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

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

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

Yan-fang PENG1,*... Jun WANG1,1;, Zhi-sheng WU2,2; *;, Xiao-na LIU3,3; and Yan-jiang QIAO2,2; *; |Show fewer author(s)

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

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Figures & Tables(8)

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

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

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

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Fig. 4. Original NIR spectra of Tanshinone Extract

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

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Table 1. Concentration distribution of deuterated chloroform solution of tanshinone ⅡA and cryptotanshinone
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Table 1. Concentration distribution of deuterated chloroform solution of tanshinone ⅡA and cryptotanshinone
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 2. Results of Tanshinone IIA and Cryptotanshinone PLS models based on different pretreatment methods (g·g^-1)

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

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

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

	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

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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

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Paper Information

Category: Research Articles

Received: Apr. 9, 2021

Accepted: --

Published Online: Nov. 14, 2022

The Author Email: PENG Yan-fang (pengyf0816@163.com)

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

Topics

laser devices and laser physics

Lasers and Laser Optics

Laser physics

laser manufacturing

Instrumentation, Measurement and Metrology

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

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

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

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

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

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

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

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

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

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