Streamlining group type analysis with GC×GC templates V-A alignment (Daniel Geschwender, MDCW 2024)

🎤 Presenter: Daniel Geschwender, Qingping Tao, Chase Heble (GC Image, LINCOLN, USA)

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💡 Book in your calendar: 16th Multidimensional Chromatography Workshop (MDCW) 3 - 5. February 2025

Abstract

Comprehensive two-dimensional gas chromatography (GC×GC) is a powerful technique for the group type analysis of complex sample mixtures. Standard methods using GC×GC-FID such as UOP 990 and ASTM D8396 have been established. However, these methods require careful alignment between the chromatograms and standard templates for accurate quantification.

To address this challenge, we have developed various models and interpolation methods for correcting retention time shifts in whole chromatograms. These models enable software to adapt the template to individual samples automatically. In addition, we are exploring several computer vision approaches for both automated peak matching and as a quality control measure of the alignment of individual groups. These approaches utilize a computer vision model that captures the location and distribution of reference peaks to assess the alignment of individual groups and ensure the reliability of the group type quantification results.

Together, these approaches provide a foundation to develop a workflow that streamlines the transfer of standard templates across GC×GC chromatograms, improve the accuracy and efficiency of group type quantification, and facilitate the adoption of standard methods for routine analysis.