Yan Shi-Kai, Xin Wen-Feng, Luo Guo-An, Wang Yi-Ming, Cheng Yi-Yu
Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310027, PR China.
J Chromatogr A. 2005 Oct 7;1090(1-2):90-7. doi: 10.1016/j.chroma.2005.07.066.
An approach was proposed to develop two-dimensional fingerprint (2D fingerprint) by means of principal component analysis (PCA) of high-performance liquid chromatography with diode array detection (HPLC/DAD) data. The approach was applied to establish 2D fingerprints of various Qingkailing injections which were produced by different manufacturers and procedures. In comparison with common one-dimensional fingerprint (ID fingerprint) at fixed wavelength, 2D fingerprint compiled additional spectral data and was hence more informative. Principal component analysis of the 2D fingerprint data was performed in this study, and it led to an accurate classification of various samples on their manufacturers and procedures. The quality of Qingkailing samples was further evaluated by similarity measures and the same results were achieved. For comparison, four conventional ID fingerprints were also applied to the quality assessment for the same samples. Finally, we demonstrated that 2D fingerprint was a more powerful tool to characterize the quality of samples, and could be used to comprehensively conduct the quality control of traditional Chinese medicines.
提出了一种通过对高效液相色谱-二极管阵列检测（HPLC/DAD）数据进行主成分分析（PCA）来开发二维指纹图谱（2D指纹图谱）的方法。该方法应用于建立不同厂家和生产工艺的各类清开灵注射液的2D指纹图谱。与固定波长下的普通一维指纹图谱（1D指纹图谱）相比，2D指纹图谱汇编了额外的光谱数据，因此信息更丰富。本研究对2D指纹图谱数据进行了主成分分析，结果实现了对不同样品基于厂家和生产工艺的准确分类。通过相似度评价进一步评估了清开灵样品的质量，得到了相同的结果。为作比较，还将四种传统的1D指纹图谱应用于相同样品的质量评估。最后，我们证明2D指纹图谱是表征样品质量的更有力工具，可用于全面开展中药的质量控制。
