Terahertz spectroscopy of enantiomeric and racemic pyroglutamic acid

doi:10.1016/j.saa.2019.117509

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Terahertz spectroscopy of enantiomeric and racemic pyroglutamic acid
	Wu, ZP ; Zhu, ZJ ; Cheng, C ; Zhang, JB ; Gong, Y ; Xu, MZ ; Li, SP ; Zhao, HW
刊名	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
	2020
卷号	225 页码:-
关键词	ABSORPTION-SPECTRA WAVE GENERATION POLYCRYSTALLINE VIBRATIONS CRYSTAL SUCROSE
ISSN号	1386-1425
DOI	10.1016/j.saa.2019.117509
文献子类	期刊论文
英文摘要	The low-frequency vibrational properties of D-, L- and DL-pyroglutamic acid (PGA) have been investigated with the terahertz time-domain spectroscopy (THz-TDS) from 05 to 4.5 THz. The enantiomers (D- and L-PGA) present similar absorption spectra, while the spectrum of racemate (DL-PGA) is obviously different. The temperature-dependent THz spectra of different PGA were recorded in the range of 293-83 K. The spectral changes during the cooling process suggest that D- and L-PGA undergo a structural phase transition, and no phase change of DL-PGA was found. The results indicate that THz spectroscopy is highly sensitive to the crystal structure of molecules. The density functional theory (DFT) calculations based on the crystal structures were performed to simulate the sample's THz spectra. It was demonstrated that the characteristic resonant absorption peaks of the enantiomeric and racemic PGA in the low-frequency THz region originate from the different vibrations, which corresponding to the specific structures and intermolecular interactions. The conformational diversity and fluctuation may help to understand the properties of PGA in biochemistry and functional material. (C) 2019 Elsevier B.V. All rights reserved.
语种	英语
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/33187]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	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.Tarim Univ, Key Lab Modern Agr Engn, Sch Mech & Elect Engn, Alar 843300, Peoples R China
推荐引用方式 GB/T 7714	Wu, ZP,Zhu, ZJ,Cheng, C,et al. Terahertz spectroscopy of enantiomeric and racemic pyroglutamic acid[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2020,225:-.
APA	Wu, ZP.,Zhu, ZJ.,Cheng, C.,Zhang, JB.,Gong, Y.,...&Zhao, HW.(2020).Terahertz spectroscopy of enantiomeric and racemic pyroglutamic acid.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,225,-.
MLA	Wu, ZP,et al."Terahertz spectroscopy of enantiomeric and racemic pyroglutamic acid".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 225(2020):-.