Rapid discrimination of geographical origin and evaluation of antioxidant activity of Salvia miltiorrhiza var. alba by Fourier transform near infrared spectroscopy.

Radix Salvia miltiorrhiza Bge. var. alba C.Y. Wu and H.W. Li and Radix S. miltrorrhiza belong to the same genus. S. miltiorrhiza var. alba has a unique effectiveness for thromboangiitis besides therapeutical efficay of S. miltrorrhiza. It exhibits antioxidant activity (AA), while its quality and efficacy also vary with geographic locations. Therefore, a rapid and nondestructive method based on Fourier transform near infrared spectroscopy (FT-NIRS) was developed for discrimination of geographical origin and evaluation of AA of S. miltiorrhiza var. alba. The discrimination of geographical origin was achieved by using discriminant analysis and the accuracy was 100%. Partial least squares (PLS) regression was employed to establish the model for evaluation of AA by NIRS. The spectral regions were selected by interval PLS (i-PLS) method. Different pre-treated methods were compared for the spectral pre-processing. The final optimal results of PLS model showed that correlation coefficients in the calibration set (Rc) and the prediction set (Rp), root mean square error of prediction (RMSEP) and residual prediction deviation (RPD) were 0.974, 0.950, 0.163 mg mL(-1) and 2.66, respectively. The results demonstrated that NIRs combined with chemometric methods could be a rapid and nondestructive tool to discriminate geographical origin and evaluate AA of S. miltiorrhiza var. alba. The developed NIRS method might have a potential application to high-throughput screening of a great number of raw S. miltiorrhiza var. alba samples for AA.

[1]  T. Cheng.  Cardiovascular effects of Danshen. , 2007, International journal of cardiology.

[2]  Weijie Zhao,et al.  Rapid quantification of flavonoids in propolis and previous study for classification of propolis from different origins by using near infrared spectroscopy , 2012 .

[3]  P. Williams,et al.  Prediction of pork quality with near infrared spectroscopy (NIRS) 2. Feasibility and robustness of NIRS measurements under production plant conditions. , 2012, Meat science.

[4]  Haibin Qu,et al.  Rapid quantification of phenolic acids in radix Salvia miltiorrhiza extract solutions by FT-NIR spectroscopy in transflective mode. , 2010, Journal of pharmaceutical and biomedical analysis.

[5]  C. Berset,et al.  Use of a Free Radical Method to Evaluate Antioxidant Activity , 1995 .

[6]  Jinsong Bao,et al.  Nondestructive prediction of total phenolics, flavonoid contents, and antioxidant capacity of rice grain using near-infrared spectroscopy. , 2008, Journal of agricultural and food chemistry.

[7]  Marcelo Blanco,et al.  NIR spectroscopy: a rapid-response analytical tool , 2002 .

[8]  Antoine Champagne,et al.  NIR determination of major constituents in tropical root and tuber crop flours. , 2009, Journal of agricultural and food chemistry.

[9]  Matthew Clark,et al.  The Probability of Chance Correlation Using Partial Least Squares (PLS) , 1993 .

[10]  M. S. Blois,et al.  Antioxidant Determinations by the Use of a Stable Free Radical , 1958, Nature.

[11]  Wang BaoQing,et al.  Salvia miltiorrhiza: Chemical and pharmacological review of a medicinal plant , 2010 .

[12]  Anne-Laure Boulesteix,et al.  Partial least squares: a versatile tool for the analysis of high-dimensional genomic data , 2006, Briefings Bioinform..

[13]  Yongjiang Wu,et al.  In-line monitoring of extraction process of scutellarein from Erigeron breviscapus (vant.) Hand-Mazz based on qualitative and quantitative uses of near-infrared spectroscopy. , 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[14]  S. Wold,et al.  PLS regression on wavelet compressed NIR spectra , 1998 .

[15]  G. Ren,et al.  Simultaneous quantification of ginsenosides in American ginseng (Panax quinquefolium) root powder by visible/near-infrared reflectance spectroscopy. , 1999, Journal of agricultural and food chemistry.

[16]  C. Sánchez-Moreno.  Review: Methods Used to Evaluate the Free Radical Scavenging Activity in Foods and Biological Systems , 2002 .

[17]  Zou Xiaobo,et al.  Variables selection methods in near-infrared spectroscopy. , 2010, Analytica chimica acta.

[18]  Cheng-Wen Chang,et al.  NEAR-INFRARED REFLECTANCE SPECTROSCOPIC ANALYSIS OF SOIL C AND N , 2002 .

[19]  D. Massart,et al.  The influence of data pre-processing in the pattern recognition of excipients near-infrared spectra. , 1999, Journal of Pharmaceutical and Biomedical Analysis.

[20]  S. Engelsen,et al.  Interval Partial Least-Squares Regression (iPLS): A Comparative Chemometric Study with an Example from Near-Infrared Spectroscopy , 2000 .

[21]  M. Murkovic,et al.  Detection and activity evaluation of radical scavenging compounds by using DPPH free radical and on-line HPLC-DPPH methods , 2002 .

[22]  P. Geladi.  Notes on the history and nature of partial least squares (PLS) modelling , 1988 .

[23]  P. Patnaik,et al.  Dean's Analytical Chemistry Handbook , 2004 .

[24]  M. Whiteman,et al.  Antioxidants in Chinese herbal medicines: a biochemical perspective. , 2004, Natural product reports.

[25]  Jiewen Zhao,et al.  Comparisons of different regressions tools in measurement of antioxidant activity in green tea using near infrared spectroscopy. , 2012, Journal of pharmaceutical and biomedical analysis.

[26]  Soo‐Ki Kim,et al.  Antioxidant activity and free radical scavenging capacity between Korean medicinal plants and flavonoids by assay-guided comparison , 2002 .

[27]  Wouter Saeys,et al.  Potential for Onsite and Online Analysis of Pig Manure using Visible and Near Infrared Reflectance Spectroscopy , 2005 .

[28]  L. A. Stone,et al.  Computer Aided Design of Experiments , 1969 .