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Molecules 2017, 22(10), 1730; doi:10.3390/molecules22101730

NIR Rapid Assessments of Blumea balsamifera (Ai-na-xiang) in China

1
Tropical Crops Genetic Resources Institute, Chinese Academy of Tropical Agricultural Sciences, Danzhou 571737, China
2
School of Pharmacy, Shihezi University, Shihezi 832002, China
3
Key Laboratory of Xinjiang Plant Resources and Utilization, Ministry of Education, Shihezi 832002, China
4
School of Chinese Material Medica, Beijing University of Chinese Medicine, Beijing 100029, China
5
National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, China
6
Center for Post-Doctoral Research, China Academy of Chinese Medical Sciences, Beijing 100700, China
These authors contribute equally to this work.
*
Authors to whom correspondence should be addressed.
Received: 21 August 2017 / Revised: 11 October 2017 / Accepted: 13 October 2017 / Published: 16 October 2017
(This article belongs to the Section Green Chemistry)
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Abstract

Blumea balsamifera (Ai-na-xiang) is used as an important plant source of natural borneol, which is widely used in the pharmaceutical industry. The aim of this study was to establish the methods based on near infrared (NIR) spectroscopy for determining the geographical origin of B. balsamifera, as well as developing a method for the quantitative rapid analysis of the active pharmaceutical ingredients (APIs). A total of 109 samples were collected from China in 2013 and arbitrarily divided into calibration and prediction sets using the Kennard–Stone algorithm. The l-borneol and total flavone contents of the samples were measured by gas chromatography and ultraviolet-visible spectroscopy, respectively. The NIR spectra were acquired using an integrating sphere and a partial least squares (PLS) model was built using the optimum wavelength regions, which were selected using a synergy interval partial least-squares (SiPLS) algorithm. The root mean square errors of prediction of the l-borneol and total flavone models were 0.0779 and 2.2694 mg/g, with R2 of 0.9069 and 0.8013, respectively. A discriminant model to determine the geographical origin of B. balsamifera (Guizhou and Hainan) was also established using a partial least squares discriminant analysis method with an optimum pretreatment method. The prediction accuracy rate of the model was 100%. NIR spectroscopy can be used as a reliable and environmentally friendly method to determine the API and the origin of different B. balsamifera samples. View Full-Text
Keywords: Blumea balsamifera; NIR; l-borneol; total flavone; rapid assessments; green chemistry Blumea balsamifera; NIR; l-borneol; total flavone; rapid assessments; green chemistry
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Yu, F.-L.; Zhao, N.; Wu, Z.-S.; Huang, M.; Wang, D.; Zhang, Y.-B.; Hu, X.; Chen, X.-L.; Huang, L.-Q.; Pang, Y.-X. NIR Rapid Assessments of Blumea balsamifera (Ai-na-xiang) in China. Molecules 2017, 22, 1730.

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