Rapid discrimination of Citrus reticulata ‘Chachi’ by headspace-gas chromatography-ion mobility spectrometry fingerprints combined with principal component analysis

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.

Section: Nts-workflowmentioning

confidence: 99%

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

Capitain

Weller

2021

“…Building on that, HS-GC-IMS is a technique that combines GC-IMS with headspace sampling [ 30 ] to quickly detect and analyze the VOCs in certain samples; the technique has a low detection limit but high selectivity [ 31 ]. HS-GC-IMS has been applied to analyze volatile compounds in grain [ 32 , 33 ], essential oil [ 31 ], Chinese medicine [ 34 ], wines [ 35 , 36 ], and tea [ 37 ].…”

Section: Introductionmentioning

confidence: 99%

Characteristic Volatile Fingerprints of Four Chrysanthemum Teas Determined by HS-GC-IMS

Wang

Yang

et al. 2021

Volatile composition is an important feature that determines flavor, which actively affects the overall evaluation of chrysanthemum tea. In this study, HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) was performed to characterize the volatile profiles of different chrysanthemum tea subtypes. Forty-seven volatiles of diverse chemical nature were identified and quantified. Partial least squares discriminant analysis (PLS-DA) revealed that four chrysanthemum teas were distinct from each other based on their volatile compounds. Furthermore, this work provides reference methods for detecting novel volatile organic compounds in chrysanthemum tea plants and products.

“…IMS can also be used in combination with chromatography. For instance, headspace-gas chromatography-ion mobility spectrometry was performed to effectively distinguish C. reticulata 'Chachi' [41]. Even though the pre-treatment was not required, it still took more time to separate analytes by GC and IMS, respectively.…”

Section: Introductionmentioning

confidence: 99%

Rapid Discrimination of Citrus reticulata ‘Chachi’ by Electrospray Ionization–Ion Mobility–High-Resolution Mass Spectrometry

Liu

Wang

et al. 2021

A common idea is that some dishonest businessmen often disguise Citrus reticulata Blanco varieties as Citrus reticulata ‘Chachi’, which places consumers at risk of economic losses. In this work, we combined high-resolution ion mobility (U-shaped mobility analyzer) with high-resolution mass spectrometry to rapidly distinguish Citrus reticulata ‘Chachi’ from other Citrus species. The samples were analyzed directly through simple extraction and the analytes were separated in one second. It only took about 1 min to perform a cycle of sample analysis and data acquisition. The results showed that polymethoxylated flavones and their isomers were separated easily by the ion mobility analyzer and preliminarily identified according to the accurate mass. Moreover, the collision cross-section values of all analytes, which could be used as auxiliary parameters to characterize and identify the compounds in the samples, were measured. Twenty-four samples were grouped as two clusters by multivariate analysis, which meant that Citrus reticulata ‘Chachi’ could be effectively differentiated. It was confirmed that the developed method had the potential to rapidly separate polymethoxylated flavones and distinguish between Citrus reticulata ‘Chachi’ and other Citrus reticulata Blanco varieties.