title: Fast determination of two atractylenolides in Rhizoma Atractylodis Macrocephalae by Fourier transform near-infrared spectroscopy with partial least squares.
abstract: Rhizoma Atractylodis Macrocephalae (RAM) is a commonly used food and traditional Chinese medicine (TCM), which traditionally strengthens the spleen, benefits vital energy, eliminates dampness, and promotes hidroschesis. Its primary effective constituents are polysaccharides and volatile oil, whose main components are atractylenolide I and III. Fourier transform near-infrared spectroscopy (FT-NIR) is widely used in TCM research. However, determination of atractylenolides in RAM using FT-NIR has not been described. In this study, a new method for the determination of atractylenolides I and III in RAM by NIR was established. The spectral characteristics of atractylenolides I and III were obtained by second derivative multiple scattering correction, and its chart to the original absorbance spectra. Additionally, in combination with the partial least squares (PLS) algorithm, the calibration process was performed for the quantitation of the samples. The root mean square error of cross-validation of the PLS models for atractylenolides I and III was 0.0387 and 0.0358, and the determination coefficient of quantitative models was 96.63 and 96.16, respectively. This study demonstrated that NIR spectroscopy can be used to analyze quickly and efficiently the contents of atractylenolides I and III in RAM.
authors.affiliation: The Research Center for the State Key Laboratory of Subtropical Silviculture, Zhejiang A & F University, Hangzhou 311300, China.
authors.forename: Qing-Song
authors.initials: QS
authors.lastname: Shao
authors.affiliation: The Research Center for the State Key Laboratory of Subtropical Silviculture, Zhejiang A & F University, Hangzhou 311300, China.
authors.forename: Ai-lian
authors.initials: AL
authors.lastname: Zhang
authors.affiliation: The Research Center for the State Key Laboratory of Subtropical Silviculture, Zhejiang A & F University, Hangzhou 311300, China.
authors.forename: Wen-Wen
authors.initials: WW
authors.lastname: Ye
authors.affiliation: Zhejiang University, Hangzhou 310058, China.
authors.forename: Hai-Peng
authors.initials: HP
authors.lastname: Guo
authors.affiliation: The Research Center for the State Key Laboratory of Subtropical Silviculture, Zhejiang A & F University, Hangzhou 311300, China. Electronic address: hurh57@163.com.
authors.forename: Run-Huai
authors.initials: RH
authors.lastname: Hu
mesh_terms: D018680:Cholinergic Antagonists / Q000032:analysis*; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D007783:Lactones / Q000032:analysis*; D016018:Least-Squares Analysis; D012680:Sensitivity and Specificity; D012717:Sesquiterpenes / Q000032:analysis*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D019265:Spectroscopy, Near-Infrared / Q000379:methods
chemical_list: D018680:Cholinergic Antagonists; D004365:Drugs, Chinese Herbal; D007783:Lactones; D012717:Sesquiterpenes; C424804:atractylenolide I; C424802:atractylenolide III
keywords: Atractylenolide I; Atractylenolide III; FT-NIR; Partial least squares method; Rhizoma Atractylodis Macrocephalae