Back to Search
Start Over
NIR Rapid Assessments of Blumea balsamifera (Ai-na-xiang) in China
- Source :
- Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry, Molecules; Volume 22; Issue 10; Pages: 1730, Molecules, Vol 22, Iss 10, p 1730 (2017)
- Publication Year :
- 2017
-
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.
- Subjects :
- Analytical chemistry
Pharmaceutical Science
Asteraceae
01 natural sciences
Article
Analytical Chemistry
Borneol
lcsh:QD241-441
chemistry.chemical_compound
lcsh:Organic chemistry
Drug Discovery
Partial least squares regression
Calibration
Physical and Theoretical Chemistry
Least-Squares Analysis
Mathematics
Blumea balsamifera
Chromatography
Spectroscopy, Near-Infrared
l-borneol
rapid assessments
biology
010405 organic chemistry
green chemistry
010401 analytical chemistry
Organic Chemistry
Near-infrared spectroscopy
Discriminant Analysis
Green Chemistry Technology
NIR
Linear discriminant analysis
biology.organism_classification
Flavones
total flavone
0104 chemical sciences
Integrating sphere
chemistry
Chemistry (miscellaneous)
Molecular Medicine
Gas chromatography
Algorithms
Subjects
Details
- ISSN :
- 14203049
- Volume :
- 22
- Issue :
- 10
- Database :
- OpenAIRE
- Journal :
- Molecules (Basel, Switzerland)
- Accession number :
- edsair.doi.dedup.....9ea80f67d16ea16ea08a6730d0a99fea