文献类型：期刊文献

英文题名：Broadband Terahertz Spectroscopy and Weak Interactions of Adenosine with Vibrational Mode Analysis

作者：Zhang, Jing[1,2,3];Zhu, Zhongjie[2];Wu, Yu[2,3];Ji, Te[2];Wang, Jie[2];Zhu, Huachun[2];Peng, Weiwei[2];Chen, Min[2];Li, Shaoping[1];Zhao, Hongwei[2,3]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[2]Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai 201210, Peoples R China;[3]Chinese Acad Sci, Shanghai Inst Appl Phys, Key Lab Interfacial Phys & Technol, Shanghai 201800, Peoples R China

年份：2023

卷号：44

期号：11-12

起止页码：814

外文期刊名：JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES

收录：;EI(收录号：20234314939250);WOS:【SCI-EXPANDED(收录号:WOS:001085919400001)】；

基金：The authors thank the staff of beamlines BL06B and BL17B at Shanghai Synchrotron Radiation Facilities (SSRF) for providing the beam time.

语种：英文

外文关键词：Adenosine; Terahertz spectroscopy; Resonant coupling; Hydrogen bonds; Weak interactions

摘要：Adenosine, as a basic nucleoside element and neurotransmitter, plays a variety of roles in regulating human biological functions. Its conformational state and preference are significant for the biological activities. In this work, terahertz (THz) fingerprint spectrum of adenosine is obtained by a broadband air-plasma THz time-domain spectroscopy system in the range of 0.5 similar to 13 THz. The density function theory (DFT) calculation is performed to analyze the vibrational properties of adenosine. The intra- and intermolecular weak interactions related to the vibrational modes are revealed and visualized by reduced density gradient (RDG). The results show that the different absorption peaks in the THz spectrum correspond to molecular specific vibration. The intra- and intermolecular vibrations of adenosine exhibit tight coupling. Hydrogen bonds make important contributions to the vibrations in the THz band. The deformation of the purine ring and different vibrations of the ribose group directly influence the structural changes of the nucleoside and intermolecular recognitions. This research will help to understand the conformational preferences of adenosine and the resonant response to THz electromagnetic waves.