31 2003 1 (FENXI HUAXUE) 1 Chinese Journal of Analytical Chemistry 59 1,3 1 1 2 2 3 1 1 (, 100084) 2 (, 100700) 3 (, 438000), 18 18 6, 45,,,,,, 1 (paeonia lactiflora pall),,, ;, 1,,,,,,, 2,, :,, 2 2. 1 Perkin2Elmer Spectrum GX, DTGS, 4000 400 cm - 1, 16, 4 cm - 1 2. 2 : ( ) :,0. 154 mπm ;3 mg 200 mg, 2. 3 Matlab 5. 3 3 3. 1, 22102 2 2002202219 ;2002208219 ( 2001ZDZX01)
6 31 2,, 3, 5,,, 6, 8, 3, 2,,, 1 Class 9,10,,, 3. 2 1, 1317 cm - 1,, 1e,,, ; 15701180 cm - 1 898820 cm - 1,, 6, 4 4. 1 18 92 1 Fig. 1 Fourier transfor infrared spectra of Paeonia lactiflora in different areas, 13, a. ( Keshan) ; b. (Lonhua) ; c. (Duolun) ; d. ( Kalaqinqi) ; e. (Bozhou) ; f. (Xunyi) 5, 1 2, 3 1 = 55. 24, 2 = 7. 91, 3 = 3. 89, 90. 61 3, PC1 PC3, 3 3,, 5 6, 1 2 3 4 5,6,
1 : 7 2 Fig. 2 Geographical positions of Paeonia lactiflora areas 3 Fig. 3 The two2dimension plot for Paeonia lactifolra samples,,,,, ( 2) ( 2),, 1 Table 1 Producing areas and symbols of samples of paeonia lactiflora Growth status ( ) Areas & their symbols (in brackets) Wild Cultivated Neimenggu Helongjiang Liaoning Jilin Hebei Shannxi Shannxi Anhui Zhejiang Duolun(d) Kalaqinqi (q) Keshiketengqi (k) Keshan (s) Huanan(n) Xifeng(x) Baicheng(b) Longhua (l) Weichang(w) Zhangjiakou(z) Huailai (h) Xunyi (y) Huanglong( H) Ziyang(zy) Bozhou (bz) Jinyun(jy) Panan(pa) Dongyang(dy) 4. 2, 6 6, 6, 3,,,,,,,,,, 4,,, ( 3), 2 3,, 2, 4,
8 31 2 Table 2 Weather and character of primary areas of paeonia lactiflora Geographical origins Areas 2 ] Weather 2 Character 1 Keshan Moist areas, The root Huanan Xifeng in the central temperate is big and hard Baicheng Zone 2 Longhua Sub2arid, The root is Weichang areas in central temperate bigger and brittle Zhangjiakou Huailai Zone Keshiketengqi Remark Primary areas, Wood Paeonia lactiflora Primary areas 3 Duolun 4 Keshiketengqi 5 Xunyi Huanglong 6 Ziyang, The root is bigger and brittler, The root is bigger and brittle The sub2 The root is hard moist area the south The sub2 arid area south temperate zone The moist, The root is area in the north temperate small and harder zone, Primary & trueborn area Primary area sub2areas, These are generally processed. as a baishao Jjnyun Panan Moist Dongyang areas in the north sub2 Bozhou The sub2 moist area in the south 4,,, 3, 3,,,, 4. 3,90,45 4, Fig. 4 The predicted result of the test sample 4 :,45, 5, 6,, 45, :,
1 : 9 References 1 Jiangsu New Medical College( ). Glossary of Chinese Herbal Medicines ( ). Shanghai ( ) :Shanghai Science and Technology Press( ),1999 : 10931095 2 Hu Shilin( ), Fu Guilan ( ), Feng Xuefeng( ), Tang Xiaojun ( ), He Xirong ( ). China Journal of Chinese Materia Medica ( ), 2000, 25 (12) :714716 3 Sun Suqin( ), Zhou Qun( ), Yu Jianyuan( ). Chinese J. Anal. Chem. ( ), 2000, 28 (2) :211 214 4 Sun Suqin( ), Du Deguo ( ), Liang Xiyun( ), Yang Xianrong( ). Chinese J. Anal. Chem. ( ), 2001, 29 (3) :309312 5 Sun Suqin( ), Zhang Xuan( ), Qin Zhu( ), Hu Xinyao ( ). Spectroscopy and Spectral Analysis ( ), 1999,19 (4) :542545 6 Cooper J B. Chemometrics and Intelligent Laboratory Systems. 1999,46 :231 7 Woo Y A, Kim H J, Chung H. Analyst, 1999, 124 :12231226 8 Woo Y A, Kim H J, Cho J H, Chung H. J. Pharm. Biomed. Anal., 1999, 21 :407413 9 Stubbings T, Hutter H. Chemometrics and Intelligent Laboratory Systems, 1999,49 :163172 10 Yao X J, Zhang X Y, Zhang R S, Liu M S, Hu Z, Fan B. Computers and Chemistry, 2001, 25 :475482 The Application of Fingerprint Infrared Spectra and Clustering Analysis in the Discrimination of Geographical Origin of Paeonia lactiflora Pall Xu Yongqun 1,3, Huang Hao 1, Zhou Qun 1, Zhou Hongtao 2, Hu Shilin 2, Sun Suqin 3 1 1 ( Department of Chemistry, Tsinghua University, Beijing 100084) 2 ( Chinese Academy of Traditional Chinese Medicine, Beijing 100700) 3 ( Department of Chemistry, Huanggang Teachers College, Huanggang 438000 Abstract Based on the fingerprint infrared spectrum of paeonia lactiflora Pall, paeonia lactiflora Pall samples from 18 areas were clustered into 6 classes with principal component analysis. This result agrees with their geographical origins. The spectra of samples were similar with each other in the same class, which can be considered as the criterion of evaluating the pharmic quality of Paeonia lactiflora Pall. 45 geographical origins were predicted with radial basis function, and it was demonstrated to be a powerful artiticial neural net ( ANN ) method in discrimination. So a rapid, accurate, and operable method in the medicinal materials quality control was developed. Keywords Fourier transform infrared spectroscopy, principal component analysis, clustering analysis, radial basis function,geographical origin of Paeonia lactiflora Pall (Received 19 February 2002 ; accepted 19 August 2002)