View in EDS

Structural verification of phenolic compounds in the aqueous extract of Chrysanthemum morifolium using LC-DAD-SPE-NMR method.

Saved in:
Bibliographic Details
Title: Structural verification of phenolic compounds in the aqueous extract of Chrysanthemum morifolium using LC-DAD-SPE-NMR method.
Authors: Liu H; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Xin M; Hubei Province Key Laboratory of Biotechnology of Chinese Traditional Medicine, College of Health Science and Engineering, Hubei University, Wuhan 430062, China., Liu H; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Luo L; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China., Chen L; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China. Electronic address: chenlei@apm.ac.cn., Sun L; Hubei Province Key Laboratory of Biotechnology of Chinese Traditional Medicine, College of Health Science and Engineering, Hubei University, Wuhan 430062, China. Electronic address: lijuansun1212@163.com., Zhang X; State Key Laboratory of Magnetic Resonance Spectroscopy and Imaging, National Center for Magnetic Resonance in Wuhan, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences, Wuhan 430071, China.
Source: Food chemistry [Food Chem] 2025 Dec 25; Vol. 496 (Pt 2), pp. 146722. Date of Electronic Publication: 2025 Oct 12.
Publication Type: Journal Article; Evaluation Study
Language: English
Journal Info: Publisher: Elsevier Applied Science Publishers Country of Publication: England NLM ID: 7702639 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-7072 (Electronic) Linking ISSN: 03088146 NLM ISO Abbreviation: Food Chem Subsets: MEDLINE
Imprint Name(s): Publication: Barking : Elsevier Applied Science Publishers
Original Publication: Barking, Eng., Applied Science Publishers.
MeSH Terms: Chrysanthemum*/chemistry , Phenols*/chemistry , Phenols*/isolation & purification , Plant Extracts*/chemistry , Plant Extracts*/isolation & purification , Solid Phase Extraction*/methods, Magnetic Resonance Spectroscopy/methods ; Molecular Structure ; Chromatography, High Pressure Liquid/methods ; Flavonoids/chemistry ; Flavonoids/isolation & purification
Abstract: Competing Interests: Declaration of competing interest The authors declare that they do not have any known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
This study demonstrated the capability of LC-DAD-SPE-NMR technique for verifying structures tentatively identified by LC-ESI-MS. Previous LC-ESI-MS analyses had characterized the major phenolic compounds in Chrysanthemum morifolium, yet the lack of complementary analytical tools left these assignments unconfirmed. Herein, the main compounds of this plant were unequivocally verified using LC-DAD-SPE-NMR, leading to the unambiguous identification of 19 compounds based on their NMR spectra. Among these, the structure of 4 flavonoid glycosides were corrected, and two novel compounds were reported for the first time. Structurally, caffeoylquinic acids were confirmed using 1 H NMR only, while aglycone and glycosidic bond in flavonoid glycosides were verified by 1 H NMR and 1 H 1 H NOESY spectra. This work underscores the inherent limits of MS for structural elucidation and highlights the powerful structural elucidation and verification capability of LC-DAD-SPE-NMR for phenolic compounds. Furthermore, it establishes a robust analytical strategy for the structural verification of complex phytochemical mixtures.
(Copyright © 2025 Elsevier Ltd. All rights reserved.)
Contributed Indexing: Keywords: Caffeoylquinic acids; Chrysanthemum morifolium; Flavonoid glycosides; Glycosidic bond; LC-DAD-SPE-NMR; NOE correlation; Structural verification
Substance Nomenclature: 0 (Phenols)
0 (Plant Extracts)
0 (Flavonoids)
Entry Date(s): Date Created: 20251019 Date Completed: 20251125 Latest Revision: 20251203
Update Code: 20251203
DOI: 10.1016/j.foodchem.2025.146722
PMID: 41110407
Database: MEDLINE
Description
Abstract:Competing Interests: Declaration of competing interest The authors declare that they do not have any known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.<br />This study demonstrated the capability of LC-DAD-SPE-NMR technique for verifying structures tentatively identified by LC-ESI-MS. Previous LC-ESI-MS analyses had characterized the major phenolic compounds in Chrysanthemum morifolium, yet the lack of complementary analytical tools left these assignments unconfirmed. Herein, the main compounds of this plant were unequivocally verified using LC-DAD-SPE-NMR, leading to the unambiguous identification of 19 compounds based on their NMR spectra. Among these, the structure of 4 flavonoid glycosides were corrected, and two novel compounds were reported for the first time. Structurally, caffeoylquinic acids were confirmed using <sup>1</sup> H NMR only, while aglycone and glycosidic bond in flavonoid glycosides were verified by <sup>1</sup> H NMR and <sup>1</sup> H <sup>1</sup> H NOESY spectra. This work underscores the inherent limits of MS for structural elucidation and highlights the powerful structural elucidation and verification capability of LC-DAD-SPE-NMR for phenolic compounds. Furthermore, it establishes a robust analytical strategy for the structural verification of complex phytochemical mixtures.<br /> (Copyright © 2025 Elsevier Ltd. All rights reserved.)
ISSN:1873-7072
DOI:10.1016/j.foodchem.2025.146722