scholarly journals Non-Targeted Screening Approaches for Profiling of Volatile Organic Compounds Based on Gas Chromatography-Ion Mobility Spectroscopy (GC-IMS) and Machine Learning

Molecules ◽  
2021 ◽  
Vol 26 (18) ◽  
pp. 5457
Author(s):  
Charlotte Capitain ◽  
Philipp Weller
Keyword(s):  
Gas Chromatography ◽  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Ion Mobility ◽  
Model Building ◽  
High Sensitivity ◽  
Resolving Power ◽  
Model Interpretation ◽  
Targeted Screening ◽  
Volatile Organic

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.

scholarly journals Metabolic Footprint Analysis of Volatile Organic Compounds by Gas Chromatography-Ion Mobility Spectrometry to Discriminate Mandarin Fish (Siniperca chuatsi) at Different Fermentation Stages

2021 ◽  
Vol 9 ◽  
Author(s):  
Yueqi Wang ◽  
Yanyan Wu ◽  
Yingying Shen ◽  
Chunsheng Li ◽  
Yongqiang Zhao ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Mandarin Fish ◽  
Siniperca Chuatsi ◽  
Fish Samples ◽  
Volatile Organic ◽  
Aroma Characteristics

Chinese fermented mandarin fish (Siniperca chuatsi) have unique aroma characteristics that are appreciated by local consumers. In this study, electronic nose (E-nose) and gas chromatography–ion mobility spectrometry analyses were combined to establish a volatile fingerprint of fermented mandarin fish during fermentation. Clear separation of the data allowed mandarin fish samples at different fermentation stages to be distinguishing using E-nose analysis. Forty-three volatile organic compounds were identified during fermentation. Additionally, partial least squares discrimination analysis was performed to screen for different VOC metabolites in the fermented mandarin fish; the levels of six VOCs changed significantly during fermentation (variable importance in projection >1; p < 0.05). Three VOCs, i.e., hexanal-D, nonanal, and limonene were identified as potential biomarkers for fermentation. This study provided a theoretical basis for flavor real-time monitoring and quality control of traditional mandarin fish fermentation.

scholarly journals Fast discrimination of avocado oil for different extracted methods using headspace-gas chromatography-ion mobility spectroscopy with PCA based on volatile organic compounds

2021 ◽  
Vol 19 (1) ◽  
pp. 367-376
Author(s):  
Yi-Jun Liu ◽  
Xiao Gong ◽  
Wei Jing ◽  
Li-Jing Lin ◽  
Wei Zhou ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Volatile Organic Compounds ◽  
Organic Compounds ◽  
Ion Mobility ◽  
Extraction Methods ◽  
Headspace Gas Chromatography ◽  
Avocado Oil ◽  
Volatile Organic ◽  
Headspace Gas ◽  
Ion Mobility Spectroscopy

Abstract To establish a method for fast discrimination of avocado oil for different extracted methods, the headspace-gas chromatography-ion mobility spectroscopy (HS-GC-IMS) combined with principal component analysis (PCA) was used to analyze non-target volatile organic compounds (VOCs). The results showed that 40 VOCs were identified, and the VOCs of the extraction method had a significant difference and had been well distinguished in PCA. The species and content of avocado oil obtained by squeeze method were more than the aqueous methods and supercritical carbon dioxide extraction methods (SC CO2). In addition, the different avocado oil had their characteristic compounds: the 2-acetylthiazole and ethyl propionate were the unique compounds in the avocado oil obtained by SC CO2. A rapid method for the determination of avocado oil obtained by different extraction methods based on HS-GC-IMS had been established, and the method was fast and simple and had a good application prospect in the prediction of avocado oil processing methods.

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