DFT and Raman study of all-trans astaxanthin optical isomers

doi:10.1016/j.saa.2021.120143

IOCAS-IR > 实验海洋生物学重点实验室

	DFT and Raman study of all-trans astaxanthin optical isomers
	Yao, Guohua 1; Guo, Shuju 2,3,4; Yu, Wenjie 2,3,4,6; Muhammad, Muhammad 1,5; Liu, Jianguo 2,3,4; Huang, Qing 1,5
	2021-12-05
发表期刊	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
ISSN	1386-1425
卷号	262 页码:8
通讯作者	Liu, Jianguo(jgliu@scsio.ac.cn) ; Huang, Qing(huangq@ipp.ac.cn)
摘要	Astaxanthin (AST) is a xanthophyll carotenoid widely distributed in aquatic animals, which has many physiological functions such as antioxidant, anti-inflammatory, anti-hypertensive and anti-diabetic activities. AST has three optical isomers, including a pair of enantiomers (3S,3'S and 3R,3'R) and a meso form (3R,3'S). Different optical isomers have differences in a variety of physiological functions. Traditionally, High Performance Liquid Chromatography (HPLC) has been used to distinguish these isomers. In this work, it was found that Raman spectroscopy can be employed to distinguish the three optical isomers. The intensities of two Raman bands at 1190 and 1215 cm(-1) of three isomers are different. Density Functional Theory (DFT) calculations are performed to analyze the spectral differences. The mainly occupied conformers of these three optical isomers are speculated and identified. (C) 2021 Elsevier B.V. All rights reserved.
关键词	All-trans astaxanthin Optical isomers Raman spectroscopy DFT Chiral
DOI	10.1016/j.saa.2021.120143
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[11775272] ; National Natural Science Foundation of China[11635013] ; National Natural Science Foundation of China[21904127] ; National Natural Science Foundation of China[11475217] ; National Natural Science Foundation of China[U1706209] ; Anhui Provincial Natural Science Foundation[1908085MB53] ; Laboratory for Marine Biology and Biotechnology, Qingdao National Laboratory for Marine Science and Technology[MS2019NO01]
WOS研究方向	Spectroscopy
WOS类目	Spectroscopy
WOS记录号	WOS:000681651700008
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.qdio.ac.cn/handle/337002/175939
专题	实验海洋生物学重点实验室
通讯作者	Liu, Jianguo; Huang, Qing
作者单位	1.Chinese Acad Sci, Hefei Inst Phys Sci, Inst Intelligent Machines, CAS Key Lab High Magnet Field & Ion Beam Phys Bio, Hefei 230031, Peoples R China 2.Chinese Acad Sci, Qingdao 266071, Peoples R China 3.Chinese Acad Sci, Inst Oceanol, Ctr Ocean Megasci, Shandong Prov Key Lab Expt Marine Biol, Qingdao 266071, Peoples R China 4.Qingdao Natl Lab Marine Sci & Technol, Lab Marine Biol & Biotechnol, Qingdao 266071, Peoples R China 5.Univ Sci & Technol China, Grad Sch, Sci Isl Branch, Hefei 230026, Peoples R China 6.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
通讯作者单位	中国科学院海洋大科学研究中心
推荐引用方式 GB/T 7714	Yao, Guohua,Guo, Shuju,Yu, Wenjie,et al. DFT and Raman study of all-trans astaxanthin optical isomers[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2021,262:8.
APA	Yao, Guohua,Guo, Shuju,Yu, Wenjie,Muhammad, Muhammad,Liu, Jianguo,&Huang, Qing.(2021).DFT and Raman study of all-trans astaxanthin optical isomers.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,262,8.
MLA	Yao, Guohua,et al."DFT and Raman study of all-trans astaxanthin optical isomers".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 262(2021):8.

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