About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Algorithms Development in Materials Science and Engineering
|
| Presentation Title |
Application of Alteration Analysis Coupled with Two-Dimensional Correlation Analysis to Multidimensional Gas Chromatography High-Resolution Mass Spectral Data |
| Author(s) |
Matthew J. Herman, Chris E. Freye |
| On-Site Speaker (Planned) |
Matthew J. Herman |
| Abstract Scope |
Two-dimensional gas chromatography (GC×GC) and other multidimensional techniques offer enhanced separation and identification of complex mixtures, ideal for the determination of minute chemical changes. However, the vast amount of data generated poses significant analytical challenges. Typically, class-based chemometric data analysis techniques are used to analyze and interpret chemical data, and rely on the use of distinct classes or groups to determine chemical differences. The use of classes or groups limits chemometric analysis techniques from discovering the relationships of how a chemical system changes across a series of experiments. Alteration Analysis (ALA) coupled with two-dimensional correlation analysis (2DCOR) has only recently been introduced to the field of chromatography. High-resolution mass spectrometry (HRMS) data, processed by ALA and 2DCOR has shown that ALA and 2DCOR are robust tools for the determination of statistically significant chemical trends and a data reduction methodology. |
| Proceedings Inclusion? |
Planned: |