Rapid and Simultaneous Determination of Three Active Components in Raw and Processed Root Samples of Scutellaria baicalensis by Near-infrared Spectroscopy

Abstract

Motivated by the wide use of Scutellariae Radix (SR) in the food and pharmaceutical industries, a rapid and non-destructive near-infrared spectroscopy (NIRS) method was developed for the simultaneous analysis of three main active components in raw SR and SR processed by stir-frying with wine. From seven geographical areas, 58 samples were collected. The reference contents for the SR components baicalin, baicalein, and wogonin were determined by high-performance liquid chromatography. Two multivariate analysis methods, partial least-squares (PLS) regression as a linear regression method and artificial neural networks (ANN) as a nonlinear regression method, were applied to the NIR data, and their results were compared. In the PLS model, different model parameters (i.e., 11 spectral pre-treatment methods), spectral region, and latent variables were investigated to optimize the calibration model; additionally, the ANN model was applied with five different spectral pre-treatment methods and six algorithms. For the optimal model parameters, the correlation coefficients of the calibration set for baicalin, baicalein, and wogonin were 0.9979, 0.9786, and 0.9773, respectively; the correlation coefficients of the prediction set were 0.9756, 0.9843, and 0.9592, respectively; the root mean square error of validation values were 0.215, 0.321, and 0.174, respectively. The optimal NIR models were then employed to analyze the effects of processing and geographical regions on analyte contents. The established NIR methods were robust, accurate, and reproducible. NIRS may be a promising approach for the routine screening and quality control of traditional Chinese medicines.

Key words

near-infrared spectroscopy - Scutellaria baicalensis - Lamiaceae - partial least squares - artificial neural networks - quality control

^* Xue Jintao and Yang Quanwei contributed equally to this work.

• References

• 1 Lim BO, Choue RW, Lee HY. Effect of the flavonoid components obtained from Scutellaria Radix on the histamine, immunoglobulin E and lipid peroxidation of spleen lymphocytes of Sprague-Dawley rats. Biosci Biotechnol Biochem 2003; 67: 1126-1129
• 2 Wang F, Wang B, Wang L, Xiong ZY, Gao W, Li P, Li HJ. Discovery of discriminatory quality control markers for Chinese herbal medicines and related processed products by combination of chromatographic analysis and chemometrics methods: Radix Scutellariae as a case study. J Pharm Biomed Anal 2017; 138: 70-79
• 3 Li C, Lin G, Zuo Z. Pharmacological effects and pharmacokinetics properties of Radix Scutellariae and its bioactive flavones. Biopharm Drug Dispos 2011; 32: 427-445
• 4 Seok JK, Kwak JY, Choi GW, An SM, Kwak JH, Seo HH, Suh HJ, Boo YC. Scutellaria Radix extract as a natural UV protectant for human skin. Phytother Res 2016; 30: 374-379
• 5 Park CH, Shin MR, An BK, Joh HW, Lee JC, Roh SS, Yokozawa T. Heat-processed Scutellariae Radix protects hepatic inflammation through the amelioration of oxidative stress in lipopolysaccharide-induced mice. Am J Chinese Med 2017; 45: 1-20
• 6 Zhang L, Zhang RW, Li Q, Lian JW, Liang J, Chen XH, Bi KS. Development of the fingerprints for the quality evaluation of Scutellariae Radix by HPLC-DAD and LC-MS-MS. Chromatographia 2007; 66: 13-20
• 7 Feng Z, Zhou J, Shang X, Kuang G, Han J, Lu L, Zhang L. Comparative research on stability of baicalin and baicalein administrated in monomer and total flavonoid fraction form of Radix scutellariae in biological fluids in vitro . Pharm Biol 2017; 55: 1177-1184
• 8 Yu H, Chang JS, Kim SY, Kim YG, Choi HK. Enhancement of solubility and dissolution rate of baicalein, wogonin and oroxylin A extracted from Radix scutellariae. Int J Pharm 2017; 528: 602-610
• 9 Escamilla MN, Sanz FR, Li H, Schönbichler SA, Yang B, Bonn GK, Huck CW. Rapid determination of baicalin and total baicalein content in Scutellariae radix by ATR-IR and NIR spectroscopy. Talanta 2013; 1055 – 1056: 304-310
• 10 Zhang WJ, Dong CL, Wang JY, He X, Yang XL, Fu YF, Zhang CF, Li F, Wang CZ, Yuan CS. Thermal effects on the dissolution enhancement of Radix scutellariae by wine-processing. Appl Therm Eng 2016; 103: 522-527
• 11 Wang W, Xue J, Li K, Hu D, Huang G, Ye L. Dynamic predictive models of five alkaloids in Coptis during the process of stir-frying with wine using near-infrared spectroscopy. Int J Food Prop 2018; 20: 644-653
• 12 Yi T, Yingshan D, Dandan S, Weidong L, Baochang C. UHPLC-MS/MS quantification combined with chemometrics for the comparative analysis of different batches of raw and wine-processed Dipsacus asper . J Sep Sci 2017; 40: 1686-1693
• 13 Tao Y, Ren Y, Li W, Cai B, Di L, Shi L, Hu L. Comparative pharmacokinetic analysis of extracts of crude and wine-processed Dipsacus asper in rats by a sensitive ultra performance liquid chromatography-tandem mass spectrometry approach. J Chromatogr B 2016; 1036 – 1037: 33-41
• 14 Sun G, Shi C. The overall quality control of Radix Scutellariae by capillary electrophoresis fingerprint. J Chromatogr Sci 2008; 46: 454-460
• 15 Islama MN, Chung HJ, Kim DH, Yoo HH. A simple isocratic HPLC method for the simultaneous determination of bioactive components of Scutellariae Radix extract. Nat Prod Res 2012; 26: 1957-1962
• 16 Jintao X, Yufei L, Liming Y, Chunyan L, Quanwei Y, Weiying W, Yun J, Minxiang Z, Peng L. Rapid and simultaneous analysis of five alkaloids in four parts of Coptidis Rhizoma by near-infrared spectroscopy. Spectrochim Acta A 2018; 188: 611-618
• 17 Goodarzi M, Sharma S, Ramon H, Saeys W. Multivariate calibration of NIR spectroscopic sensors for continuous glucose monitoring. Trend Anal Chem 2015; 67: 147-158
• 18 Goodarzi M, Saeys W. Selection of the most informative near infrared spectroscopy wavebands for continuous glucose monitoring in human serum. Talanta 2016; 146: 155-165
• 19 Kirchler CG, Pezzei CK, Beć KB, Mayr S, Ishigaki M, Ozaki Y, Huck CW. Critical evaluation of spectral information of benchtop vs. portable near-infrared spectrometers: quantum chemistry and two-dimensional correlation spectroscopy for a better understanding of PLS regression models of the rosmarinic acid content in Rosmarini folium . Analyst 2017; 142: 455-464
• 20 Kirchler CG, Pezzei CK, Beć KB, Henn R, Ishigaki M, Ozaki Y, Huck CW. Critical evaluation of NIR and ATR-IR spectroscopic quantifications of rosmarinic acid in Rosmarini folium supported by quantum chemical calculations. Planta Med 2017; 83: 1076-1084
• 21 Huck CW. Advances of infrared spectroscopy in natural product research. Phytochem Lett 2015; 11: 384-393
• 22 Qiao T, Ren J, Craigie C, Zabalza J, Maltin C, Marshall S. Quantitative prediction of beef quality using visible and NIR spectroscopy with large data samples under industry conditions. J Appl Spectrosc 2015; 82: 137-144
• 23 Xue J, Chen H, Xiong D, Huang G, Ai H, Liang Y, Yan X, Gan Y, Chen C, Chao R, Ye L. Noninvasive measurement of glucose in artificial plasma with near-infrared and Raman spectroscopy. Appl Spectrosc 2014; 68: 428-433
• 24 Xue J, Wu C, Wang L, Jiang S, Huang G, Zhang J, Wen S, Ye L. Dynamic prediction models for alkaloid content using NIR technology for the study and online analysis of parching in Areca Seed. Food Chem 2011; 126: 725-730
• 25 Pezzei CK, Schönbichler SA, Kirchler CG, Schmelzer J, Hussain S, Huck-Pezzei VA, Popp M, Krolitzek J, Bonn GK, Huck CW. Application of benchtop and portable near-infrared spectrometers for predicting the optimum harvest time of Verbena officinalis . Talanta 2017; 169: 70-76
• 26 Guo LP, Huang LQ, Zhang XP, Bittner L, Pezzei C, Pallua J, Schönbichler S, Huck-Pezzei VA, Bonn GK, Huck CW. Application of near-infrared spectroscopy (NIRS) as a tool for quality control in traditional Chinese medicine (TCM). Curr Bioact Compd 2011; 7: 75-84
• 27 Heigl N, Greiderer A, Petter CH, Kolomiets O, Siesler HW, Ulbricht M, Bonn GK, Huck CW. Simultaneous determination of the micro-, meso-, and macropore size fractions of porous polymers by a combined use of Fourier transform near-infrared diffuse reflection spectroscopy and multivariate techniques. Anal Chem 2008; 80: 8493-8500
• 28 Li H, He J, Li F, Zhang Z, Li R, Su J, Zhang J, Yang B. Application of NIR and MIR spectroscopy for rapid determination of antioxidant activity of Radix Scutellariae from different geographical regions. Phytochem Anal 2016; 27: 73-80
• 29 Xue J, Ye L, Liu Y, Li C, Chen H. Noninvasive and fast measurement of blood glucose in vivo by near infrared (NIR) spectroscopy. Spectrochim Acta A 2017; 179: 250-254
• 30 Louw L, Roux K, Tredoux A, Tomic O, Naes T, Nieuwoudt HH, van Rensburg P. Characterization of selected South African young cultivar wines using FTMIR spectroscopy, gas chromatography, and multivariate data analysis. J Agric Food Chem 2009; 57: 2623-2632