ABSTRACT
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Subject(s)
Spectroscopy, Near-Infrared/methods , Betaine , Powders , Least-Squares Analysis , Algorithms , FlavonoidsABSTRACT
OBJECTIVE：To establish HPLC fingerprint of Humulus lupulus ，and to investigate its correlation with the antioxidant activity. METHODS ：The determination was performed on Diamonsil C 18 column with mobile phase consisted of 0.1％ phosphoric acid solution-acetonitrile （gradient elution ）at the flow rate of 1.0 mL/min. The column temperature was 30 ℃，and detection wavelength was set at 358 nm，with sample size of 2 μL. Using xanthohumol as reference，HPLC fingerprints of 11 batches of H. lupulus were determined. The similarity of 11 batches of samples was evaluated by TCM Chromatographic Fingerprint Similarity Evaluation System （2012 edition）to confirm common peaks. Using scavenging rate of DPPH and ABTS free radical as pharmacodynamic indicators of antioxidant effects ，SIMCA 14.1 analysis software was used for PLSR to establish the spectra-effect relationship ，and validation test of in vitro anti-oxidation was carried out. RESULTS ：There were 19 common peaks in HPLC fingerprints of 11 batches of sample ，the similarity of which was higher than 0.830. Seven components were identified as xanthohumol，cohumulone，humulone，adhumulone，colupulone，lupulus and adlupulus. Eleven batches of H. lupulus had the ability to scavenge DPPH and ABTS free radicals. The spectrum-effect relationship showed that xanthohumol ，humulone and colupulone peaks were positively associated with its anti-oxidant ability ，and variable projection value was greater than 1. In vitro antioxidant results showed that scavenging effect of 0.1 mg/mL xanthohumol to DPPH free radicals was similar to that of 0.01 mg/mL vitamine C ，but scavenging effect of 10.0 mg/mL xanthohumol to ABTS free radical was less than that of 0.1 mg/mL vitamin C. CONCLUSIONS：Established HPLC fingerprint can be used for the quality evaluation of H. lupulus ；xanthohumol，humulone and colupulone are the main material basis for the antioxidant effect of H. lupulus
ABSTRACT
The aim of this study was to optimize Fourier transform infrared (FTIR) spectroscopy and multivariate calibrationfor the quantitative analysis of Acid orange 7 (AO-7) and Sudan II (S-II) in blusher products. The calibration andvalidation samples were made by adding known concentrations of AO-7 and S-II in the placebo of blusher cosmeticsproducts. High-performance liquid chromatography equipped with photodiode array detector at 300–650 nm wasused to determine the actual values of AO-7 and S-II. The separation of AO-7 and S-II was performed using C18column at 40oC with mobile phase of acetonitrile-water in gradient elution program. FTIR spectra of evaluatedsamples were scanned using FTIR spectrophotometer equipped with attenuated total reflectance (ATR) samplingtechnique. The correlation between actual values of AO-7 and S-II as determined using high-performance liquidchromatography and FTIR predicted values was facilitated with multivariate calibrations. The selection of calibrationmodels relied on highest r2 and lowest levels of root mean square error of calibration, root mean square error ofprediction, and root mean square error of cross validation. The optimization results showed that FTIR spectra-partialleast square regression (PLSR) using wavenumbers of 3,450–2,400 cm−1 and six factors offered the highest r2 value(r2 > 0.98) and lowest errors. FTIR with ATR technique could be used to predict AO-7 and S-II in blusher product withthe main advantage of its simplicity, rapidity, and minimum sample preparation.
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OBJECTIVE: To establish a method for predicting tablet hardness by near infrared diffuse reflection spectroscopy. METHODS: Tablet hardness value was obtained by hardness meter. Calibration model between NIR spectra and the hardness was establish by partial least squares regression (PLSR) method and BP-ANN method. RESULTS: Correlation coefficients (r), root mean squares error of cross-validation (RMSECV), and root mean square error of prediction (RMSEP) obtained by PLSR model were 0.977 8, 0.742 and 0.815 kg respectively. And the correlation coefficients of training set, monitor set and testing set by BP-ANN were 0.987 3, 0.985 6, and 0.986 8, with RSE% of 6.83%, 8.77%, and 6.69%, respectively. CONCLUSION: The prediction accuracy of BP-ANN nonlinear model is superior to the PLSR model.
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OBJECTIVE: To establish a rapid and nondestructive method to determine coating thickness of the total saponin of Radix Bupleuri enteric coated tablets by near infrared spectroscopy (NIRS) analytical technique. METHODS: Spectral pretreating methods, wavenumber selection and factors of NIRS were discussed in detail. Different modeling methods were compared and the methodology of model was investigated. RESULTS: Partial least squares regression (PLSR) was used for building the quantitative calibration model. Correlation coefficients(r), root-mean-squares error of cross-validation (RMSECV), and root mean square error of prediction (RMSEP) obtained by PLSR model were 0.9915, 3.6 and 3.24 μm respectively. CONCLUSION: Predicted results show that the established method is rapid, nondestructive, and reliable, which can be applied to the online monitor of Chinese medicine tablets coating process.