Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1099, Issue -, Pages 68-76Publisher
ELSEVIER
DOI: 10.1016/j.molstruc.2015.06.035
Keywords
Paeonia lactifloras; Herbal medicine; Infrared spectroscopy; Principal component regression; Discrimination
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Funding
- State Administration of Traditional Chinese Medicine of the People's Republic of China [2001ZDZX01]
- Ministry of Science and Technology of the People's Republic of China [2002BA906A29-4]
- China Postdoctoral Science Foundation [2013M530648]
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Paeonia lactiflora, a commonly used herbal medicine (HM) in Traditional Chinese Medicine (TCM), mainly has two species, Radix Paeoniae Alba (RPA) and Radix Paeoniae Rubra (RPR), for different clinical applications in TCM. For expounding the chemical profile of RPA and RPR and ensuring the clinical efficacy and safety, an infrared macro-fingerprint analysis-through-separation method integrated with statistical pattern recognition was developed to analyze and discriminate the two Paeonia lactifloras. In IR spectra, the major difference between the two was in the range of 1200-900 cm(-1): the strongest peak of RPA was at 1024 cm(-1), while that of RPR was 1049 cm(-1). The difference was magnified in second derivative spectra. The findings were further verified by investigating the separation process of total glucosides, stepwisely monitored by both of IR and UPLC-MS/MS. Simultaneously, the aqueous extracts of RPA and RPR had been separated continuously to acquire the comprehensively hierarchical chemical characteristics for undoubtedly identification and subsequently discrimination of the two herbs. Moreover, 60 batches of the two HMs (30 for each) were objectively classified by principal component regression (PCR) model based on IR macro-fingerprints. (C) 2015 Elsevier B.V. All rights reserved.
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