物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

By using terahertz time-domain spectroscopy, the absorption spectra of seven anti-diabetic pills have been investigated. For gliquidone, glipizide, gliclazide, and glimepiride, an obvious resonance peak is found at 1.37 THz. Furthermore, to overcome the limit of density functional theory that can analyze the normal mode frequencies of the ground state of organic material, we also present a method that relies on pharmacophore recognition, from which we can obtain the resonance peak at 1.37 THz can be attributed to the vibration of sulfonylurea group. The results indicate that the veracity of density functional theory can be increased by combining pharmacophore recognition. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3700808]

引用

页数：4

共 18 条

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