4.7 Article

GC-MS-based untargeted metabolomics reveals the key volatile organic compounds for discriminating grades of Yichang big-leaf green tea

Journal

LWT-FOOD SCIENCE AND TECHNOLOGY
Volume 171, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.lwt.2022.114148

Keywords

Headspace gas chromatography coupled to; mass spectrometry; Volatile organic compounds; Multivariate statistical analysis; Chinese green tea; Untargeted metabolomics

Funding

  1. National Natural Science Foundation of China
  2. [32272409]
  3. [32001790]
  4. [31701693]

Ask authors/readers for more resources

This study used HS-GC-MS combined with multivariate statistical analysis to identify volatile markers from different grades of Yichang big-leaf green tea. A total of 94 volatile organic compounds were detected and categorized. The results showed significant differences in VOCs among different grades of YBGT and demonstrated the potential of HS-GC-MS combined with chemometric analysis as a reliable strategy for grading Chinese green teas.
In this work, headspace gas chromatography coupled to mass spectrometry (HS-GC-MS) combined with multivariate statistical analysis was applied to reveal volatile markers from different grades of Yichang big-leaf green tea (YBGT). A total of 94 volatile organic compounds (VOCs) were detected and identified, which can be categorized as alkanes, terpene, aromatics, ketone, ester, alcohol, heterocyclic compounds, aldehyde, olefin, acid, amine, and nitrogen compounds. The differences between low-grade and high-grade YBGT were demonstrated by principal component analysis (PCA) and hierarchical cluster analysis (HCA). Based on orthogonal partial least squares discriminant analysis (OPLS-DA), 19 VOCs were screened as markers for the discrimination of first-grade and second-grade YBGT, and 25 VOCs were screened as markers to distinguish first-grade from third-grade YBGT. Among them, 16 VOCs are common, which can be used as characteristic markers to distinguish low-grade from high-grade YBGT. Overall, our findings indicated that there are significant differences in VOCs among different grades of YBGT, and HS-GC-MS in combination with chemometric multivariate statistical analysis can be extended as a reliable strategy for discriminating grades of other Chinese green teas.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

Article Biochemistry & Molecular Biology

Simultaneous co-immobilization of three enzymes onto a modified glassy carbon electrode to fabricate a high-performance amperometric biosensor for determination of total cholesterol

Khodabakhsh Rashidi, Majid Mahmoudi, Ghobad Mohammadi, Mohammad Mandi Zangeneh, Shahla Korani, Hector C. Goicoechea, Hui-Wen Gu, Ali R. Jalalvand

INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES (2018)

Article Chemistry, Analytical

An interesting strategy devoted to fabrication of a novel and high-performance amperometric sodium dithionite sensor

Ali R. Jalalvand, Hector C. Goicoechea, Hui-Wen Gu

MICROCHEMICAL JOURNAL (2019)

Article Chemistry, Analytical

Angle Distribution of Loading Subspace (ADLS) for estimating chemical rank in multivariate analysis: Applications in spectroscopy and chromatography

Ya-Juan Liu, Geert Postma, Hai-Long Wu, Hui-Wen Gu, Chao Kang, Jeroen Jansen, Ludovic Duponchel

TALANTA (2019)

Article Food Science & Technology

Developing an Excitation-Emission Matrix Fluorescence Spectroscopy Method Coupled with Multi-way Classification Algorithms for the Identification of the Adulteration of Shanxi Aged Vinegars

Tian-Qin Peng, Xiao-Li Yin, Weiqing Sun, Baomiao Ding, Li-An Ma, Hui-Wen Gu

FOOD ANALYTICAL METHODS (2019)

Article Chemistry, Analytical

Prediction of chemical oxygen demand (COD) with total organic carbon (TOC) to eliminate the interferences of high concentration of chloride ion in oilfield wastewaters

Huai-Yuan Long, Hui-Wen Gu, Ali R. Jalalvand, Shan-Hui Zhang, Yang Liu, Wu Chen

Summary: This study proposed a method for predicting COD in high-chloride wastewater using total organic carbon (TOC) by comparing their relationship in simulated and actual oilfield wastewaters. The results showed significant linear correlations between COD and TOC in actual oilfield wastewaters, with high correlation coefficients obtained. The established conversion models successfully predicted COD values in mixed oilfield wastewaters from different stations.

INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY (2021)

Article Spectroscopy

Impact of diverse background interferences on the alternating trilinear decomposition modeling of excitation-emission matrix fluorescence data acquired from different sample sources

Hui-Wen Gu, Xiao-Li Yin, Xiang-Chun Zhou, Ying Chen, Xian-Zhu Meng, Tian-Qin Peng

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2020)

Article Chemistry, Analytical

A simple electrochemical method for Cd(II) determination in real samples based on carbon nanotubes and metal-organic frameworks

Ling Yu, Jing-Wei Wan, Xian-Zhu Meng, Hui-Wen Gu, Ying Chen, Hong-Chao Yi

Summary: The establishment of a simple and effective method for determination of heavy metal ions is of great significance. In this study, a nanocomposite of carbon nanotubes and metal-organic frameworks was synthesized and used for constructing an electrochemical sensor for the detection of Cd(2+). The sensor showed satisfactory analytical performance with a wide linear detection range, good selectivity, and achieved successful detection of Cd(2+) in real samples.

INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY (2022)

Article Food Science & Technology

Development of an HPLC-DAD Method Combined with Chemometrics for Differentiating Geographical Origins of Chinese Red Wines on the Basis of Phenolic Compounds

Qiao Wu, Hui-Wen Gu, Xiao-Li Yin, Hui-Hui Zhou, Hai-Yan Chang, Jie Shi, Ying Chen, Xiu-Fang Yan, Zhi Liu

Summary: This study successfully differentiated Chinese red wines from different geographical origins using the HPLC-DAD method combined with chemometrics. The MCR-ALS extracted pure chromatographic and spectral profiles, allowing for quantification of phenolic compounds in the presence of overlapping peaks. Unsupervised PCA and HCA, as well as supervised OPLS-DA methods, were used to analyze the data and predict the geographical origins of the red wines.

FOOD ANALYTICAL METHODS (2021)

Article Thermodynamics

Construction and performance evaluation of a CSC-1 type horizontal rotating micro-bomb combustion-solution isoperibol multifunctional calorimeter

Xu Li, Qiang-Guo Li, Chuan -Hua Li, Ling-Fei Duan, Jian-Hong Jiang, Fan -Hua Zeng, Xia Li, Hui-Wen Gu

Summary: A new type of horizontal rotating micro-bomb combustion-solution isoperibol multifunctional calorimeter was constructed in this study, which differs from existing calorimeters in three main ways. The developed calorimeter was calibrated and tested with various substances to demonstrate the reliability and feasibility of its combustion and solution calorimetric systems.

JOURNAL OF CHEMICAL THERMODYNAMICS (2021)

Article Chemistry, Applied

Untargeted metabolomic analysis of Chinese red wines for geographical origin traceability by UPLC-QTOF-MS coupled with chemometrics

Yuan Pan, Hui-Wen Gu, Yi Lv, Xiao-Li Yin, Ying Chen, Wanjun Long, Haiyan Fu, Yuanbin She

Summary: This study established an UPLC-QTOF-MS-based untargeted metabolomic approach to discriminate the geographical origins of Chinese red wines. Significant differences were observed between wine samples from different regions in China. The identified markers successfully discriminated external validation wine samples with a recognition rate of up to 96.7%.

FOOD CHEMISTRY (2022)

Article Food Science & Technology

UHPLC-QTOF-MS-based untargeted metabolomics and mineral element analysis insight into the geographical differences of Chrysanthemum morifolium Ramat cv. Hangbaiju from different origins

Wanjun Long, Xiuyun Bai, Siyu Wang, Hengye Chen, Xiao-Li Yin, Hui-Wen Gu, Jian Yang, Haiyan Fu

Summary: In this study, an untargeted metabolomic strategy based on UHPLC-QTOF-MS was established to discover the differential metabolites in Chrysanthemum morifolium Ramat cv. Hangbaiju samples from four different origins and explore the possible relationship with mineral elements in planting soils by chemometric analysis. The results indicated that the contents of differential metabolites in Hangbaiju samples seemed to be affected by soil mineral elements and therefore resulted in the geographical differences.

FOOD RESEARCH INTERNATIONAL (2023)

Article Chemistry, Applied

UHPLC-QTOF-MS-based untargeted metabolomics revealing the differential chemical constituents and its application on the geographical origins traceability of lily bulbs

Wanjun Long, Siyu Wang, Chengying Hai, Hengye Chen, Hui-Wen Gu, Xiao-Li Yin, Jian Yang, Haiyan Fu

Summary: In this study, an untargeted metabolomic method based on UHPLC-QTOF-MS was used to reveal the differential chemical constituents of lily bulbs and predict their geographical origins. A total of 15 differential compounds were identified using the AntDAS software. Principal component analysis and hierarchical cluster analysis showed clear differentiation among samples from different origins. Furthermore, key characteristic markers were discovered using partial least squares-discriminant analysis and orthogonal partial least squares-discriminant analysis. The proposed strategy successfully discriminated external validation lily bulb samples with a recognition rate of 100%.

JOURNAL OF FOOD COMPOSITION AND ANALYSIS (2023)

Review Chemistry, Analytical

A Comprehensive Review on the Excitation-Emission Matrix Fluorescence Spectroscopic Characterization of Petroleum-Containing Substances: Principles, Methods, and Applications

Tao Geng, Yan Wang, Xiao-Li Yin, Wu Chen, Hui-Wen Gu

Summary: Petroleum-containing substance (PCS) is a general term for petroleum and its derivatives. Fluorescence spectroscopy, especially excitation-emission matrix fluorescence (EEMF) spectroscopy, is a powerful tool for characterizing PCSs due to its sensitivity, selectivity, simplicity, and efficiency. This paper reviews the principles and measurements of EEMF, introduces information mining methods, and discusses recent advances and limitations in applying EEMF to characterize PCSs. The need to build a comprehensive EEMF fingerprint library and explore high-dimensional chemometrics and deep learning for more complex systems is proposed.

CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY (2023)

Article Chemistry, Multidisciplinary

Target-switched artificial biochemical circuit for a versatile and sensitive colorimetric detection platform

Xianzhu Meng, Huiwen Gu, Xiaoli Yin, Hongchao Yi, Ying Chen

Summary: The presence of the target triggers the structural switch of a metastable hairpin template probe (MH), leading to the production of numerous DNAzyme replicates in a self-primed artificial biochemical circuit. This results in substantial signal amplification for highly sensitive colorimetric determination of nucleic acids.

CHEMICAL COMMUNICATIONS (2023)

No Data Available