NIR Band Assignment of Tanshinone ⅡA and Cryptotanshinone by 2D-COS Technology and Model Application Tanshinone Extract

Yan-fang PENG; Jun WANG; Zhi-sheng WU; Xiao-na LIU; Yan-jiang QIAO

doi:10.3964/j.issn.1000-0593(2022)06-1781-05

Journals >Spectroscopy and Spectral Analysis >Volume 42 >Issue 6 >Page 1781 > Article

Spectroscopy and Spectral Analysis
Vol. 42, Issue 6, 1781 (2022)

NIR Band Assignment of Tanshinone ⅡA and Cryptotanshinone by 2D-COS Technology and Model Application Tanshinone Extract

Yan-fang PENG^1、*, Jun WANG^1、1;, Zhi-sheng WU^{2、2; *;}, Xiao-na LIU^3、3;, and Yan-jiang QIAO^{2、2; *;}

Author Affiliations

¹1. Pharmacy Faculty, Hubei University of Chinese Medicine, Wuhan 430065, China

²2. School of Chinese Materia, Beijing University of Chinese Medicine, Beijing 100029, China

³3. College of Integrated Traditional Chinese Medicine and Wastern Medicine, Binzhou Medical University, Yantai 264003, China

show less

DOI: 10.3964/j.issn.1000-0593(2022)06-1781-05 Cite this Article

Yan-fang PENG, Jun WANG, Zhi-sheng WU, Xiao-na LIU, Yan-jiang QIAO. NIR Band Assignment of Tanshinone ⅡA and Cryptotanshinone by 2D-COS Technology and Model Application Tanshinone Extract[J]. Spectroscopy and Spectral Analysis, 2022, 42(6): 1781 Copy Citation Text

show less

Fig. 1. Original NIR spectra of deuterated chloroform, Tanshinone ⅡA and Cryptotanshinone solutions

Download full size | View in the Article

Two-dimensional synchronous slice spectra of deuterated chloroform, Tanshinone ⅡA and Cryptotanshinone (a) and partialenlargeddetail of slice spectra (b)

Fig. 2. Two-dimensional synchronous slice spectra of deuterated chloroform, Tanshinone ⅡA and Cryptotanshinone (a) and partialenlargeddetail of slice spectra (b)

Download full size | View in the Article

Fig. 3. Chemical structure of Tanshinone ⅡA and Cryptotanshinone

Download full size | View in the Article

Fig. 4. Original NIR spectra of Tanshinone Extract

Download full size | View in the Article

Fig. 5. Selection bands of SiPLS
(a): Tanshinone ⅡA; (b): Cryptotanshinone

Download full size | View in the Article

	取样浓度/(mg·mL^-1)
丹参酮ⅡA	-	3.56	5.15	8.33	10.05	11.55	13.47
隐丹参酮	2.27	3.77	5.17	8.51	9.97	11.54	13.23

Table 1. Concentration distribution of deuterated chloroform solution of tanshinone ⅡA and cryptotanshinone

View in the Article

	Latent factor	$R_{cal}^{2}$	RMSEC	RMSECV	$R_{pre}^{2}$	RMSEP
隐丹参酮
raw	8	0.974 0	0.003 3	0.005 4	0.930 8	0.002 9
baseline	8	0.975 7	0.003 2	0.005 3	0.949 0	0.002 5
normalize	7	0.981 9	0.002 8	0.004 1	0.973 8	0.001 8
SG	8	0.974 0	0.003 3	0.005 4	0.873 7	0.004 0
SG 1^st	4	0.965 3	0.003 9	0.005 0	0.942 9	0.002 7
SG 2^nd	3	0.980 3	0.002 9	0.005 2	0.902 7	0.003 5
SNV	7	0.980 6	0.002 9	0.004 6	0.956 5	0.002 3
丹参酮ⅡA
raw	8	0.961 2	0.005 9	0.010 5	0.651 5	0.006 6
baseline	10	0.983 3	0.003 8	0.009 5	0.797 8	0.005 1
normalize	8	0.986 0	0.003 5	0.006 9	0.796 1	0.005 1
SG	8	0.961 1	0.005 9	0.010 4	0.649 5	0.006 7
SG 1^st	8	0.992 9	0.002 5	0.005 3	0.969 3	0.002 0
SG 2^nd	4	0.985 9	0.003 5	0.005 5	0.969 8	0.002 0
SNV	7	0.982 9	0.389 6	0.005 4	0.917 1	0.003 2

Table 2. Results of Tanshinone IIA and Cryptotanshinone PLS models based on different pretreatment methods (g·g^-1)

View in the Article

	Latent factors	Calibration set			Validation set
	Latent factors	R²	RMSEC	RMSECV	R²	RMSEP
丹参酮ⅡA
SiPLS(4, 9, 10)	10	0.990 0	0.002 2	0.004 6	0.925 3	0.003 1
1 600~1 800, 1 900~2 230, 2 300~2 400	9	0.970 0	0.005 1	0.010 9	0.835 2	0.004 6
1 600~1 800	10	0.990 3	0.002 9	0.005 1	0.990 6	0.001 1
1 900~2 230	8	0.975 0	0.004 7	0.007 8	0.907 3	0.003 4
2 300~2 400	6	0.980 6	0.004 1	0.007 0	0.738 9	0.005 7
隐丹参酮
SiPLS(1, 4, 9)	8	0.990 9	0.002 0	0.003 2	0.971 0	0.001 9
1 600~1 800, 1 900~2 230, 2 300~2 400	6	0.983 4	0.002 7	0.003 9	0.969 5	0.001 9
1 600~1 800	5	0.975 0	0.003 3	0.004 7	0.903 6	0.003 5
1 900~2 230	9	0.991 0	0.002 0	0.005 8	0.883 0	0.003 8
2 300~2 400	6	0.987 0	0.002 4	0.003 9	0.957 8	0.002 3

Table 3. PLS model results of different band screening methods (g·g^-1)

Download Citation

Save the article for my favorites

Paper Information