Study on Infrared Fingerprint of the Classical Famous
Prescription Yiguanjian
JIA Hao1, 3, 4, ZHANG Wei-fang1, 3, LEI Jing-wei1, 3*, LI Ying-ying1, 3, YANG Chun-jing2, 3*, XIE Cai-xia1, 3, GONG Hai-yan1, 3, DING Xin-yu1, YAO Tian-yi1
1. School of Pharmacy, Henan University of Traditional Chinese Medicine, Zhengzhou 450046, China
2. The Third Affiliated Hospital of Henan University of Traditional Chinese Medicine，Zhengzhou 450003, China
3. Henan Provincial Chinese Medicine Quality Control and Evaluation Engineering Technology Center, Zhengzhou 450046, China
4. Luohe Medical College, Luohe 462002, China
Abstract：The classic formula Yiguanjian consists of 6 herbs: Rehmannia glutinosa Libosch, Angelica sinensis (Oliv. ) Diels, Glehnia littoralis Fr. Schmindt ex Miq, Lyciumbarbarum L, Ophiopogon japonicus （L. f） Ker-Gawl, Melia toosendan Sieb. et Zucc are effective in nourishing the liver and kidneys and de-stressing the liver and Qi. Infrared spectroscopy has the advantage of being fast and non-destructive. Infrared spectroscopy provides complete information from different batches of Yiguanjian benchmark samples. The infrared spectra of the samples were collected using a Fourier transform infrared spectrometer. The raw spectra were pre-processed to obtain relative peak heights and to attribute shared peaks. The infrared spectral data were evaluated using HCA, PCA and OPLS-DA. The results showed that the sugar skeleton stretching vibration absorption peaks in the 868, 822 and 779 cm-1 bands of the 15 batches of Yiguanjian benchmark samples were mostly contributed by Lyciumbarbarum L and a few at the 815 cm-1 band were contributed by Ophiopogon japonicus（L. f） Ker-Gawl. The single decoction of Rehmannia glutinosa Libosch at 1 148 cm-1 band, the single decoction of Glehnia littoralis Fr. Schmindt ex Miq at 1 158, 1 082, 1 019 cm-1 band and the single decoction of Angelica sinensis (Oliv. ) Diels at 993 cm-1 band all contributed to the glycosidic composition. The absorption peak of soluble lipid glycosides in the 1 746 cm-1 band of the single decoction of Melia toosendan Sieb. et Zucc is obvious, but the absorption peak is not obvious in Yiguanjian benchmark samples. It may have changed chemically during decoction. The HCA results showed that S1, S2, S15 clustered into one group, S9, S11, S12, S13, S14 clustered into one group, S3, S4, S5, S6, S7, S8, S10 clustered into one group when the distance between groups=10. Indicating that there was some variation in the internal quality of different batches of consistent decoctions. It indicates some variation in the internal quality of the 15 batches of Yiguanjian benchmark samples. The PCA classification results were in general agreement with the HCA results, and the combined principal component scores were calculated for different batches, with batch No.3 Yiguanjian being the best quality decoction and batch No.1 being the worst. Analysis of the load scatter plots yielded 1 104, 1 142, 1 412, 1 260, and 868 cm-1 band peaks contributing more to principal component 1; 777, 2936, 923, 1 721, 818, and 637 cm-1 band peaks contributing more to principal component 2. OPLS-DA results are consistent with HCA and PCA results. Using VIP>1 as a criterion, seven bands that led to differences between samples were screened, 777, 637, 923, 2 936, 1 260, 1 412 and 1 630 cm-1, respectively, and the results were generally consistent with the importance weighting variables looked for in the PCA loading diagram. The established method of infrared fingerprinting of Yiguanjian is simple and accurate, which can be used for the rapid identification and analysis of the classical formulae and provide a reference for the quality control and evaluation of the classical formulae of Yiguanjian.
Key words：Classic prescription; Yiguanjian; Benchmark samples; Fingerprint mapping; Cluster analysis; Principal component analysis; Orthogonal partial least squares-discriminant analysis
贾 豪，张维方，雷敬卫，李莹莹，杨春静，谢彩侠，龚海燕，丁心雨，姚天意. 经典名方一贯煎红外指纹图谱研究[J]. 光谱学与光谱分析, 2023, 43(10): 3202-3210.
JIA Hao, ZHANG Wei-fang, LEI Jing-wei, LI Ying-ying, YANG Chun-jing, XIE Cai-xia, GONG Hai-yan, DING Xin-yu, YAO Tian-yi. Study on Infrared Fingerprint of the Classical Famous
Prescription Yiguanjian. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3202-3210.
[1] CHEN Long, MU Yong-ping, ZHANG Hua, et al(陈 龙, 慕永平, 张 华, 等). Chinese Journal of Experimental Traditional Medical Formulae(中国实验方剂学杂志), 2020, 26(24): 186.
[2] LIANG Yue, WANG Chang-hong, CHENG Xue-mei, et al(梁 悦, 王长虹, 程雪梅, 等). Chinese Journal of Experimental Traditional Medical Formulae(中国实验方剂学杂志), 2021, 27(22): 15.
[3] WANG Xiu-fen, LI Jing, MA Fang, et al(王秀芬, 李 静, 马 芳, 等). Herald of Medicine(医药导报), 2018, 37(6): 721.
[4] GONG Hai-yan, LUO Xiao, LEI Jing-wei, et al(龚海燕, 罗 晓, 雷敬卫, 等). Acta Chinese Medicine(中医学报), 2016, 31(1): 96.
[5] JIA Hao, LEI Yi-ming, ZHANG Wei-fang, et al(贾 豪, 雷益铭, 张维方, 等). China Pharmacy(中国药房), 2022, 33(2): 153.
[6] LI Yan-qing, DING Shan-shan, GUO De-hui(李燕青, 丁姗姗, 郭德慧). Modern Food Science and Technology(现代食品科技), 2020, 36(2): 283.
[7] SUN Li-li, WANG Meng, REN Xiao-liang(孙立丽, 王 萌, 任晓亮). Chinese Herbal Medicines(中草药), 2017, 48(20): 4339.
[8] LIU Hui, XIAO Jin-chao, ZHANG Qing-jie, et al(刘 慧, 肖金超, 张庆捷, 等). Chinese Herbal Medicines(中草药), 2021, 52(14): 4185.
[9] LIU Ming-di, SONG Ping, WANG Bo(刘明地, 宋 萍, 王 博). Journal of Central China Normal University(Natural Science Edition)[华中师范大学学报(自然科学版)], 2019, 53(2): 222.
[10] LIU Ying, WANG Qing, WANG Fang, et al(刘 颖, 王 青, 王 放, 等). Chinese Pharmaceutical Journal(中国药学杂志), 2013, 48(24): 2097.
[11] TANG Wei-wei, WANG Ya-ping, LEI Jing-wei, et al(唐维维, 王娅平, 雷敬卫, 等). Journal of Chinese Medicinal Materials(中药材), 2020, 43(7): 1601.
[12] HAN Qing-wen, ZHOU Bin, LI Yu-ping, et al(韩晴雯, 周 斌, 李玉平, 等). Journal of Pharmaceutical Analysis(药物分析杂志), 2020, 40(7): 1300.
[13] GUAN Yong-mei, WAN Xin-hao, WU Wen-ting, et al(管咏梅, 万鑫浩, 吴文婷, 等). Chinese Herbal Medicines(中草药), 2021, 52(18): 5535.
