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DFT and Raman study of all-trans astaxanthin optical isomers

文献类型：期刊论文

作者Yao, Guohua2; Guo, Shuju3,4,5; Yu, Wenjie1,3,4,5; Muhammad, Muhammad2,6; Liu, Jianguo3,4,5; Huang, Qing2,6
刊名SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
出版日期2021-12-05
卷号262
ISSN号1386-1425
关键词All-trans astaxanthin Optical isomers Raman spectroscopy DFT Chiral
DOI10.1016/j.saa.2021.120143
通讯作者Liu, Jianguo(jgliu@scsio.ac.cn) ; Huang, Qing(huangq@ipp.ac.cn)
英文摘要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.
WOS关键词CRYSTAL-STRUCTURES ; SPECTROSCOPY ; SPECTRA ; RIBOSE
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
语种英语
出版者PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号WOS:000681651700008
资助机构National Natural Science Foundation of China ; Anhui Provincial Natural Science Foundation ; Laboratory for Marine Biology and Biotechnology, Qingdao National Laboratory for Marine Science and Technology
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/123036]  
专题中国科学院合肥物质科学研究院
通讯作者Liu, Jianguo; Huang, Qing
作者单位1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
2.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
3.Chinese Acad Sci, Qingdao 266071, Peoples R China
4.Chinese Acad Sci, Inst Oceanol, Ctr Ocean Megasci, Shandong Prov Key Lab Expt Marine Biol, Qingdao 266071, Peoples R China
5.Qingdao Natl Lab Marine Sci & Technol, Lab Marine Biol & Biotechnol, Qingdao 266071, Peoples R China
6.Univ Sci & Technol China, Grad Sch, Sci Isl Branch, Hefei 230026, Peoples R China
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.
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.
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).

入库方式： OAI收割

来源：合肥物质科学研究院

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