非线性化学指纹图谱技术用于菖蒲的鉴别及二元混合物中不同菖蒲含量的测定

doi:10.7503/cjcu20170752

摘要/Abstract

摘要：

采用非线性化学指纹图谱技术获得了石菖蒲、水菖蒲和九节菖蒲的特征指纹图谱, 直观差异明显; 将石菖蒲分别与水菖蒲和九节菖蒲进行二元掺杂, 利用指纹图谱定量信息和各菖蒲含量拟合得到线性回归方程, 相关系数>0.9990. 用该方程预测了二元混合物中不同菖蒲的含量, 相对误差≤4.17%, RSD≤2.73%. 非线性化学指纹图谱技术具有良好的重现性和特征性, 同种菖蒲指纹图谱间系统相似度≥0.9989, 不同种菖蒲指纹图谱间相似度≤0.9123. 此外, 该技术摒弃传统方法复杂的前处理过程, 可高效、快速进行鉴别, 从整体性角度对样本进行定性鉴别与定量分析.

关键词: 非线性化学指纹图谱, 鉴别, 定量测定, 菖蒲

Abstract:

As a common medicine, the price of Grass-leaved sweetflag differs greatly from those of Rhizoma calami and Acorus graminens soland, so the phenomenon of mixed or substituted use always appear in the market. In this paper, characteristic fingerprints of Grass-leaved sweetflag, Rhizoma calami and Acorus graminens soland were obtained by nonlinear chemical fingerprint technique and their visual difference was obvious. The binary doping of Grass-leaved sweetflag with Rhizoma calami and Acorus graminens soland was carried out, the linear regression equation was obtained via the quantitative information of the fingerprints and the content of calamus, the correlation coefficient was >0.9990. Using this equation to predict the content of each calamus in a mixture consisting two species of Acorus calamus. the relative error≤4.17%, RSD≤2.73%. The nonlinear chemical fingerprinting technique has a good reproducibility and characteristic. The system similarities of the fingerprints between the same species of Acorus calamus are ≥0.9989, while those of different species of Acorus calamus are ≤0.9123. In addition, the technology abandons the complex traditional pre-processing methods with high efficiency and fast peculiarity, and can be used to identify, analyze and evaluate the samples in a holistic.

Key words: Nonlinear chemical fingerprint technique, Authenticity identification, Quantitative determination, Acorus calamus

中图分类号:

O655

TrendMD:

谭雪莹, 张泰铭, 邓飞跃, 黄坚, 文庆, 陈春楠. 非线性化学指纹图谱技术用于菖蒲的鉴别及二元混合物中不同菖蒲含量的测定. 高等学校化学学报, 2018, 39(7): 1440.

TAN Xueying, ZHANG Taiming, DENG Feiyue, HUANG Jian, WEN Qing, CHEN Chunnan. Identification of Different Acorus calamus and Determination of Content of Acorus calamus in Binary Mixtures by Nonlinear Chemical Fingerprint^†. Chem. J. Chinese Universities, 2018, 39(7): 1440.

图/表 13

参考文献 27

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Parameter	Eigenvalue			Parameter	Eigenvalue
Parameter	Grass-leaved sweetflag	Rhizoma calami	Acorus graminens soland	Parameter	Grass-leaved sweetflag	Rhizoma calami	Acorus graminens soland
t_can/s	276.3	534.5	600.8	τ_und/s	49.34	51.22	54.90
E_can/V	0.4430	0.4990	0.4350	t_une/s	9447	7741	11182
t_pet/s	1895	925.0	936.7	E_une/V	0.8700	0.8800	0.8640
E_pet/V	1.144	1.166	1.153	t_und/s	4962	4340	6353
t_ind/s	4485	3401	4829	ΔE_max/V	0.1550	0.1360	0.1340
E_uns/V	0.8860	0.9030	0.8980	n_wav	108	99	117

Parameter	Eigenvalue			Parameter	Eigenvalue
Parameter	Grass-leaved sweetflag	Rhizoma calami	Acorus graminens soland	Parameter	Grass-leaved sweetflag	Rhizoma calami	Acorus graminens soland
t_can/s	276.3	534.5	600.8	τ_und/s	49.34	51.22	54.90
E_can/V	0.4430	0.4990	0.4350	t_une/s	9447	7741	11182
t_pet/s	1895	925.0	936.7	E_une/V	0.8700	0.8800	0.8640
E_pet/V	1.144	1.166	1.153	t_und/s	4962	4340	6353
t_ind/s	4485	3401	4829	ΔE_max/V	0.1550	0.1360	0.1340
E_uns/V	0.8860	0.9030	0.8980	n_wav	108	99	117

Sample	System similarity
Sample	Mutual mode of Grass-leaved sweetflag	Mutual mode of Rhizoma calami	Mutual mode of Acorus graminens soland
Grass-leaved sweetflag	0.9990	0.8857	0.8839
	0.9993	0.8854	0.8837
	0.9992	0.8855	0.8841
Rhizoma calami	0.8841	0.9989	0.9123
	0.8839	0.9993	0.9120
	0.8845	0.9990	0.9119
Acorus graminens soland	0.8823	0.9120	0.9992
	0.8815	0.9115	0.9995
	0.8818	0.9910	0.9989

Sample	System similarity
Sample	Mutual mode of Grass-leaved sweetflag	Mutual mode of Rhizoma calami	Mutual mode of Acorus graminens soland
Grass-leaved sweetflag	0.9990	0.8857	0.8839
	0.9993	0.8854	0.8837
	0.9992	0.8855	0.8841
Rhizoma calami	0.8841	0.9989	0.9123
	0.8839	0.9993	0.9120
	0.8845	0.9990	0.9119
Acorus graminens soland	0.8823	0.9120	0.9992
	0.8815	0.9115	0.9995
	0.8818	0.9910	0.9989

x_Rhizoma _calami(%)	t_{ind 1}/min	t_{une 1}/min	x_Acorus _graminens _soland(%)	t_{ind 2}/min	t_{une 2}/min
0	74.70	155.1	0	74.70	155.0
10.0	72.93	151.0	10.0	75.08	158.1
30.0	69.65	145.3	30.0	76.00	162.1
50.0	65.73	140.1	50.0	77.11	167.3
70.0	61.83	135.0	70.0	78.30	173.0
90.0	58.45	130.2	90.0	79.35	178.5
100	56.65	127	100	79.60	182.00