title: Metabolomic study of raw and processed Atractylodes macrocephala Koidz by LC-MS.
abstract: Bai-Zhu, the dried rhizome of Atractylodes macrocephala Koidz (AMK), is widely used as a tonic herbal in eastern Asia. It is commonly used as prepared slices in clinic by stir-frying with wheat bran (processed AMK). In the theories of traditional Chinese medicine (TCM), Bai-Zhu possesses significantly different therapeutic effects before and after processing. However, the molecular mechanics of this processing is still unknown. In this paper, the strategy of metabolomics was employed to investigate the changes of chemical constituents in Atractylodes macrocephala Koidz after processing. Meanwhile, the cell activity test variation of processed and unprocessed medicine was used to interpret the processing mechanism of AMK. Using ultra-performance liquid chromatography quadrupole time of flight mass spectrometry (UPLC-QTOF/MS) with the method of multivariate statistic analyses including principal component analysis (PCA) and partial least square-discriminant analysis (PLS-DA), atractylenolide I, atractylenolide II, atractylenolide III, atractylenolide VI, 7-hydroxycoumarin, 8-β-methoxy atractylenolide I and Selina-4 (14), 7 (11)-dien-8-one were rapidly explored as the potential chemical markers of raw and processed AMK, respectively. Furthermore, it could be speculated that the processing mechanism of AMK was to increase the content of atractylenolide III which could strengthen the effect on gastrointestinal function.
authors.affiliation: School of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, China.
authors.forename: Guo-Shun
authors.initials: GS
authors.lastname: Shan
authors.affiliation: Oil Crops Research Institute, Chinese Academy of Agricultural Sciences, Wuhan 430062, China.
authors.forename: Liang-Xiao
authors.initials: LX
authors.lastname: Zhang
authors.affiliation: Xinglin College, Liaoning University of Traditional Chinese Medicine, Shenyang 110167, China.
authors.forename: Qi-Miao
authors.initials: QM
authors.lastname: Zhao
authors.affiliation: Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116623, China.
authors.forename: Hong-Bin
authors.initials: HB
authors.lastname: Xiao
authors.affiliation: Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116623, China.
authors.forename: Rong-Jie
authors.initials: RJ
authors.lastname: Zhuo
authors.affiliation: School of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, China.
authors.forename: Gang
authors.initials: G
authors.lastname: Xu
authors.affiliation: Medical Research Institute of Liaoning Province, Shenyang 110034, China.
authors.forename: Hong
authors.initials: H
authors.lastname: Jiang
authors.affiliation: School of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, China; Oil Crops Research Institute, Chinese Academy of Agricultural Sciences, Wuhan 430062, China.
authors.forename: Xian-Min
authors.initials: XM
authors.lastname: You
authors.affiliation: School of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, China. Electronic address: jiatzh@126.com.
authors.forename: Tian-Zhu
authors.initials: TZ
authors.lastname: Jia
mesh_terms: D031174:Atractylodes / Q000737:chemistry* / Q000378:metabolism*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D016002:Discriminant Analysis; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D007783:Lactones / Q000737:chemistry; D013058:Mass Spectrometry / Q000379:methods; D008516:Medicine, Chinese Traditional / Q000379:methods; D055432:Metabolomics / Q000379:methods; D025341:Principal Component Analysis / Q000379:methods; D027343:Rhizome / Q000737:chemistry; D012717:Sesquiterpenes / Q000737:chemistry; D014468:Umbelliferones / Q000737:chemistry
chemical_list: D004365:Drugs, Chinese Herbal; D007783:Lactones; D012717:Sesquiterpenes; D014468:Umbelliferones; C424804:atractylenolide I; C458582:atractylenolide II; C424802:atractylenolide III; C031477:7-hydroxycoumarin
keywords: Atractylodes macrocephala Koidz; Chemical markers; Multivariate statistical analysis; Processing mechanism; Ultra performance liquid chromatography tandem time of flight mass spectrometry