[1] 姚新生,叶文才,栗原博.阐明中药科学内涵,推进中药现代化与创新药物研究进程[J].化学进展,2009,21(1):2
YAO XS, YE WC, LI YB. Reveal the scientific connotation of TCM for promoting its modernization and innovative drug research process[J].Prog Chem, 2009, 21(1): 2
[2] 肖小河,金城,赵中振,等.论中药质量控制与评价模式的创新与发展[J].中国中药杂志,2007,32(14):1377
XIAO XH, JIN C, ZHAO ZZ, et al. Probe into innovation and development of pattern of quality control and evaluation for Chinese medicine[J].China J Chin Mater Med, 2007, 32(14): 1377
[3] 肖小河,肖培根,王永炎,等.中药科学研究的几个关键问题[J].中国中药杂志,2009,34(2):119
XIAO XH, XIAO PG, WANG YY, et al. Some key issues about scientific research on traditional Chinese medicine[J].China J Chin Mater Med, 2009, 34(2): 119
[4] TAN XJ, LI Q, CHEN XH, et al. Simultaneous determination of 13 bioactive compounds in Herba Artemisiae Scopariae(Yin Chen) from different harvest seasons by HPLC-DAD[J].J Pharm Biomed Anal, 2008, 47(4-5): 847
[5] CHEN HJ, LI X, CHEN JW, et al. Simultaneous determination of eleven bioactive compounds in Saururus chinensis from different harvesting seasons by HPLC-DAD[J].J Pharm Biomed Anal, 2010, 51(5): 1142
[6] 康传志,吕朝耕,黄璐琦,等.基于区域分布的常见中药材生态种植模式[J].中国中药杂志,2020,45(9):1982
KANG CZ, LÜ ZG, HUANG LQ, et al. Pattern of ecological planting for Chinese materia medica based on regional distribution[J].China J Chin Mater Med, 2020, 45(9): 1982
[7] 肖培根,肖小河.21世纪与中药现代化[J].中国中药杂志,2000,25(2):67
XIAO PG, XIAO XH. The 21st century and modernization of traditional Chinese medicine[J].China J Chin Mater Med, 2000, 25(2): 67
[8] 王毅,张晗,张伯礼,等.中药药效物质多模态辨识方法学及其应用研究[J].中国中药杂志,2020,45(1):1
WANG Y, ZHANG H, ZHANG BL, et al. Methodology and applications for multimodal identification of active constituents of traditional Chinese medicine[J].China J Chin Mater Med, 2020, 45(1): 1
[9] MARTINO R, MALET-MARTINO M, GILARD V, et al. Counterfeit drugs: analytical techniques for their identification[J].Anal Bioanal Chem, 2010, 398(1): 77
[10] KRAKOWSKA B, CUSTERS D, DECONINCK E, et al. Chemometrics and the identification of counterfeit medicines—a review[J].J Pharm Biomed Anal, 2016, 127: 112
[11] LIANG YZ, XIE PS, CHAN K. Quality control of herbal medicines[J].J Chromatogr B, 2004, 812(1-2): 53
[12] XIE PS, CHEN SB, LIANG YZ, et al. Chromatographic fingerprint analysis—a rational approach for quality assessment of traditional Chinese herbal medicine[J].J Chromatogr A, 2006, 1112(1-2): 171
[13] SIMA IA, ANDRASI M, SARBU C. Chemometric assessment of chromatographic methods for herbal medicines authentication and fingerprinting[J].J Chromatogr Sci, 2018, 56(1): 49
[14] MOK DKW, CHAU F. Chemical information of Chinese medicines: a challenge to chemist[J].Chemometr Intell Lab, 2006, 82(1-2): 210
[15] LIANG Y, XIE P, CHAU F, et al. Chromatographic fingerprinting and related chemometric techniques for quality control of traditional Chinese medicines[J].J Sep Sci, 2010, 33(3): 410
[16] RAMOS LS, BEEBE KR, CAREY WP, et al. Chemometrics[J].Anal Chem, 1986, 58(5): 294R
[17] BROWN SD. The chemometrics revolution re-examined[J].J Chemometr, 2017, 31(1): e2856
[18] MASSART DL, VANDEGINSTE BGM, BUYDENS LMC, et al. Handbook of Chemometrics and Qualimetrics (Part A)[M]. Amsterdam: Elsevier Science, 1997
[19] 许禄,邵学广.化学计量学方法[M].第二版.北京:科学出版社,2004
XU L, SHAO XG. Methods of Chemometrics[M]. 2nd Ed. Beijing: Science Press, 2004
[20] NI Y, MEI M, KOKOT S. One- and two-dimensional gas chromatography-mass spectrometry and high performance liquid chromatography-diode-array detector fingerprints of complex substances: a comparison of classification performance of similar, complex Rhizoma Curcumae samples with the aid of chemometrics[J].Anal Chim Acta, 2012, 712(2): 37
[21] WANG L, WANG X, KONG L. Automatic authentication and distinction of Epimedium koreanum and Epimedium wushanense with HPLC fingerprint analysis assisted by pattern recognition techniques[J].Biochem Syst Ecol, 2012, 40(1): 138
[22] 石岩,熊婧,魏锋,等.基于机器学习及外部“探针”策略的HPLC保留时间预测的研究[J].药物分析杂志,2019,39(4):716
SHI Y, XIONG J, WEI F, et al. Prediction of HPLC retention time with the strategy based on machine learning and external “probe”[J].Chin J Pharm Anal, 2019, 39(4): 716
[23] FUCHS B, SÜß R, TEUBER K, et al. Lipid analysis by thin-layer chromatography—a review of the current state[J].J Chromatogr A, 2011, 1218(19): 2754
[24] WONG KH, RAZMOVSKI-NAUMOVSKI V, LI KM, et al. Differentiating Puerariae Lobatae Radix and Puerariae Thomsonii Radix using HPTLC coupled with multivariate classification analyses[J].J Pharm Biomed Anal, 2014, 95: 11
[25] TIAN RT, XIE PS, LIU HP. Evaluation of traditional Chinese herbal medicine: Chaihu(Bupleuri Radix) by both high-performance liquid chromatographic and high-performance thin-layer chromatographic fingerprint and chemometric analysis[J].J Chromatogr A, 2009, 1216(11): 2150
[26] CUI S, FU B, LEE FS, et al. Application of microemulsion thin layer chromatography for the fingerprinting of licorice (Glycyrrhiza spp.)[J].J Chromatogr B, 2005, 828(1-2): 33
[27] DUAN B, HUANG L, CHEN S. Chemical fingerprint analysis of Fritillaria delavayi Franch. by high-performance liquid chromatography[J].J Sep Sci, 2012, 35(4):513
[28] RANDAZZO GM, TONOLI D, HAMBYE S, et al. Prediction of retention time in reversed-phase liquid chromatography as a tool for steroid identification[J].Anal Chim Acta, 2016, 916: 8
[29] GAD HA, EI-AHMADY SH, ABOU-SHOER MI, et al. Application of chemometrics in authentication of herbal medicines: a review[J].Phytochem Anal, 2013, 24(1): 1
[30] CHURCHWELL MI, TWADDLE NC, MEEKER LR, et al. Improving LC-MS sensitivity through increases in chromatographic performance: comparisons of UPLC-ES/MS/MS to HPLC-ES/MS/MS[J].J Chromatogr B, 2005, 825(2): 134
[31] TANG DQ, LI Z, JIANG XL, et al. Fingerprint analysis and multi-ingredient quantitative analysis for quality evaluation of Xiaoyanlidan tablets by ultra high performance liquid chromatography with diode array detection[J].J Sep Sci, 2014, 37(16): 2131
[32] ALPERT AJ. Hydrophilic-interaction chromatography for the separation of peptides, nucleic acids and other polar compounds[J].J Chromatogr, 1990, 499(2): 177
[33] JIANG Y, DAVID B, TU P, et al. Recent analytical approaches in quality control of traditional Chinese medicines-a review[J].Anal Chim Acta, 2010, 657(1): 9
[34] CHEN Y, BICKER W, WU JY, et al. Ganoderma species discrimination by dual-mode chromatographic fingerprinting: a study on stationary phase effects in hydrophilic interaction chromatography and reduction of sample misclassification rate by additional use of reversed-phase chromatography[J].J Chromatogr A, 2010, 1217(8): 1255
[35] ZHU H, WANG Y, LIANG H, et al. (2010). Identification of Portulaca oleracea L. from different sources using GC-MS and FT-IR spectroscopy[J].Talanta, 2010, 81(1-2): 129
[36] DECONINCK E, CANFYN M, SACRé PY, et al. A validated GC-MS method for the determination and quantification of residual solvents in counterfeit tablets and capsules[J].J Pharm Biomed Anal, 2012, 70: 64
[37] GIKA HG, THEODORIDIS GA, PLUMB RS, et al. Current practice of liquid chromatography-mass spectrometry in metabolomics and metabonomics[J].J Pharm Biomed Anal, 2014, 87: 12
[38] 姚令文,石岩,孙冬梅,等.人工牛黄薄层指纹图谱多元图像分析及化学计量学研究[J].中国中药杂志,2017,42(11):2117
YAO LW, SHI Y, SUN DM, et al. The analysis of multivariate image and chemometrics in TLC fingerprinting of artificial cow-bezoar[J].China J Chin Mater Med, 2017, 42(11): 2117
[39] HENGRIKS MMWB, CRUZ-JUAREZ L, DE BONT D, et al. Preprocessing and exploratory analysis of chromatographic profiles of plant extracts[J].Anal Chim Acta, 2005, 545(1): 53
[40] NIELSEN NPV, CARSTENSEN JM, SMEDSGAAED J. Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping[J].J Chromatogr A, 1998, 805(1-2): 17
[41] ZHENG L, WATSON DG, JOHNSTON BF, et al. A chemometric study of chromatograms of tea extracts by correlation optimization warping in conjunction with PCA, support vector machines and random forest data modeling[J].Anal Chim Acta, 2009, 642(1-2): 257
[42] ROPKINS K, CARLSAW DC, GOODMAN PS, et al. Application of non-linear time-alignment and integration methods to environmental time series[J].Trend Anal Chem, 2009, 28(3): 373
[43] XIONG J, ZHENG TJ, SHI Y, et al. Analysis of the fingerprint profile of bioactive constituents of traditional Chinese medicinal materials derived from animal bile using the HPLC-ELSD and chemometric methods: an application of a reference scaleplate[J].J Pharm Biomed Anal, 2019, 174: 50
[44] 石岩,耿颖,郑天骄,等.猪胆粉HPLC-ELSD全轮廓谱图主要胆汁酸测定及化学计量学分析[J].药物分析杂志,2017,37(2):283
SHI Y, GENG Y, ZHENG TJ, et al. Determination of the major bile acids in pig bile powder by HPLC-ELSD and chemometric analysis of the whole chromatographic profiles[J].Chin J Pharm Anal, 2017, 37(2): 283
[45] 石岩,郑天骄,魏锋,等.牛胆粉指纹图谱模式识别及多组分测定研究[J].中国中药杂志,2016,41(13):2487
SHI Y, ZHENG TJ, WEI F, et al. Studies of pattern recognition of fingerprint profile of cattle bile powder and determination of multi-component in it[J].China J Chin Mater Med, 2016, 41(13): 2487
[46] 王龙星,肖红斌,梁鑫淼,等.一种评价中药色谱指纹谱相似性的新方法:向量夹角法[J].药学学报,2002,37(9):713
WANG LX, XIAO HB, LIANG XM, et al. Vectorial angle method for evaluating the similarity between two chromatographic fingerprints of Chinese herb[J].Acta Pharm Sin, 2002, 37(9): 713
[47] 程翼宇,陈闽军,吴永江.化学指纹图谱的相似性测度及其评价方法[J].化学学报,2002,60(11):2017
CHENG YY, CHEN MJ, WU YJ. Measures for determining the similarity of chemical fingerprint and a method of evaluating the measures[J].Acta Chim Sin, 2002, 60(11): 2017
[48] 陈闽军,程翼宇,林瑞超.中药色谱指纹图谱相似性计算方法的研究[J].中成药,2002,24(12):905
CHEN MJ, CHENG YY, LIN RC. Investigation of the methods for determining the similarity of the chromatographic fingerprints of traditional Chinese medicine[J].Chin Tradit Pat Med, 2002, 24(12): 905
[49] PEARSON K. On lines and planes of closest fit to systems of points in space[J].Philos Mag, 1901, 2(11): 559
[50] FISHER R, MACKENZIE W. Studies in crop variation. Ⅱ. The manorial response of different potato varieties[J].J Agric Sci, 1923, 13(3): 311
[51] HOTELLING H. Analysis of a complex of statistical variables into principal components[J].J Educ Psychol, 1933(24): 417
[52] 石岩,魏锋,马双成.关于主成分分析在中药和天然药物分析研究中应用的探讨[J].中国中药杂志,2018,43(14):3031
SHI Y, WEI F, MA SC. Discussion on the application of principal component analysis in the analysis of traditional Chinese medicines and natural drugs[J].China J Chin Mater Med, 2018, 43(14): 3031
[53] NI Y, LAI Y, BRANDES S, et al. Multi-wavelength HPLC fingerprints from complex substances: an exploratory chemometrics study of the Cassia seed example[J].Anal Chim Acta, 2009, 647(2): 149
[54] TISTAERT C, DEJAEGHER B, HEYDEN YV. Chromatographic separation techniques and data handling methods for herbal fingerprints: a review[J].Anal Chim Acta, 2011, 690(2): 148
[55] WONG KH, RAZMOVSKI-NAUMOVSKI V, LI KM, et al. Differentiation of Pueraria lobata and Pueraria thomsonii using partial least square discriminant analysis (PLS-DA)[J].J Pharm Biomed Anal, 2013, 84: 5
[56] ZHOU X, TANG L, WU H, et al. Chemometric analyses for the characterization of raw and processed seeds of Descurainia sophia(L.) based on HPLC fingerprints[J].J Pharm Biomed Anal, 2015, 111: 1
[57] SUN LL, WANG M, ZHANG HJ, et al. Comprehensive analysis of Polygoni Multiflori Radix of different geographical origins using ultra-high-performance liquid chromatography fingerprints and multivariate chemometric methods[J].J Food Drug Anal, 2018, 26(1): 90
[58] YU C, WANG CZ, ZHOU CJ, et al. Adulteration and cultivation region identification of American ginseng using HPLC coupled with multivariate analysis[J].J Pharm Biomed Anal, 2014, 99: 8
[59] TRYGG J, WOLD S. Orthogonal projections to latent structures(O-PLS)[J].J Chemometr, 2002, 16(3): 119
[60] BYLESJO M, RANTALAINEN M, CLOAREC O, et al. OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification[J].J Chemometr, 2006, 20(8-10): 341
[61] TIAN RT, XIE PS, LIU HP, et al. Evaluation of traditional Chinese herbal medicine: Chaihu(Bupleuri Radix) by both high-performance liquid chromatographic and high-performance thin-layer chromatographic fingerprint and chemometric analysis[J].J Chromatogr A, 2009, 1216(11): 2150
[62] NI Y, PENG Y, KOKOT S. Fingerprinting of complex mixtures with the use of high performance liquid chromatography, inductively coupled plasma atomic emission spectroscopy and chemometrics[J].Anal Chim Acta, 2008, 616(1): 19
[63] CHENG XL, WEI F, XIAO XY, et al. Identification of five gelatins by ultra performance liquid chromatography/time-of-flight mass spectrometry(UPLC/Q-TOF-MS) using principal component analysis[J].J Pharm Biomed Anal, 2012, 62: 191
[64] SERNEELS S, CROUX C, FILZMOSER P, et al. Partial robust M-regression[J].Chemometr Intell Lab, 2005, 79(1-2): 55
[65] CENTNER V, MASSART DL, DENOORD OE, et al. Elimination of uninformative variables for multivariate calibration[J].Anal Chem, 1996, 68(21): 3851
[66] DUMAREY M, NEDERKASSEL AMV, DECONINCK E, et al. Exploration of linear multivariate calibration techniques to predict the total antioxidant capacity of green tea from chromatographic fingerprints[J].J Chromatogr A, 2008, 1192(1): 81
[67] NEDERKASSEL AMV, DASZYKOWSKI M, MASSART DL, et al. Prediction of total green tea antioxidant capacity from chromatograms by multivariate modeling[J].J Chromatogr A, 2005, 1096(1-2): 177
[68] DASZYKOWSKI M, HEYDEN YV, WALCZAK B. Robust partial least squares model for prediction of green tea antioxidant capacity from chromatograms[J].J Chromatogr A, 2007, 1176(1-2): 12
[69] ZANG Q, WANG J, KONG W, et al. Searching for the main anti-bacteria components in artificial Calculus bovis using UPLC and microcalorimetry coupled with multi-linear regression analysis[J].J Sep Sci, 2011, 34(23): 3330
[70] TISTAERT C, DEJAEGHER B, CHATAIGNÉ G, et al. Dissimilar chromatographic systems to indicate and identify antioxidants from Mallotus species[J].Talanta, 2011, 83(4): 1198
[71] TISTAERT C, DEJAEGHER B, NGUYEN HN, et al. Potential antioxidant compounds in Mallotus species fingerprints. Part Ⅰ: indication, using linear multivariate calibration techniques[J].Anal Chim Acta, 2009, 652(1-2): 189
[72] TISTAERT C, DEJAEGHER B, CHATAIGNÉ G, et al. Potential antioxidant compounds in Mallotus species fingerprints. Part Ⅱ: fingerprint alignment, data analysis and peak identification[J].Anal Chim Acta, 2012, 721: 35