title: Multi-responses extraction optimization combined with high-performance liquid chromatography-diode array detection-electrospray ionization-tandem mass spectrometry and chemometrics techniques for the fingerprint analysis of Aloe barbadensis Miller.
abstract: A quality control strategy using high-performance liquid chromatography-diode array detector-electrospray ionization-tandem mass spectrometry (HPLC-DAD-ESI-MS/MS) coupled with chemometrics analysis was proposed for Aloe barbadensis Miller. Firstly, the extraction conditions including methanol concentration, extraction time and solvent-to-material ratio were optimized by multi-responses optimization based on response surface methodology (RSM). The optimum conditions were achieved by Derringer's desirability function and experimental validation implied that the established model exhibited favorable prediction ability. Then, HPLC fingerprint consisting of 27 common peaks was developed among 15 batches of A. barbadensis samples. 25 common peaks were identified using HPLC-DAD-ESI-MS/MS method by their spectral characteristics or comparison with the authentic standards. Chemometrics techniques including similarity analysis (SA), principal components analysis (PCA) and hierarchical clustering analysis (HCA) were implemented to classify A. barbadensis samples. The results demonstrated that all A. barbadensis samples shared similar chromatographic patterns as well as differences. These achievements provided an effective, reliable and comprehensive quality control method for A. barbadensis.
authors.affiliation: School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, PR China.
authors.forename: Jia-Sheng
authors.initials: JS
authors.lastname: Zhong
authors.affiliation: School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, PR China. Electronic address: jinzhiwan2004@aliyun.com.
authors.forename: Jin-Zhi
authors.initials: JZ
authors.lastname: Wan
authors.affiliation: School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, PR China.
authors.forename: Wen-Jing
authors.initials: WJ
authors.lastname: Ding
authors.affiliation: Analysis and Testing Center, Chinese Academy of Tropical Agricultural Sciences, Haikou 571101, PR China; Hainan Provincial Key Laboratory of Quality and Safety for Tropical Fruits and Vegetables, Haikou 571101, PR China.
authors.forename: Xiao-Fang
authors.initials: XF
authors.lastname: Wu
authors.affiliation: School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, PR China. Electronic address: xiezy2074@yahoo.com.
authors.forename: Zhi-Yong
authors.initials: ZY
authors.lastname: Xie
mesh_terms: D000504:Aloe / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D010936:Plant Extracts / Q000737:chemistry*; D025341:Principal Component Analysis; D011786:Quality Control; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods; D053719:Tandem Mass Spectrometry / Q000379:methods
chemical_list: D010936:Plant Extracts
keywords: Aloe barbadensis Miller; Chemometrics; Fingerprint; HPLC-DAD–ESI-MS/MS; Multi-responses optimization