A Metabolomic Strategy Based on Integrating Headspace Gas Chromatography-mass Spectrometry and Liquid Chromatography-mass Spectrometry to Differentiate the Five Cultivars of Flower

Overview

Journal RSC Adv

Publisher Royal Society of Chemistry

Specialty Chemistry

Date 2022 May 11

PMID 35541849

Authors

Lin-Ning Zhang

Long Wang

Zi-Qi Shi

Ping Li

Hui-Jun Li

Affiliations

Soon will be listed here.

Abstract

The extreme complexity of the chemical composition of plant extracts requires an unbiased and comprehensive detection methodology to improve the potential of metabolomic study. The present work, taking five closely related cultivars of flowers as a typical case, attempts to develop a metabolomic strategy to find more markers of metabolites for precise differentiation based on headspace gas chromatography-mass spectrometry (HSGC-MS) and ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-QTOF/MS). In detail, 53 batches of flower samples were collected and analyzed. The fusion of datasets from HSGC-MS and UHPLC-QTOF/MS was done in two different ways. After comparison, the fusion of the total peak area normalized metabolomic data was performed for multivariate statistical analysis. A total of 21 marker compounds (including 14 volatile and 7 nonvolatile metabolites) were identified, and a heatmap was employed for clarifying the distribution of the identified metabolites among the five cultivars. The results indicated that the integrated platform benefited the metabolomic study of medicinal and edible herbs by providing complementary information through fully monitoring functional constituents.

Citing Articles

Application of Data Fusion in Traditional Chinese Medicine: A Review.

Huang R, Ma S, Dai S, Zheng J Sensors (Basel). 2024; 24(1).

PMID: 38202967 PMC: 10781265. DOI: 10.3390/s24010106.

Comprehensive metabolomic variations of hawthorn before and after insect infestation based on the combination analysis of H NMR and UPLC-MS.

Cheng Y, Liu Z, Xu B, Song P, Chao Z Curr Res Food Sci. 2023; 7:100616.

PMID: 37881336 PMC: 10594559. DOI: 10.1016/j.crfs.2023.100616.

A holistic comparison of flavor signature and chemical profile in different harvesting periods of based on metabolomics combined with bioinformatics and molecular docking strategy.

Yang M, Tian X, Zhang M, Wei J, Niu Y, Hou J RSC Adv. 2022; 12(54):34971-34989.

PMID: 36540235 PMC: 9728093. DOI: 10.1039/d2ra05698d.

Non-targeted metabolite profiling and specific targeted discrimination strategy for quality evaluation of Cortex Phellodendri from different varieties.

Zhu G, Feng F RSC Adv. 2022; 8(39):22086-22094.

PMID: 35541721 PMC: 9081087. DOI: 10.1039/c8ra03369b.

Phytochemistry by design: a case study of the chemical composition of optimized extracts focused on untargeted metabolomics analysis.

Antonio A, Aguiar A, Cardoso Dos Santos G, Pereira H, Veiga-Junior V, Wiedemann L RSC Adv. 2022; 10(6):3459-3471.

PMID: 35497754 PMC: 9048970. DOI: 10.1039/c9ra10436d.

References

Chen Y, Lin C, Cheng S, Chang S . Rapid discrimination and feature extraction of three Chamaecyparis species by static-HS/GC-MS. J Agric Food Chem. 2015; 63(3):810-20. DOI: 10.1021/jf505587w. View

Smilde A, van der Werf M, Bijlsma S, van der Werff-van der Vat B, Jellema R . Fusion of mass spectrometry-based metabolomics data. Anal Chem. 2005; 77(20):6729-36. DOI: 10.1021/ac051080y. View

Han Y, Zhou M, Wang L, Ying X, Peng J, Jiang M . Comparative evaluation of different cultivars of Flos Chrysanthemi by an anti-inflammatory-based NF-κB reporter gene assay coupled to UPLC-Q/TOF MS with PCA and ANN. J Ethnopharmacol. 2015; 174:387-95. DOI: 10.1016/j.jep.2015.08.044. View

Lee D, Yoon M, Kang Y, Yu J, Park J, Lee J . Comparison of primary and secondary metabolites for suitability to discriminate the origins of Schisandra chinensis by GC/MS and LC/MS. Food Chem. 2013; 141(4):3931-7. DOI: 10.1016/j.foodchem.2013.06.064. View

Wang L, Liu L, Wang J, Shi Z, Chang W, Chen M . A strategy to identify and quantify closely related adulterant herbal materials by mass spectrometry-based partial least squares regression. Anal Chim Acta. 2017; 977:28-35. DOI: 10.1016/j.aca.2017.04.023. View

Clifford M, Johnston K, Knight S, Kuhnert N . Hierarchical scheme for LC-MSn identification of chlorogenic acids. J Agric Food Chem. 2003; 51(10):2900-11. DOI: 10.1021/jf026187q. View

Niu Y, Yin L, Luo S, Dong J, Wang H, Hashi Y . Identification of the anti-oxidants in Flos Chrysanthemi by HPLC-DAD-ESI/MS(n) and HPLC coupled with a post-column derivatisation system. Phytochem Anal. 2012; 24(1):59-68. DOI: 10.1002/pca.2381. View

de Vos R, Moco S, Lommen A, Keurentjes J, Bino R, Hall R . Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry. Nat Protoc. 2007; 2(4):778-91. DOI: 10.1038/nprot.2007.95. View

Flamini G, Cioni P, Morelli I . Differences in the fragrances of pollen, leaves, and floral parts of garland (Chrysanthemum coronarium) and composition of the essential oils from flowerheads and leaves. J Agric Food Chem. 2003; 51(8):2267-71. DOI: 10.1021/jf021050l. View

10.

Moco S, Bino R, Vorst O, Verhoeven H, de Groot J, van Beek T . A liquid chromatography-mass spectrometry-based metabolome database for tomato. Plant Physiol. 2006; 141(4):1205-18. PMC: 1533921. DOI: 10.1104/pp.106.078428. View

11.

Gowda G, Raftery D . Can NMR solve some significant challenges in metabolomics?. J Magn Reson. 2015; 260:144-60. PMC: 4646661. DOI: 10.1016/j.jmr.2015.07.014. View

12.

Xie Y, Qu J, Wang Q, Wang Y, Yoshikawa M, Yuan D . Comparative evaluation of cultivars of Chrysanthemum morifolium flowers by HPLC-DAD-ESI/MS analysis and antiallergic assay. J Agric Food Chem. 2012; 60(51):12574-83. DOI: 10.1021/jf304080v. View

13.

Guo L, Li R, Liu K, Yang J, Li H, Li S . Structural characterization and discrimination of Chinese medicinal materials with multiple botanical origins based on metabolite profiling and chemometrics analysis: Clematidis Radix et Rhizoma as a case study. J Chromatogr A. 2015; 1425:129-40. DOI: 10.1016/j.chroma.2015.11.013. View

14.

Clifford M, Knight S, Kuhnert N . Discriminating between the six isomers of dicaffeoylquinic acid by LC-MS(n). J Agric Food Chem. 2005; 53(10):3821-32. DOI: 10.1021/jf050046h. View

15.

Chen L, Kotani A, Kusu F, Wang Z, Zhu J, Hakamata H . Quantitative comparison of caffeoylquinic acids and flavonoids in Chrysanthemum morifolium flowers and their sulfur-fumigated products by three-channel liquid chromatography with electrochemical detection. Chem Pharm Bull (Tokyo). 2015; 63(1):25-32. DOI: 10.1248/cpb.c14-00515. View

16.

Ma X, Mao W, Zhou P, Li P, Li H . Distinguishing Foeniculum vulgare fruit from two adulterants by combination of microscopy and GC-MS analysis. Microsc Res Tech. 2015; 78(7):633-41. DOI: 10.1002/jemt.22523. View

17.

Sun H, Zhang T, Fan Q, Qi X, Zhang F, Fang W . Identification of floral scent in chrysanthemum cultivars and wild relatives by gas chromatography-mass spectrometry. Molecules. 2015; 20(4):5346-59. PMC: 6272594. DOI: 10.3390/molecules20045346. View

18.

Liu L, Guo Q, Xu W . [Comparative study on botanical morphologic character of different cultivated types medicinal Chrysanthemum morifolium]. Zhongguo Zhong Yao Za Zhi. 2009; 33(24):2891-5. View

19.

Duan L, Chen T, Li M, Chen M, Zhou Y, Cui G . Use of the metabolomics approach to characterize Chinese medicinal material Huangqi. Mol Plant. 2011; 5(2):376-86. DOI: 10.1093/mp/ssr093. View

20.

He Z, Xu Y, Wang L, Peng Y, Luo M, Cheng H . Wide-scope screening and quantification of 50 pesticides in wine by liquid chromatography/quadrupole time-of-flight mass spectrometry combined with liquid chromatography/quadrupole linear ion trap mass spectrometry. Food Chem. 2015; 196:1248-55. DOI: 10.1016/j.foodchem.2015.10.042. View