指纹图谱等同系数的理论、方法及应用
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摘要
中药指纹图谱法是中药质量评价和质量控制的一个重要环节。在这一环节里,针对中药实际应用所需选择合适的图谱评价方法,并建立与方法相适应的图谱等同系数是实现中药批次间产品质量稳定性判定的关键。建立一个图谱等同系数指标对于实现中药药政管理的科学化和合理化,实现中药产业化发展,确保和监控同一中药不同批次以及仿制与原创中药质量稳定性具有重要的现实意义。目前,相关图谱的相似性评价方法研究众多,但相应用于最终判定图谱等同指标的体系研究尚未见报道。为此,针对这一现象,本文提出了图谱等同系数概念、图谱等同理论和方法,并将理论结合实际,研究了理论与方法在实际应用中的情况。最后通过这些理论研究,建立了适合中药产业化发展所需的同一中药不同批次及其仿制产品质量合格与否的判定理论体系与评价指标,为促进我国中药产业化、现代化和国际化发展提供了一定的技术和理论支持。本文研究的主要内容及取得的主要成果如下:
一、对现有存在的主要中药指纹图谱相似性评价方法进行了深入的研究和探讨,挖掘了各方法的共性与个性,及各方法在实际应用中的主要不足,最后结合实际应用指出了现有方法进一步改进的理论依据和基本思路。
二、依据现有图谱相似性评价方法基本原理,在以上改进思路的指导下,构建了一个图谱等同系数计算新模型。并应用计算机仿真实验和实例研究数据进行检验,结果表明新模型可弥补现有图谱相似评价方法在实际应用中的局限性。新模型的优势在于其突出了等同系数对中药批次产品间实际质量的波动范围内的敏感性,从而提高了新模型在中药质量控制中的实际应用性。
三、在整体理论研究明确的基础上,给出了图谱等同性评价谱峰分析误差权重系数与图谱等同系数临界指标确立的两个基本理论和方法。并结合新模型的实际应用,建立了中药不同批次以及原创药与仿制药产品之间指纹图谱的等同评价管理体系。
Chromatographic fingerprint of Traditional Chinese Medicine (TCM) has played an important role in TCM quality control, in which choosing an appropriate evaluation measurement and setting up equivalent coefficient is a key to evaluate stability of TCM. It is essential to establish an equivalent value for the pharmacy administrators to monitor quality consistency of different batches in the development of TCM industry. Currently, there are a variety of similarity evaluation methods for chromatographic fingerprints; however, the research on the system of methods mating their evaluating indicators has not been reported. The dissertation proposed a new concept, established a new model of equivalent coefficient for chromatographic fingerprints, and introduced its application in TCM, then built a reasonable evaluation system and evaluating indicator and applied them in quality control on different batches of TCM, generic and original drugs. The main achievements as followed:
Firstly, an improved approach for feasible application was proposed by finding out the commonness and individuality of the methods and their limitations in practical application, and deeply investigation had been done on the existing similarity methods.
Secondly, a new model of equivalent coefficient was set up. The experimental and simulated data were used to verify the characteristics and superiority of the model. The results proved that there are many strong points in the model, and its highlight depends on the sensibility towards practical fluctuation scope of the batches. Thus, the new model improved the practical utilization for TCM quality control.
Thirdly, two basic theories and methods were raised on the establishment of weight and equivalent coefficient of chromatographic fingerprints. Based on the above, a reasonable system was formed for pharmacy administers to evaluate the equivalency on original and generic, and different batches of TCM.
一、对现有存在的主要中药指纹图谱相似性评价方法进行了深入的研究和探讨,挖掘了各方法的共性与个性,及各方法在实际应用中的主要不足,最后结合实际应用指出了现有方法进一步改进的理论依据和基本思路。
二、依据现有图谱相似性评价方法基本原理,在以上改进思路的指导下,构建了一个图谱等同系数计算新模型。并应用计算机仿真实验和实例研究数据进行检验,结果表明新模型可弥补现有图谱相似评价方法在实际应用中的局限性。新模型的优势在于其突出了等同系数对中药批次产品间实际质量的波动范围内的敏感性,从而提高了新模型在中药质量控制中的实际应用性。
三、在整体理论研究明确的基础上,给出了图谱等同性评价谱峰分析误差权重系数与图谱等同系数临界指标确立的两个基本理论和方法。并结合新模型的实际应用,建立了中药不同批次以及原创药与仿制药产品之间指纹图谱的等同评价管理体系。
Chromatographic fingerprint of Traditional Chinese Medicine (TCM) has played an important role in TCM quality control, in which choosing an appropriate evaluation measurement and setting up equivalent coefficient is a key to evaluate stability of TCM. It is essential to establish an equivalent value for the pharmacy administrators to monitor quality consistency of different batches in the development of TCM industry. Currently, there are a variety of similarity evaluation methods for chromatographic fingerprints; however, the research on the system of methods mating their evaluating indicators has not been reported. The dissertation proposed a new concept, established a new model of equivalent coefficient for chromatographic fingerprints, and introduced its application in TCM, then built a reasonable evaluation system and evaluating indicator and applied them in quality control on different batches of TCM, generic and original drugs. The main achievements as followed:
Firstly, an improved approach for feasible application was proposed by finding out the commonness and individuality of the methods and their limitations in practical application, and deeply investigation had been done on the existing similarity methods.
Secondly, a new model of equivalent coefficient was set up. The experimental and simulated data were used to verify the characteristics and superiority of the model. The results proved that there are many strong points in the model, and its highlight depends on the sensibility towards practical fluctuation scope of the batches. Thus, the new model improved the practical utilization for TCM quality control.
Thirdly, two basic theories and methods were raised on the establishment of weight and equivalent coefficient of chromatographic fingerprints. Based on the above, a reasonable system was formed for pharmacy administers to evaluate the equivalency on original and generic, and different batches of TCM.
引文
[1]王小如,黎先春,李磊等,中药及中药材质量控制关键技术,北京:化学工业出版社,2006,30～57
[2]周玉新,现代中药鉴定技术,北京:化学工业出版社,2004,10～15
[3]谢培山,中药指纹图谱概念-属性-技术-应用,中国中药杂志,2001,26(10):653～655
[4]周玉新,雷海明,徐永红等,中药指纹图谱研究技术,北京:化学工业出版社,2002,107～116
[5]罗国安,王义明,中药指纹图谱的分类和发展,中国新药杂志,2002,11(1):46～51
[6] Hasler A, Sticher O, Meier B, Identification and determination of the flavonoids from Ginkgo Biloba by high-performance liquid chromatogramphy.Journal of Chromatography A, 1992, 605: 41～47
[7] Shi-xuan Zhang, Feng-hong Zhang, Xiao-na Li, et al. Evaluation of Daphne genk-wa Diterpenes:Fingerprint and Quantitative Analysis by High Performance Liquid Chromatography, Phytochem. Anal. 2007, 18: 91～97
[8] Guoxiang Xie, Aihua Zhao, Peng Li, et al. Fingerprint analysis of Rhizoma chuanxiong by pressurized capillary electrochromatography and high perfor -mance liquid chromatography, Biomed. Chromatogr. 2007, 21: 867～875
[9] Hong-Liang Ma, Min-Jian Qin, Lian-Wen Qi, et al. Improved quality evaluation of Radix Salvia miltiorrhiza through simultaneous quantification of seven major active components by high-performance liquid chromatography and principal component analysis, Biomed. Chromatogr. 2007, 21: 931～939
[10] Famei Li, Bo Yuan, Zhili Xiong, et al. Fingerprint analysis of Flos Lonicerae japonicae using binary HPLC profiling, Biomed. Chromatogr. 2006, 20: 634～641
[11]万绍晖,万绍明,康廷国,系统科学在中药质量控制中的运用,时珍国医国药,2005,16(5):457～459
[12]国家药品监督管理局,中药注射剂指纹图谱研究的技术要求(暂行),中国药品标准,2000,1 (4):3～7
[13]国家药典委员会,中药注射剂指纹图谱实验研究技术指南(试行),2002
[14] FDA Guidance for Industry-Botanical Drug Products (Draft Guidance), US Food and Drug Administration, 2000, 8
[15] WHO, General Guidelines for Methodologies on Reasearch and Evaluation of Traditional Medicines. World Health Organization, Geneva, 2000: 1
[16] WHO, Good Manufacturing Pratice: Updated Supplementary Guidlines for the Manufacturing of Herbal Medicinal Products. World Health Organization 2004
[17] Note for Guidance on Quality for Herbal Medicinal Products(CPMP/ QWP/2819/00,EMEA/CVMP/814/00)
[18] Note for Guidance on Specifications:Test Procedures and Acceptance Criteria for Herbal Drugs.Herbal Drug Preparations and Herbal Medicinal Products (CPMP/QWP/2820/00, EMEA/CVMP/815/00)
[19]谢培山,色谱指纹图谱分析使中药质量控制的可行策略,中药新药与临床药理,2001,12(3):141～142
[20]谢培山,刍议中药指纹图谱的现状、发展和问题,中药材,2007,30(3):257～259
[21]易延逵,陈志良,杨永华,中药“全指纹图谱系”的探讨,中草药,2007,38(7):1105～1107
[22]乔善磊,朱臻宇,王建军等,中药指纹图谱相似度计算的规范化研究,第二军医大学学报,2004,25 (10):1114～1116
[23]林建阳,毕开顺,基于数理统计的药分相似度计算,数理医药杂志,2004,17(4):297～298
[24] Ying Xie, Zhi-Hong Jiang, Hua Zhou, et al. Combinative method using HPLC quantitative and qualitative analyses for quality consistency assessment of a herbal medicinal preparation, Journal of Pharmaceutical and Biomedical Analysis, 2007, 43: 204～212
[25] Yi-Zeng Liang, Pei-Shan Xie, Kelvin Chan, Quality control of herbal medicines, Journal of Chromatography B, 2004, 812: 53～57
[26] Yongnian Ni, Liangsheng Zhang, Jane Churchill, et al. Application of high performance liquid chromatography for the profiling of complex chemical mixtures with the aid of chemometrics, Talanta. 2007, 72: 1533～1539
[27]林蔚兰,曾令杰,梁惠瑜等,不同产地穿心莲药材HPLC指纹图谱初步研究,中成药,2007,29(5):730～733
[28]肖蓉,袁志芳,王春英等,不同产地黄芩药材HPLC指纹图谱的研究,中草药,2005,36(5):743～747
[29] Feng Niu, Zhanqi Niu, Guangbo Xie, et al. Development of an HPLC fingerprint for quality control of Radix Semiaquilegiae, Chromatogra- phia, 2006, 64: 593～597
[30] Lun-zhao Yi, Da-lin Yuan, Yi-zeng Liang, et al. Quality control and discrimination of Pericarpium Citri Reticulatae and Pericarpium Citri Reticulatae Viride based on high-performance liquid chromatographic fingerprints and multivariate statistical analysis, Analytica Chimica Acta. 2007, 588: 207～215
[31] Muhammad Ishtiaq Chaudhary, He Qing, Pei Gen Xiao, et al. Clematis huchouensis tamura:a Traditional Chinese Herbal Medicine and its quality control using a High Performance Liquid Chromatography technique, Biol. Pharm. Bull. 2007, 30 (1): 165～168
[32]冯子男,王智猛,潘义等,灯盏花素注射液的HPLC指纹图谱相似性评价,化学研究与应用,2006,18(5):495～497
[33]谭喜莹,陆红柳,赵陆华等,菟丝子药材HPLC指纹图谱研究,中国药学杂志,2008,43(1):14～17
[34]刘建娣,梁琼麟,罗国安等,刺五加注射液指纹图谱的建立及其在质量控制中的应用,中成药,2006,28(1):3～5
[35]冯雪松,刘雅茹,孟繁浩等,五味子药材HPLC指纹图谱的研究,化学与生物工程,2006,23(5):60～62
[36]冯文宇,邱华荣,田吉等,青银注射液指纹图谱实验研究,中国中药杂志,2004,29(2):141～146
[37]冀宪领,盖英萍,牟志美等,白僵蚕的红个指纹图谱鉴别研究,光谱学与光谱分析,2007,27(1):66～69
[38]张瑞芳,高幼衡,崔红花等,广佛手药材HPLC指纹图谱的研究,中草药,2007,38(7):1075～1077
[39] Feng Gan, Runyi Ye, New approach on similarity analysis of chromato- graphic fingerprint of herbal medicine, Journal of Chromatography A, 2006,1104: 100～105
[40] Marko Obradovic, Simona Strgulc Krajsek, Marina dermastia, et al. A new method for the authentication of plant samples by analyzing fingerprint Chromatograms, Phytochem. Anal. 2007,18: 123～132
[41] Sarah J. Dixon, Richard G. Brereton, Helena A. Soini, et al. An automated method for peak detection and matching in large gas chromatography-mass spectrometry data sets, J. Chemometrics, 2006, 20: 325～340
[42] Edward Minieka,Marcel Dekker,Translated by Li Jiaying(李家滢),Zhao Guanqi(赵关旗),Optimization AlgorithmsforNetwork and Graphs (网络和图的最优化算法),北京:中国铁道出版社,1984:36～46
[43]倪力军,王国东,郭佳,基于图论的色谱指纹图谱谱峰的全局匹配,分析化学,2006,34(10):1454～1458
[44] Dijkstra E W,A Note on Two Problems,l Connection with Graphs,Numerische Mathematik,1959,1: 269～276
[45] Nielsen P V,Carstensen J M,Smedsgaard J,Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping,Chromatogr.A,1998,805: 17～35
[46] Zhong-Da Zeng, Yi-Zeng Liang, Cheng-Jian Xu, Comparing chemical fingerprints of herbal medicines using modified window target-testing factor analysis, Anal Bioanal Chem, 2005, 381: 913～924
[47]罗国安,王义明,曹进,多维多息特征谱及其应用,中成药,2000,22 (6):395～397
[48]范骁辉,叶正良,程翼宇,基于信息融合的中药多元色谱指纹图谱相似性计算方法,高等学校化学学报,2006,27(1):26～29
[49]谢培山,中药指纹图谱在中药新药开发研究中的作用,中国新药杂志,2002,11(12):905～907
[50]沈春丽,刘学华,刘启平,浅析指纹图谱技术在中药质量控制中的作用,中医药导报,2005,11(5):81～82
[51]任德权,中药指纹图谱质控技术的意义与作用,中药材,2001,24(4):235～237
[52]谢培山,中药色谱指纹图谱,北京:人民卫生出版社,2005
[53]蔡宝昌,刘训红,常用中药材HPLC指纹图谱测定技术,北京:化学工业出版社,2005,28～29
[54]蒋晔,郝晓花,刘红菊,中药指纹图谱的构建与解析,中成药,2004,26(4):262～265
[55]程翼宇,余杰,吴永江,色谱数据可视化及天然植物药指纹特征发现方法,化学学报,2002,60(2):328～333
[56]洪筱坤,王智华,中药数字化色谱指纹谱,上海:上海科学技术出版社,2003,65～104,110～113
[57]程翼宇,瞿海斌等,医药分析信息学及分析数据处理技术,北京:化学工业出版社,2006
[58]陈闽军,程翼宇,基于遗传算法的色谱指纹峰配对识别方法,分析化学,2003,31(5):513～517
[59]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,中成药,2002,24(12):905～908
[60]李建平,严中洪,张万萍,一种新的面向信号处理的小波变换加速算法,软件学报,2002,13(7):1338～1344
[61]潘忠孝,邵学广,仲红波等,小波变换用于高效液相色谱的基线校正,分析化学,1996,24(2):149～153
[62]梁逸曾,俞汝勤,化学计量学,北京:高等教育出版社,2003,85～90
[63] Massart D. L.,Vandeginste B. G.M., Buydens L. M.C., et al. Smeyers-Verbeke J.Handbook of Chemometrics and Qualimetrics, Elsevier, Amsterdam, 1997
[64]李博岩,粱逸曾,胡芸等,中药色谱指纹图谱组分保留时间漂移的校准,分析化学,2004,32(3):3l3～316
[65]杨云,朱学峰,基于第二代小波动变换的中药指纹图谱的基线提取,华南理工大学学报(自然科学版),2007,35(1):49～52
[66]罗积玉,邢瑛,经济统计分析方法及预测,北京:清华大学出版社,1987,162～167
[67] Naomie Salim, John Holliday, and Peter Willett, Combination of fingerprint- based similarity coefficients using data fusion, J. Chem. Inf. Comput. Sci. 2003, 43: 435～442
[68]何昱,洪筱坤,王智华,重叠率在绿茶和茶多酚指纹谱研究中的应用,中成药,2006,28(7):1021～1024
[69]孟庆华,刘永锁,王健松等,色谱指纹图谱相似度的新算法及其应用,中成药,2003,25(1):4～8
[70]刘永锁,孟庆华,蒋淑敏等,相似系统理论用于中药色谱指纹图谱的相似度评价,色谱,2005,23(2):158～163
[71]刘永锁,曹敏,王义明等,相似系统理论定量评价中药材色谱指纹图谱的相似度,分析化学,2006,34(3):333～337
[72]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,化学学报,2002,60(11):2017～2021
[73]罗佩章,张祥民,色谱理论基础,北京:科学出版社,1997
[74]洪筱坤,王智华,中药质量标准的现代化与色谱指纹谱,世界科学技术一中药现代化,2000,2(6):20～23,58
[75]张聪,王智华,金德庄,中国红参与高丽红参的指纹谱(HPLC-FPS)比较研究,中成药,2001,23(3):160～163
[76]聂磊,曹进,罗国安等,中药指纹图谱相似度评价方法的比较,中成药,2005,27(3):249～252
[77]王玺,王文字,张克荣等,中药HPLC指纹图谱相似性研究的探讨,沈阳药科大学学报,2003,20(5):360～362,366
[78]田润涛,谢培山,色谱指纹图谱相似度评价方法的规范化研究(一),中药新药与临床药理,2006,17(1):40～42,54
[79]中药色谱指纹图谱相似度评价系统(2004A),国家药典委员会,2004
[80]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,药学学报,2002,37(9):713～717
[81]曾令杰,陈矛,王德勤,HPLC指纹图谱的中成药质量控制模式研究,中成药,2003,25(5):347～348
[82]周美立,吴报任,系统相似度数值方法,安徽工学院学报,1991,10(3):67～73
[83]周美立,相似系统探讨,系统工程理论与实践,1991,11(6):51～55
[84]周美立,王浣尘,相似系统的分析与度量,系统工程,1996,14(4):1～6
[85]罗积玉,邢瑛,苏显康等,微机用多元统计分析软件,成都:四川科学技术出版社,1986,211～215
[86]梁宗锁,杨东风,中药指纹图谱相似性评价研究进展,现代中药研究与实践,2006,20(5):55～59
[87]罗旭,化学统计学,北京:科学出版社,2001,376～377
[88]刘群,李素建,基于《知网》的词汇语义相似度计算,中文计算语言学,2002,7(2):59～76
[89] Torriani S., Zapparoli G., Dellaglio F. Use of PCR-Based methods for rapid differentiation of Lactobacillus delbrueckii subsp. bulgaricus and L. delbrueckii subsp. lactis. Applied and Environment Microbiology, 1999, 65(10): 4351～4356
[90] Rull V., A palynological record of a secondary succession after fire in the Gran Sabana, Venezuela. Journal of Quaternary Science, 1999, 14(2): 137～152
[91] Kendrick B.S., Dong A., Allison D., et al. Quantitation of the area of overlap between second-derivative amide I infrared spectra to determine the structural similarity of a protein in different states.J. Pharm. Sci., 1995, 85(2): 155～158
[92] Williams C A, Bale P. Bias and limits of agreement between hydrodensi- tometry, bioelectrical impedance and skinfold calipers measures of percentage body fat. Eur. J. Appl. Physiol., 1998, 77(3): 271～277
[93] Rundle, H.D., D.A. Jackson, Spatial and temporal variation in littoral- zone fish communities:a new statistical approach. Can. J. Fish. Aquat. Sci., 1996, 53: 2167～2176
[94]阴小林,中药指纹图谱数据的统计分析:[博士学位论文],长春;东北师范大学,2006
[95]陈希孺,王松桂,近代回归分析-原理方法及应用,安徽教育出版社,1987
[96]兰秋军,马超群,时序相似度的主观偏好模型及其系数估计的“锚点”方法,中国科技论文在线,http://www.paper.edu.cn
[97]魏刚,均值相似度与区间相似度在石菖蒲GC-MS特征指纹图谱中的比较,中药新药与临床药理,2005,16(5):385～388
[98]刘树林,多属性决策理论方法与应用研究:[博士学位论文],北京;北京航空航天大学,1997
[99]张子贤,论最小二乘法回归分析中的几个问题,河北水利水电技术,2002,5:15～17
[100] Kai-Tai Fang, Yi-Zeng Liang, Xiao-lin Yin, et al. Critical value determination on similarity of fingerprints,Chemometrics and Intelligent Laboratory Systems 2006, 82: 236～240
[101] Eforn B, Tibshirani RI, An introduction to the bootstrap, New York:Chap man & Hall, 1994
[102] Sitter RV, Bootstrap methods for survey data, Can J Statist, 1992, 20: 135～154
[103] Stephen RC, Simple bootstrap statistical inference using the SAS system, Computer Methods and Programs in Biomedicine, 1999, 60: 79～82
[104]孔丹莉,丁元林,非参数bootstrap方法及其应用,数理医药学杂志,2006,19(3):232～233
[2]周玉新,现代中药鉴定技术,北京:化学工业出版社,2004,10～15
[3]谢培山,中药指纹图谱概念-属性-技术-应用,中国中药杂志,2001,26(10):653～655
[4]周玉新,雷海明,徐永红等,中药指纹图谱研究技术,北京:化学工业出版社,2002,107～116
[5]罗国安,王义明,中药指纹图谱的分类和发展,中国新药杂志,2002,11(1):46～51
[6] Hasler A, Sticher O, Meier B, Identification and determination of the flavonoids from Ginkgo Biloba by high-performance liquid chromatogramphy.Journal of Chromatography A, 1992, 605: 41～47
[7] Shi-xuan Zhang, Feng-hong Zhang, Xiao-na Li, et al. Evaluation of Daphne genk-wa Diterpenes:Fingerprint and Quantitative Analysis by High Performance Liquid Chromatography, Phytochem. Anal. 2007, 18: 91～97
[8] Guoxiang Xie, Aihua Zhao, Peng Li, et al. Fingerprint analysis of Rhizoma chuanxiong by pressurized capillary electrochromatography and high perfor -mance liquid chromatography, Biomed. Chromatogr. 2007, 21: 867～875
[9] Hong-Liang Ma, Min-Jian Qin, Lian-Wen Qi, et al. Improved quality evaluation of Radix Salvia miltiorrhiza through simultaneous quantification of seven major active components by high-performance liquid chromatography and principal component analysis, Biomed. Chromatogr. 2007, 21: 931～939
[10] Famei Li, Bo Yuan, Zhili Xiong, et al. Fingerprint analysis of Flos Lonicerae japonicae using binary HPLC profiling, Biomed. Chromatogr. 2006, 20: 634～641
[11]万绍晖,万绍明,康廷国,系统科学在中药质量控制中的运用,时珍国医国药,2005,16(5):457～459
[12]国家药品监督管理局,中药注射剂指纹图谱研究的技术要求(暂行),中国药品标准,2000,1 (4):3～7
[13]国家药典委员会,中药注射剂指纹图谱实验研究技术指南(试行),2002
[14] FDA Guidance for Industry-Botanical Drug Products (Draft Guidance), US Food and Drug Administration, 2000, 8
[15] WHO, General Guidelines for Methodologies on Reasearch and Evaluation of Traditional Medicines. World Health Organization, Geneva, 2000: 1
[16] WHO, Good Manufacturing Pratice: Updated Supplementary Guidlines for the Manufacturing of Herbal Medicinal Products. World Health Organization 2004
[17] Note for Guidance on Quality for Herbal Medicinal Products(CPMP/ QWP/2819/00,EMEA/CVMP/814/00)
[18] Note for Guidance on Specifications:Test Procedures and Acceptance Criteria for Herbal Drugs.Herbal Drug Preparations and Herbal Medicinal Products (CPMP/QWP/2820/00, EMEA/CVMP/815/00)
[19]谢培山,色谱指纹图谱分析使中药质量控制的可行策略,中药新药与临床药理,2001,12(3):141～142
[20]谢培山,刍议中药指纹图谱的现状、发展和问题,中药材,2007,30(3):257～259
[21]易延逵,陈志良,杨永华,中药“全指纹图谱系”的探讨,中草药,2007,38(7):1105～1107
[22]乔善磊,朱臻宇,王建军等,中药指纹图谱相似度计算的规范化研究,第二军医大学学报,2004,25 (10):1114～1116
[23]林建阳,毕开顺,基于数理统计的药分相似度计算,数理医药杂志,2004,17(4):297～298
[24] Ying Xie, Zhi-Hong Jiang, Hua Zhou, et al. Combinative method using HPLC quantitative and qualitative analyses for quality consistency assessment of a herbal medicinal preparation, Journal of Pharmaceutical and Biomedical Analysis, 2007, 43: 204～212
[25] Yi-Zeng Liang, Pei-Shan Xie, Kelvin Chan, Quality control of herbal medicines, Journal of Chromatography B, 2004, 812: 53～57
[26] Yongnian Ni, Liangsheng Zhang, Jane Churchill, et al. Application of high performance liquid chromatography for the profiling of complex chemical mixtures with the aid of chemometrics, Talanta. 2007, 72: 1533～1539
[27]林蔚兰,曾令杰,梁惠瑜等,不同产地穿心莲药材HPLC指纹图谱初步研究,中成药,2007,29(5):730～733
[28]肖蓉,袁志芳,王春英等,不同产地黄芩药材HPLC指纹图谱的研究,中草药,2005,36(5):743～747
[29] Feng Niu, Zhanqi Niu, Guangbo Xie, et al. Development of an HPLC fingerprint for quality control of Radix Semiaquilegiae, Chromatogra- phia, 2006, 64: 593～597
[30] Lun-zhao Yi, Da-lin Yuan, Yi-zeng Liang, et al. Quality control and discrimination of Pericarpium Citri Reticulatae and Pericarpium Citri Reticulatae Viride based on high-performance liquid chromatographic fingerprints and multivariate statistical analysis, Analytica Chimica Acta. 2007, 588: 207～215
[31] Muhammad Ishtiaq Chaudhary, He Qing, Pei Gen Xiao, et al. Clematis huchouensis tamura:a Traditional Chinese Herbal Medicine and its quality control using a High Performance Liquid Chromatography technique, Biol. Pharm. Bull. 2007, 30 (1): 165～168
[32]冯子男,王智猛,潘义等,灯盏花素注射液的HPLC指纹图谱相似性评价,化学研究与应用,2006,18(5):495～497
[33]谭喜莹,陆红柳,赵陆华等,菟丝子药材HPLC指纹图谱研究,中国药学杂志,2008,43(1):14～17
[34]刘建娣,梁琼麟,罗国安等,刺五加注射液指纹图谱的建立及其在质量控制中的应用,中成药,2006,28(1):3～5
[35]冯雪松,刘雅茹,孟繁浩等,五味子药材HPLC指纹图谱的研究,化学与生物工程,2006,23(5):60～62
[36]冯文宇,邱华荣,田吉等,青银注射液指纹图谱实验研究,中国中药杂志,2004,29(2):141～146
[37]冀宪领,盖英萍,牟志美等,白僵蚕的红个指纹图谱鉴别研究,光谱学与光谱分析,2007,27(1):66～69
[38]张瑞芳,高幼衡,崔红花等,广佛手药材HPLC指纹图谱的研究,中草药,2007,38(7):1075～1077
[39] Feng Gan, Runyi Ye, New approach on similarity analysis of chromato- graphic fingerprint of herbal medicine, Journal of Chromatography A, 2006,1104: 100～105
[40] Marko Obradovic, Simona Strgulc Krajsek, Marina dermastia, et al. A new method for the authentication of plant samples by analyzing fingerprint Chromatograms, Phytochem. Anal. 2007,18: 123～132
[41] Sarah J. Dixon, Richard G. Brereton, Helena A. Soini, et al. An automated method for peak detection and matching in large gas chromatography-mass spectrometry data sets, J. Chemometrics, 2006, 20: 325～340
[42] Edward Minieka,Marcel Dekker,Translated by Li Jiaying(李家滢),Zhao Guanqi(赵关旗),Optimization AlgorithmsforNetwork and Graphs (网络和图的最优化算法),北京:中国铁道出版社,1984:36～46
[43]倪力军,王国东,郭佳,基于图论的色谱指纹图谱谱峰的全局匹配,分析化学,2006,34(10):1454～1458
[44] Dijkstra E W,A Note on Two Problems,l Connection with Graphs,Numerische Mathematik,1959,1: 269～276
[45] Nielsen P V,Carstensen J M,Smedsgaard J,Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping,Chromatogr.A,1998,805: 17～35
[46] Zhong-Da Zeng, Yi-Zeng Liang, Cheng-Jian Xu, Comparing chemical fingerprints of herbal medicines using modified window target-testing factor analysis, Anal Bioanal Chem, 2005, 381: 913～924
[47]罗国安,王义明,曹进,多维多息特征谱及其应用,中成药,2000,22 (6):395～397
[48]范骁辉,叶正良,程翼宇,基于信息融合的中药多元色谱指纹图谱相似性计算方法,高等学校化学学报,2006,27(1):26～29
[49]谢培山,中药指纹图谱在中药新药开发研究中的作用,中国新药杂志,2002,11(12):905～907
[50]沈春丽,刘学华,刘启平,浅析指纹图谱技术在中药质量控制中的作用,中医药导报,2005,11(5):81～82
[51]任德权,中药指纹图谱质控技术的意义与作用,中药材,2001,24(4):235～237
[52]谢培山,中药色谱指纹图谱,北京:人民卫生出版社,2005
[53]蔡宝昌,刘训红,常用中药材HPLC指纹图谱测定技术,北京:化学工业出版社,2005,28～29
[54]蒋晔,郝晓花,刘红菊,中药指纹图谱的构建与解析,中成药,2004,26(4):262～265
[55]程翼宇,余杰,吴永江,色谱数据可视化及天然植物药指纹特征发现方法,化学学报,2002,60(2):328～333
[56]洪筱坤,王智华,中药数字化色谱指纹谱,上海:上海科学技术出版社,2003,65～104,110～113
[57]程翼宇,瞿海斌等,医药分析信息学及分析数据处理技术,北京:化学工业出版社,2006
[58]陈闽军,程翼宇,基于遗传算法的色谱指纹峰配对识别方法,分析化学,2003,31(5):513～517
[59]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,中成药,2002,24(12):905～908
[60]李建平,严中洪,张万萍,一种新的面向信号处理的小波变换加速算法,软件学报,2002,13(7):1338～1344
[61]潘忠孝,邵学广,仲红波等,小波变换用于高效液相色谱的基线校正,分析化学,1996,24(2):149～153
[62]梁逸曾,俞汝勤,化学计量学,北京:高等教育出版社,2003,85～90
[63] Massart D. L.,Vandeginste B. G.M., Buydens L. M.C., et al. Smeyers-Verbeke J.Handbook of Chemometrics and Qualimetrics, Elsevier, Amsterdam, 1997
[64]李博岩,粱逸曾,胡芸等,中药色谱指纹图谱组分保留时间漂移的校准,分析化学,2004,32(3):3l3～316
[65]杨云,朱学峰,基于第二代小波动变换的中药指纹图谱的基线提取,华南理工大学学报(自然科学版),2007,35(1):49～52
[66]罗积玉,邢瑛,经济统计分析方法及预测,北京:清华大学出版社,1987,162～167
[67] Naomie Salim, John Holliday, and Peter Willett, Combination of fingerprint- based similarity coefficients using data fusion, J. Chem. Inf. Comput. Sci. 2003, 43: 435～442
[68]何昱,洪筱坤,王智华,重叠率在绿茶和茶多酚指纹谱研究中的应用,中成药,2006,28(7):1021～1024
[69]孟庆华,刘永锁,王健松等,色谱指纹图谱相似度的新算法及其应用,中成药,2003,25(1):4～8
[70]刘永锁,孟庆华,蒋淑敏等,相似系统理论用于中药色谱指纹图谱的相似度评价,色谱,2005,23(2):158～163
[71]刘永锁,曹敏,王义明等,相似系统理论定量评价中药材色谱指纹图谱的相似度,分析化学,2006,34(3):333～337
[72]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,化学学报,2002,60(11):2017～2021
[73]罗佩章,张祥民,色谱理论基础,北京:科学出版社,1997
[74]洪筱坤,王智华,中药质量标准的现代化与色谱指纹谱,世界科学技术一中药现代化,2000,2(6):20～23,58
[75]张聪,王智华,金德庄,中国红参与高丽红参的指纹谱(HPLC-FPS)比较研究,中成药,2001,23(3):160～163
[76]聂磊,曹进,罗国安等,中药指纹图谱相似度评价方法的比较,中成药,2005,27(3):249～252
[77]王玺,王文字,张克荣等,中药HPLC指纹图谱相似性研究的探讨,沈阳药科大学学报,2003,20(5):360～362,366
[78]田润涛,谢培山,色谱指纹图谱相似度评价方法的规范化研究(一),中药新药与临床药理,2006,17(1):40～42,54
[79]中药色谱指纹图谱相似度评价系统(2004A),国家药典委员会,2004
[80]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,药学学报,2002,37(9):713～717
[81]曾令杰,陈矛,王德勤,HPLC指纹图谱的中成药质量控制模式研究,中成药,2003,25(5):347～348
[82]周美立,吴报任,系统相似度数值方法,安徽工学院学报,1991,10(3):67～73
[83]周美立,相似系统探讨,系统工程理论与实践,1991,11(6):51～55
[84]周美立,王浣尘,相似系统的分析与度量,系统工程,1996,14(4):1～6
[85]罗积玉,邢瑛,苏显康等,微机用多元统计分析软件,成都:四川科学技术出版社,1986,211～215
[86]梁宗锁,杨东风,中药指纹图谱相似性评价研究进展,现代中药研究与实践,2006,20(5):55～59
[87]罗旭,化学统计学,北京:科学出版社,2001,376～377
[88]刘群,李素建,基于《知网》的词汇语义相似度计算,中文计算语言学,2002,7(2):59～76
[89] Torriani S., Zapparoli G., Dellaglio F. Use of PCR-Based methods for rapid differentiation of Lactobacillus delbrueckii subsp. bulgaricus and L. delbrueckii subsp. lactis. Applied and Environment Microbiology, 1999, 65(10): 4351～4356
[90] Rull V., A palynological record of a secondary succession after fire in the Gran Sabana, Venezuela. Journal of Quaternary Science, 1999, 14(2): 137～152
[91] Kendrick B.S., Dong A., Allison D., et al. Quantitation of the area of overlap between second-derivative amide I infrared spectra to determine the structural similarity of a protein in different states.J. Pharm. Sci., 1995, 85(2): 155～158
[92] Williams C A, Bale P. Bias and limits of agreement between hydrodensi- tometry, bioelectrical impedance and skinfold calipers measures of percentage body fat. Eur. J. Appl. Physiol., 1998, 77(3): 271～277
[93] Rundle, H.D., D.A. Jackson, Spatial and temporal variation in littoral- zone fish communities:a new statistical approach. Can. J. Fish. Aquat. Sci., 1996, 53: 2167～2176
[94]阴小林,中药指纹图谱数据的统计分析:[博士学位论文],长春;东北师范大学,2006
[95]陈希孺,王松桂,近代回归分析-原理方法及应用,安徽教育出版社,1987
[96]兰秋军,马超群,时序相似度的主观偏好模型及其系数估计的“锚点”方法,中国科技论文在线,http://www.paper.edu.cn
[97]魏刚,均值相似度与区间相似度在石菖蒲GC-MS特征指纹图谱中的比较,中药新药与临床药理,2005,16(5):385～388
[98]刘树林,多属性决策理论方法与应用研究:[博士学位论文],北京;北京航空航天大学,1997
[99]张子贤,论最小二乘法回归分析中的几个问题,河北水利水电技术,2002,5:15～17
[100] Kai-Tai Fang, Yi-Zeng Liang, Xiao-lin Yin, et al. Critical value determination on similarity of fingerprints,Chemometrics and Intelligent Laboratory Systems 2006, 82: 236～240
[101] Eforn B, Tibshirani RI, An introduction to the bootstrap, New York:Chap man & Hall, 1994
[102] Sitter RV, Bootstrap methods for survey data, Can J Statist, 1992, 20: 135～154
[103] Stephen RC, Simple bootstrap statistical inference using the SAS system, Computer Methods and Programs in Biomedicine, 1999, 60: 79～82
[104]孔丹莉,丁元林,非参数bootstrap方法及其应用,数理医药学杂志,2006,19(3):232～233