Application of two-dimensional gas chromatography combined with pixel-based chemometric processing for the chemical profiling of illicit drug samples

Comprehensive two dimensional gas chromatography review

“…Cordero et al [128] used template matching in GC-Image to determine the number of matches to a reference for the determination of allergens in essential oils. Groger et al [129] dealt with the interesting forensic problem of determining whether illicit drug samples came from the same source or a different source. The authors used the alignment procedure of Tomasi [130] to prepare chromatograms of illicit drug samples for PCA.…”

Pixel-Level Data Analysis Methods for Comprehensive Two-Dimensional Chromatography

“…While all of these alignment algorithm approaches have merit, for the chemometric analysis of pixel-level data, the most commonly applied preprocessing approaches implemented are the latter. The locally and globally optimized alignment algorithms can handle severe and dynamic shifting in comprehensive 2D chromatography applications, because they are robust, powerful, and essentially automated in every regard after the initial parameter selections have been made by the analyst [24,50,51,[54][55][56][57][58][59].…”

“…There are different approaches to "chemometrically" address data analysis, and in the context of this chapter, we refer to the dependence on the data-level. Data from comprehensive 2D chromatography separations can be analyzed, on the following three levels: pixel [24], peak table [25,26], or peak region [27,28] basis. While all of these three levels of data are utilized [29,30], the peak table-level and peak region-level approaches are firmly provided by the instrument manufacturers, and hence the analyst must apply such software in the commercially available state.…”

Multidimensional and Comprehensive Two-Dimensional Gas Chromatography

“…ToF MS, qMS [194][195][196][197][198] Chemical profiling of illicit drug samples FID, ToF MS [199] Chemical warfare agents in environmental samples ToF MS [200] Powdered incense headspace and incense smoke μECD/NPD, ToF MS [201] In a project on in situ measurements of atmospheric VOCs, TD-GCÂGC-FID showed the presence of several hundred well-separated peaks in air samples taken at a ground station on Crete [131,132]. In order to facilitate peak identification, cartridge samples were collected and subjected to GCÂGC-ToF MS.…”