文献类型：期刊文献

英文题名：Broadband terahertz recognizing conformational characteristics of a significant neurotransmitter γ-aminobutyric acid

作者：Cheng, Chao[1,2,3];Zhu, Zhongjie[1,3];Li, Shaoping[2];Ren, Guanhua[1,3,4,5];Zhang, Jianbing[1,3];Cong, Haixia[3];Peng, Yan[6];Han, Jiaguang[4,5];Chang, Chao[7];Zhao, Hongwei[1,3]

机构：[1]Chinese Acad Sci, Shanghai Adv Res Inst, Zhangjiang Lab, Shanghai 201210, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[3]Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China;[4]Tianjin Univ, Minist Educ, Ctr Terahertz Waves, Tianjin 300072, Peoples R China;[5]Tianjin Univ, Minist Educ, Coll Precis Instrument & Optoelect Engn, Key Lab Optoelect Informat & Technol, Tianjin 300072, Peoples R China;[6]Univ Shanghai Sci & Technol, Shanghai Key Lab Modern Opt Syst, 516 Jungong Rd, Shanghai 200093, Peoples R China;[7]Natl Innovat Inst Def Technol, Adv Interdisciplinary Technol Res Ctr, Beijing 100071, Peoples R China

年份：2019

卷号：9

期号：35

起止页码：20240

外文期刊名：RSC ADVANCES

收录：;EI(收录号：20192807153276);WOS:【SCI-EXPANDED(收录号:WOS:000474266800038)】；

基金：This work was supported by the Main Direction Program of Knowledge Innovation and Open Project Program of Key Laboratory of Interfacial Physics and Technology, Chinese Academy of Sciences (No. Y627041011), the National Natural Science Foundation of China (Grants No. 51677145) and the National Defense Science and Technology Innovation Special Zone.

语种：英文

外文关键词：Molecules - Amino acids - Density functional theory - Terahertz spectroscopy - Time domain analysis - Terahertz waves - Neurophysiology

摘要：gamma-Aminobutyric acid (GABA) is the chief inhibitory neurotransmitter in the central nervous system, its conformational behavior is critical for selective biological functions and the process of signal transmission. Although this neuroactive molecule has been extensively studied, its vibrational properties related to the conformation and intermolecular interactions in the terahertz (THz) band have not been identified experimentally yet. In this study, we applied a broadband THz time-domain spectroscopy (THz-TDS) system from 0.5 to 18 THz to characterize a unique THz fingerprint of GABA. The density functional theory calculation results agree well with the THz experimental spectrum. The study shows that the vibrational modes of GABA at 1.15 and 1.39 THz originate from distinct collective vibrations. The absorptions at the higher THz frequencies also carry part of collective vibrations, but more reflect the specific and local vibrational information, including the skeleton deformation and the rocking of the functional groups, which are closely associated with the conformation and flexibility of GABA. This study may help to understand the conformational transitions of neurotransmitter molecules and the resonant response to THz waves.