Abstract
The feasibility of near-infrared spectroscopy (NIR) to detect chlorogenic acid, luteoloside and 3,5-O-dicaffeoylquinic acid in Chrysanthemum was investigated. An NIR spectroradiometer was applied for data acquisition. The reference values of chlorogenic acid, luteoloside, and 3,5-O-dicaffeoylquinic acid of the samples were determined by high-performance liquid chromatography (HPLC) and were used for model calibration. The results of six preprocessing methods were compared. To reduce input variables and collinearity problems, three methods for variable selection were compared, including successive projections algorithm (SPA), genetic algorithm-partial least squares regression (GA-PLS), and competitive adaptive reweighted sampling (CARS). The selected variables were employed as the inputs of partial least square (PLS), back propagation-artificial neural networks (BP-ANN), and extreme learning machine (ELM) models. The best performance was achieved by BP-ANN models based on variables selected by CARS for all three chemical constituents. The values of rp2 (correlation coefficient of prediction) were 0.924, 0.927, 0.933, the values of RMSEP were 0.033, 0.018, 0.064 and the values of RPD were 3.667, 3.667, 2.891 for chlorogenic acid, luteoloside, and 3,5-O-dicaffeoylquinic acid, respectively. The results indicated that NIR spectroscopy combined with variables selection and multivariate calibration methods could be considered as a useful tool for rapid determination of chlorogenic acid, luteoloside, and 3,5-O-dicaffeoylquinic acid in Chrysanthemum.
Highlights
Chrysanthemum is a medicinal and edible cognate plant [1]
The original spectra of of Chrysanthemum samples areare shown in in that thethe trends of all samples were quite similar except the different magnitudes of the spectra reflectance
The optimal partial least square (PLS) model was achieved by the standard normal variate transformation (SNV) preprocessing for the luteoloside prediction
Summary
Chrysanthemum (the dry capitulum of Chrysanthemum morifolium Ramat) is a medicinal and edible cognate plant [1]. It was harvested in full bloom, and dried in the shade or over a fire, or dried in the sun after steaming. Modern studies show that Chrysanthemum has many biological and pharmacological characteristics including antibacterial, anti-inflammatory, antioxidant, vasodilator, hypolipidemic, and anti-tumor [2,3]. The Pharmacopoeia of the People’s Republic of China provides a standard of content of chlorogenic acid, luteoloside and 3,5-O-dicaffeoylquinic acid in Chrysanthemum [4]. Chlorogenic acid shows the activity of protecting the cardiovascular, antioxidation, antibacterial, antiviral, lipid-lowering, hypoglycemic, and liver protection [5,6]. Luteolin has anti-inflammatory, Sensors 2019, 19, 1981; doi:10.3390/s19091981 www.mdpi.com/journal/sensors
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