Vial Jérôme, Noçairi Hicham, Sassiat Patrick, Mallipatu Sreedhar, Cognon Guillaume, Thiébaut Didier, Teillet Béatrice, Rutledge Douglas N
Laboratoire Environnement et Chimie Analytique, ESPCI ParisTech - CNRS UMR 7121, 10 rue Vauquelin, 75 005 Paris, France.
J Chromatogr A. 2009 Apr 3;1216(14):2866-72. doi: 10.1016/j.chroma.2008.09.027. Epub 2008 Sep 13.
Comprehensive two-dimensional gas chromatography (GC x GC) is now recognized as the preferred technique for the detailed analysis and characterization of complex mixtures of volatile compounds. However, for comparison purposes, taking into account all the information contained in the chromatogram is far from trivial. In this paper, it is shown that the combination of peak alignment by dynamic time warping and multivariate analysis facilitated the comparison of complex chromatograms of tobacco extracts. The comparison is shown to be efficient enough to provide a clear discrimination among three types of tobacco. A tentative interpretation of loadings is presented in order to give access to the compounds which differ from one sample to another. Once located, mass spectrometry was used to identify markers of tobacco type.
全二维气相色谱法（GC×GC）现已被公认为是详细分析和表征挥发性化合物复杂混合物的首选技术。然而，出于比较目的，考虑色谱图中包含的所有信息绝非易事。本文表明，动态时间规整峰对齐与多变量分析相结合有助于比较烟草提取物的复杂色谱图。结果表明，这种比较效率足够高，能够清晰地区分三种烟草类型。为了找出不同样品间存在差异的化合物，对载荷进行了初步解释。一旦确定，便使用质谱法来鉴定烟草类型的标志物。
