Chris Freye: Discovery analysis for GCxGC trends using alteration and 2D correlation (MDCW 2026)

Описание: 🎤 Presenter: Christopher Freye (Los Alamos National Laboratory)
💾 PDF presentation: https://gcms.labrulez.com/labrulez-bu...

Abstract

Two-dimensional gas chromatography (GC×GC) when coupled with mass spectrometry (MS) especially high-resolution mass spectrometry (HRMS) provides the ideal technique to discover minute chemical changes. However, GC×GC analyses result in extremely large datasets (GBs of information) wherein the statistically significant chemical changes are buried within the background chemical matrix. To combat these issues, many chemometric techniques have been developed or applied. Recently we introduced a new chemometric technique for GC-MS termed alteration analysis (ALA) and two-dimensional correlation (2DCOR) which can be used to discover statistically significant chemical changes across a series of chromatograms and understand the relationship between the statistically relevant changes. ALA generates three sets of information, the basic alteration map (BAM) which is the magnitude of the change, the synchronous alteration map (SAM) which describes the linear change, and the asynchronous alteration map (AAM) which describes the non-linear change. 2DCOR can then be used to understand the relationship between the chemical changes but 2DCOR can also resolve the sequence of the changes. A workflow for GC×GC-MS will be demonstrated. Special attention will be given to what differentiates the GC×GC work flow from GC for both the ALA and 2DCOR

💡 The Multidimensional Chromatography Workshop (MDCW) Profile LabRulezGCMS (EN):
👉 https://gcms.labrulez.com/companies/218

💡 The Multidimensional Chromatography Workshop (MDCW) Profile LabRulezLCMS (EN):
👉 https://lcms.labrulez.com/companies/218