A systematic strategy for rapid identification of chlorogenic acids derivatives in Duhaldea nervosa using UHPLC-Q-Exactive Orbitrap mass spectrometry

Cai, Wei; Li, Kailin; Xiong, Pei; Gong, Kaiyan; Zhu, Lian; Yang, Jianbo; Wu, Weihua

doi:10.1016/j.arabjc.2020.01.007

Cited by 30 publications

(36 citation statements)

References 22 publications

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“…Peaks 15 and 24 showed the same pseudo-molecular ion [M-H] À at m/z 353.08936 (4.40 ppm, C 16 H 17 O 9 ), and 515.11938 (À0.23 ppm, C 25 H 23 O 12 ), respectively as peaks 2, 9, 12, and 21, 22, 28. By comparing the fragment ion at m/z 191.0547 and the retention time as reported in another study (Liu et al 2018;Cai et al 2020), peaks 15 and 24 were preliminarily inferred as Cis-5-CQA and 1,5-DiCQA, respectively.…”

Section: Analytical Strategymentioning

confidence: 80%

“… 2018 ; Cai et al. 2020 ), peaks 15 and 24 were preliminarily inferred as Cis-5-CQA and 1,5-DiCQA, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…Isochlorogenic acid A (3,5-DiCQA) is a major component of Duhaldea nervosa (Wallich ex Candolle) A. Anderberg (Asteraceae) (Guan et al 2017;Liu et al 2018;Cai et al 2020), which has served as a folk medicine in dispelling wind-chill, alleviating pain, promoting good circulation of the meridian, being collateral for anti-inflammatory, accelerating the union of fractures and treating a variety of conditions and diseases including fracture and rheumatoid arthritis (RA) (Xiao 1997(Xiao , 2004Long 2004). Previous studies have shown that 3,5-DiCQA has a wide range of physiological activities, such as cardiovascular protection, antioxidant, anti-inflammatory, and osteoblast proliferation, which might have a therapeutic effect in the treatment of fractures and RA (Naveed et al 2018;Wang and Xiao 2019).…”

Section: Introductionmentioning

confidence: 99%

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Identification of the metabolites of isochlorogenic acid A in rats by UHPLC-Q-Exactive Orbitrap MS

Gong

Yang

et al. 2020

Pharmaceutical Biology

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Content: Isochlorogenic acid A, one of the main components of Duhaldea nervosa (Wallich ex Candolle) A. Anderberg (Asteraceae), is a folk medicine used to treat a variety of diseases including fracture and rheumatoid arthritis. Despite its widespread use, the metabolism of isochlorogenic acid A in vivo has not been fully studied. Objective: An analytical strategy based on UHPLC-Q-Exactive Orbitrap MS is proposed for the detection and identification of the metabolites of isochlorogenic acid A in rats. Materials and methods: Six male Sprague-Dawley rats (180 ± 20 g) were randomly divided into two groups. Then, blood and tissue samples were obtained after oral administration of isochlorogenic acid A (200 mg/kg). All the samples were pre-treated by the Solid Phase Extraction (SPE) method. Next, the samples were analysed by UHPLC-Q-Exactive Orbitrap MS. Finally, the metabolites were identified based on the metabolomic workflow template. Results: A total of 33 metabolites were identified in rat plasma, with 30 of them being reported for the first time. The distribution of all metabolites in tissues was first investigated, three of them were widely distributed in liver, lungs, and kidneys. The corresponding reactions including methylation, hydrolysis, sulphate conjugation, glucuronide conjugation, as well as their composite reactions, are reported in this study. Discussion and conclusions: This method has wide-scale application prospects in the identification of metabolites. Considering that limited research has been conducted in this area, this study proposes metabolic pathways to further understand mechanisms of isochlorogenic acid A and the forms that are truly effective in vivo.

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Section: Analytical Strategymentioning

confidence: 80%

“… 2018 ; Cai et al. 2020 ), peaks 15 and 24 were preliminarily inferred as Cis-5-CQA and 1,5-DiCQA, respectively.…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Identification of the metabolites of isochlorogenic acid A in rats by UHPLC-Q-Exactive Orbitrap MS

Gong

Yang

et al. 2020

Pharmaceutical Biology

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“…All high-resolution MS data were acquired and processed using the Xcalibur version (2.0 software, Thermo Fisher Scientific, San Jose, CA, USA). The compounds were detected by the Compound Discover version 3 using the metabolism workflow templates by the expected compounds predicted method [ 18 ]. The detailed parameters of the workflow template were set as follows: the minimum peak intensity was set as 10000; the maximum element counts were C30 H60 O20; the mass tolerance of MS and MS 2 was within 5 and 10 ppm, respectively; baicalein and phloretin were set as the carbon skeleton; reduction, oxidation was set as Phase I transformation; glucoside conjugation, glucuronide conjugation, pentoside conjugation, methylation was set as Phase II transformation.…”

Section: Methodsmentioning

confidence: 99%

Rapid Identification and Systematic Mechanism of Flavonoids from Potentilla freyniana Bornm. Based on UHPLC-Q-Exactive Orbitrap Mass Spectrometry and Network Pharmacology

Cai

Qin

et al. 2021

International Journal of Analytical Chemistry

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Potentilla freyniana Bornm. (P. freyniana), belonging to the family Rosaceae, has been used as a folk medicine in China. However, as we know, the constituents and the systematic elucidation of the mechanism were not fully investigated. Therefore, it is necessary to develop a rapid method using LC-MS and network pharmacology for the detection and identification of constituents and the systematic mechanism of P. freyniana. Firstly, the flavonoids were detected and identified based on ultra-high-performance liquid chromatography coupled with Quadrupole-Exactive Focus Orbitrap MS (UHPLC-Q-Exactive Orbitrap MS). After that, the potential targets of those constituents were obtained by database mining. Then, the core targets were predicted by protein-protein interaction network and network analysis. Finally, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were carried out via DAVID. This finding revealed that P. freyniana possessed 43 flavonoids (40 of them were first reported) with 23 core target genes, which are associated with PI3K-Akt, MAPK, TNF signaling pathway, and pathway in cancer. This study demonstrated the multicompound, multitarget, and multimechanism of P. freyniana, which are very beneficial to develop the further study and utilization of this plant including the material basis and quality control research.

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“…us, the metabolites were not completely investigated due to the limitations of the analytical method. In recent years, parallel reaction monitoring (PRM) scanning mode has been developed for achieving the designed ion's MS 2 data [18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Identification of Metabolites of Aurantio-Obtusin in Rats Using Ultra-High-Performance Liquid Chromatography-Q-Exactive Orbitrap Mass Spectrometry with Parallel Reaction Monitoring

Qin

et al. 2021

Journal of Analytical Methods in Chemistry

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Aurantio-obtusin (AO) is a major anthraquinone compound isolated from Cassiae Semen or Duhaldea nervosa, which possesses diverse pharmacological effects. Previous studies have shown that it has a good effect on lowering blood lipids and treating various diseases. A few studies have also reported about its metabolites. A rapid and reliable method using ultra-high-performance liquid chromatography-Q-Exactive Orbitrap mass spectrometry and multiple data-processing technologies was established to investigate the metabolites of AO in the plasma and various tissues of rats, including the heart, liver, spleen, lung, kidneys, and brain. Finally, a total of 36 metabolites were identified in the plasma of rats, which could be very beneficial for understanding the effective form of AO metabolites leading to new drug discovery. The result demonstrated that this strategy, especially parallel reaction monitoring, has shown a wide range of applications in the identification of metabolites.

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A systematic strategy for rapid identification of chlorogenic acids derivatives in Duhaldea nervosa using UHPLC-Q-Exactive Orbitrap mass spectrometry

Cited by 30 publications

References 22 publications

Identification of the metabolites of isochlorogenic acid A in rats by UHPLC-Q-Exactive Orbitrap MS

Identification of the metabolites of isochlorogenic acid A in rats by UHPLC-Q-Exactive Orbitrap MS

Rapid Identification and Systematic Mechanism of Flavonoids from Potentilla freyniana Bornm. Based on UHPLC-Q-Exactive Orbitrap Mass Spectrometry and Network Pharmacology

Identification of Metabolites of Aurantio-Obtusin in Rats Using Ultra-High-Performance Liquid Chromatography-Q-Exactive Orbitrap Mass Spectrometry with Parallel Reaction Monitoring

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