title: Rapid determination of baicalin and total baicalein content in Scutellariae radix by ATR-IR and NIR spectroscopy.
abstract: In this study methods for the quantification of baicalin and total baicalein in Scutellariae radix with near infrared (NIR) spectroscopy and attenuated-total-reflectance mid-infrared (ATR-IR) spectroscopy in hyphenation with multivariate analysis were developed and compared. The reference analysis was performed by high performance liquid chromatography coupled to diode array detection (HPLC-DAD). Different pretreatments like standard normal variate (SNV), multiplicative scatter correction (MSC), first and second derivative Savitzky-Golay were applied on the spectra to optimize the calibrations. A principal component analysis was performed with both spectroscopic methods to distinguish wild and cultivated samples. Quality parameters obtained for test-set calibration models of ATR-IR spectroscopy (baicalin: standard error of prediction (SEP)=1.31, ratio performance to deviation (RPD)=2.91 and R(2)=0.88; total baicalein: SEP=1.02, RPD=3.24 and R(2)=0.89) and NIR spectroscopy (baicalin: SEP=1.50, RPD=2.54 and R(2)=0.88; total baicalein: SEP=1.19, RPD=2.76 and R(2)=0.84) demonstrate that both spectroscopic techniques in combination with multivariate analysis are successful tools for the quantification of baicalin and total baicalein in Scutellariae radix, but it was found that ATR-IR spectroscopy provides higher accuracy in the given application. Furthermore it was proved that wild and cultivated samples can be distinguished by ATR-IR.
authors: University of Valencia, Dr. Moliner 50, 46100 Burjassot (Valencia), Spain.
authors: M
authors: M
authors: Navarro Escamilla
authors: F
authors: F
authors: Rodenas Sanz
authors: H
authors: H
authors: Li
authors: S A
authors: SA
authors: Schönbichler
authors: B
authors: B
authors: Yang
authors: G K
authors: GK
authors: Bonn
authors: C W
authors: CW
authors: Huck
mesh_terms: D044950:Flavanones / Q000032:analysis*; D005419:Flavonoids / Q000032:analysis*; D016018:Least-Squares Analysis; D018517:Plant Roots / Q000737:chemistry*; D025341:Principal Component Analysis; D031364:Scutellaria baicalensis; D013055:Spectrophotometry, Infrared / Q000379:methods
chemical_list: D044950:Flavanones; D005419:Flavonoids; C038044:baicalin; C006680:baicalein
keywords: ATR-IR; Baicalein; Baicalin; NIR; Scutellaria baicalensis; Scutellariae radix
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