Author Affiliations
Abstract
1 School of Medicine, Zhejiang University City College, Hangzhou 310015, P. R. China
2 The No. Four People's Hospital of YuYao, Jinhua 315000, P. R. China
A technique for the determination of tannin content in traditional Chinese medicine injections (TCMI) was developed based on ultraviolet (UV) spectroscopy. Chemometrics were used to construct a mathematical model of absorption spectrum and tannin reference content of Danshen and Guanxinning injections, and the model was verified and applied. The results showed that the established UV-based spectral partial least squares regression (PLS) tannin content model performed well with a correlation coe±cient (r) of 0.952, root mean square error of calibration (RMSEC) of 0.476 μg/ml, root mean square error of validation (RMSEV) of 1.171 μg/ml, and root mean square error of prediction (RMSEP) of 0.465 μg/ml. Pattern recognition models using linear discriminant analysis (LDA) and k nearest neighbor (k-NN) classifiers based on UV spectrum could successfully classify different types of injections and different manufacturers. The established method to measure tannin content based on UV spectroscopy is simple, rapid and reliable and provides technical support for quality control of tannin in Chinese medicine injections.
Ultraviolet spectrum tannin content traditional Chinese medicine injection pattern recognition model partial least squares regression 
Journal of Innovative Optical Health Sciences
2018, 11(6): 1850034
Author Affiliations
Abstract
1 School of Medicine, Zhejiang University City College Hangzhou, Zhejiang 310015, P. R. China
2 Pharmaceutical Informatics Institute, Zhejiang University Hangzhou, Zhejiang 310058, P. R. China
As unsafe components in herbal medicine (HM), saccharides can affect not only the drug appearance and stabilization, but also the drug efficacy and safety. The present study focuses on the in-line monitoring of batch alcohol precipitation processes for saccharide removal using nearinfrared (NIR) spectroscopy. NIR spectra in the 4000–10,000-cm-1 wavelength range are acquired in situ using a transflectance probe. These directly acquired spectra allow characterization of the dynamic variation tendency of saccharides during alcohol precipitation. Calibration models based on partial least squares (PLS) regression have been developed for the three saccharide impurities, namely glucose, fructose, and sucrose. Model errors are estimated as the root-meansquare errors of cross-validation (RMSECVs) of internal validation and root-mean-square errors of prediction (RMSEPs) of external validation. The RMSECV values of glucose, fructose, and sucrose were 1.150, 1.535, and 3.067 mgmL-11, and the RMSEP values were 0.711, 1.547, and 3.740 mg  mL-11, respectively. The correlation coefficients (r) between the NIR predictive and the reference measurement values were all above 0.94. Furthermore, NIR predictions based on the constructed models improved our understanding of sugar removal and helped develop a control strategy for alcohol precipitation. The results demonstrate that, as an alternative process analytical technology (PAT) tool for monitoring batch alcohol precipitation processes, NIR spectroscopy is advantageous for both efficient determination of quality characteristics (fast, in situ, and requiring no toxic reagents) and process stability, and evaluating the repeatability.
Herbal medicine alcohol precipitation near-infrared spectroscopy saccharides removal process analytical technology 
Journal of Innovative Optical Health Sciences
2018, 11(5): 1850027

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