| Title: | Non-Targeted Screening Approaches for Profiling of Volatile Organic Compounds Based on Gas Chromatography-Ion Mobility Spectroscopy (GC-IMS) and Machine Learning |
| Address: | "Institute for Instrumental Analytics and Bioanalytics, Mannheim University of Applied Sciences, 68163 Mannheim, Germany" |
| DOI: | 10.3390/molecules26185457 |
| ISSN/ISBN: | 1420-3049 (Electronic) 1420-3049 (Linking) |
| Abstract: | "Due to its high sensitivity and resolving power, gas chromatography-ion mobility spectrometry (GC-IMS) is a powerful technique for the separation and sensitive detection of volatile organic compounds. It is a robust and easy-to-handle technique, which has recently gained attention for non-targeted screening (NTS) approaches. In this article, the general working principles of GC-IMS are presented. Next, the workflow for NTS using GC-IMS is described, including data acquisition, data processing and model building, model interpretation and complementary data analysis. A detailed overview of recent studies for NTS using GC-IMS is included, including several examples which have demonstrated GC-IMS to be an effective technique for various classification and quantification tasks. Lastly, a comparison of targeted and non-targeted strategies using GC-IMS are provided, highlighting the potential of GC-IMS in combination with NTS" |
| Keywords: | gas chromatography ion mobility spectroscopy (GC-IMS) non-targeted screening (NTS) using machine learning volatile organic compounds (VOCs); |
| Notes: | "PubMed-not-MEDLINECapitain, Charlotte Weller, Philipp eng Review Switzerland 2021/09/29 Molecules. 2021 Sep 8; 26(18):5457. doi: 10.3390/molecules26185457" |
