Study on the Discrimination of FTIR Spectroscopy of Gentiana Rigescens with Different Harvest Time
SHEN Yun-xia1, 2, ZHAO Yan-li1, ZHANG Ji1, JIN Hang1, WANG Yuan-zhong1*
1. Institute of Medicinal Plants, Yunnan Academy of Agricultural Sciences, Kunming 650200, China 2. College of Chinese Materia Medica, Yunnan University of Traditional Chinese Medicine, Kunming 650500, China
Abstract：The harvest time of traditional Chinese medicine (TCM) is a very essential part for the production and quality of TCM which is the prerequisite for safe and effective clinical use of TCM. It is of great importance to carry out the research of timely harvest time of TCM. With Fourier transform infrared spectroscopy (FTIR) to study harvest time of Seventy-two Gentiana Rigescens samples. First derivative, second derivative, standard normal variate, multiplicative scatter correction and Savitaky-Golay(15,3) smoothing of all original spectra were pretreated with TQ8.0 software. Samples were divided into calibration set and prediction set at the ratio of 3∶1. Principal component analysis (PCA) and partial least square discriminant analysis (PLS-DA) model were established. The result indicated that after removing noise spectrum, the spectra range was from 1 800 to 600 cm-1, the method SNV combined with SD and SG present the best result of spectra pretreatment. The contribution rates of first three principal components were 92.47% with PCA. Small differences were found for the samples harvested in May, September and October. Same spectrum range was chosen and PLS-DA was applied to establish the model. The R2 and RMSEE were 0.967 8, 0.086 0, respectively, and the prediction accuracy is 100%. The methods of PCA and PLS-DA have good ability to classify and identify different harvest time of Gentiana Rigescens. It provided a basis for the identification of different harvest time of TCM.
申云霞1, 2，赵艳丽1，张 霁1，金 航1，王元忠1*. 不同采收期滇龙胆的红外光谱鉴别研究[J]. 光谱学与光谱分析, 2016, 36(05): 1358-1362.
SHEN Yun-xia1, 2, ZHAO Yan-li1, ZHANG Ji1, JIN Hang1, WANG Yuan-zhong1*. Study on the Discrimination of FTIR Spectroscopy of Gentiana Rigescens with Different Harvest Time. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2016, 36(05): 1358-1362.
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