Pietraś Rafal, Skibiński Robert, Trebacz Hanna, Gumieniczek Anna
Medical University of Lublin, Department of Medicinal Chemistry, Lublin, Poland.
J AOAC Int. 2012 May-Jun;95(3):699-703. doi: 10.5740/jaoacint.sge_pietras.
Fifteen essential oils of pharmaceutical grade were fingerprinted by five techniques: TLC, GC, HPLC, attenuated total reflectance FTIR spectroscopy, and differential scanning calorimetry (DSC). Denoising and baseline removal was found to be a crucial step for correct comparative analysis. Standardization of the signal was not necessary in the presented case; however, it should be considered and checked in each case. Due to small variance explained by first two principal components (below 50%) and outlying observations, the main analysis was performed by Euclidean dendrograms. It was found that almost all techniques besides DSC find real chemical similarities; however, DSC can be used as an additional tool. The similarities among the five techniques were also compared and discussed.
采用薄层色谱法（TLC）、气相色谱法（GC）、高效液相色谱法（HPLC）、衰减全反射傅里叶变换红外光谱法（ATR-FTIR）和差示扫描量热法（DSC）等五种技术对15种药用级精油进行了指纹图谱分析。发现去噪和基线校正对于正确的对比分析是至关重要的一步。在本案例中不需要对信号进行标准化处理；然而，在每种情况下都应予以考虑并进行检查。由于前两个主成分解释的方差较小（低于50%）且存在异常观测值，主要分析采用欧几里得树形图进行。结果发现，除DSC外，几乎所有技术都能发现真正的化学相似性；不过，DSC可作为一种辅助工具。还对这五种技术之间的相似性进行了比较和讨论。
