Chemical Derivatization-Based LC–MS for Metabolomics: Advantages and Challenges

Jiang, Ruiqi; Jiao, Yu; Xu, Fengguo

doi:10.4155/bio-2016-0192

Cited by 26 publications

(12 citation statements)

References 17 publications

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“…Metabolomics is an important branch of systematic biology, which has high resolution and extremely low detection limit. This approach can simultaneously detect integral components in TCM ( Jiang et al, 2016 ). However, due to the large number of chromatographic peaks and small sample size, it is not sufficient to perform most of the general pharmacological tests.…”

Section: Introductionmentioning

confidence: 99%

An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method

et al. 2021

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Background: Gardenia Fructus (GF), a traditional Chinese medicine of Gardenia Ellis in Rubiaceae family, has the potential to clear heat and purge fire and has been widely used to treat multiple infection-related diseases. However, the quality markers (Q-Markers) of GF have not been revealed comprehensively.Methods: In this experiment, the transgenic zebrafish lines, Tg (l-fabp:EGFP) and Tg (lyz:EGFP), were used to evaluate two main kinds of traditional efficacies of GF, hepatoprotective and anti-inflammatory effects. All the GF samples from different production areas were tested their anti-liver injury and anti-inflammantory activities. High-performance liquid chromatography-quadrupole time-of-flight mass spectrometry method (HPLC-Q-TOF/MS) was employed for herbal metabonomic analysis of GF samples. Gray correlation analysis (GCA) was utilized to screen out the components closely associated with the activities. Finally, the zebrafish model was applied to verify the bioactivity of the crucial components to determine the Q-Markers of GF.Results: The zebrafish models were established by inducing with hydrogen peroxide or copper sulfate and applied to quickly evaluate the hepatoprotective effect and inflammation of GF samples. 27 potentially active components for liver protection and 21 potentially active components with anti-inflammatory properties were identified by herbal metabolomic analysis based on HPLC-Q-TOF/MS. The GCA result showed that five of the 27 components were highly correlated with liver protection, 15 of the 21 components were highly correlated with anti-inflammatory activity. Among them, geniposide and crocin-1 were confirmed their bioactivities on zebrafish experiment to be responsible for the protective effects of GF against liver injury, and genipin-1-β-D-gentiobioside, quinic acid, gardenoside, d-glucuronic acid, l-malic acid, mannitol, rutin, and chlorogenic acid were confirmed to be responsible for the anti-inflammatory effects. Finally, according to the screening principles of Q-Markers, genipin-1-β-D-gentiobioside, geniposide, and gardenoside were preliminarily identified to be the Q-Markers of GF.Conclusion: This study established an effective research strategy of “Omics Discrimination-Grey Correlation-Biological Verification,” which enabled the rapid identification of key pharmacological components of GF. These markers have provided a scientific basis for constructing a modern quality evaluation system for GF.

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Section: Introductionmentioning

confidence: 99%

An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method

et al. 2021

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“…Based on this we can conclude that the low percentage of heavy isotope content, along with low chemical purity, could result in misinterpretation of the results and thus they should be carefully studied by the analyst. Eventually, it is noteworthy that ICD‐based metabolomics also suffer from some limitations such as false‐positive metabolites detection due to the reagent impurities and by‐products; in addition, there is no adaptation to the compounds having non‐reactive functional groups (Jiang, Jiao, & Xu, ; Matsuda, ; Scalbert et al, ). This could be overcome by using recent strategies such as universal metabolome standard (UMS) and simultaneous targeted and non‐targeted metabolomics that will be discussed in detail later (Peng, Chen, Chen, & Li, ; Takayama et al, ).…”

Section: Pros and Cons Of Isotope‐coded Derivatizationmentioning

confidence: 99%

“…Eventually, it is noteworthy that ICD-based metabolomics also suffer from some limitations such as false-positive metabolites detection F I G U R E 1 Representative scheme for the absolute and relative quantification approaches of isotopecoded derivatization (ICD) through differential labeling of the standard or the control sample for comparison with real samples. MS/MS, tandem mass spectrometry due to the reagent impurities and by-products; in addition, there is no adaptation to the compounds having non-reactive functional groups (Jiang, Jiao, & Xu, 2016;Matsuda, 2016;Scalbert et al, 2009). This could be overcome by using recent strategies such as universal metabolome standard (UMS) and simultaneous targeted and nontargeted metabolomics that will be discussed in detail later (Peng, Chen, Chen, & Li, 2014;Takayama et al, 2019).…”

Section: Pros and Cons Of Isotope-coded Derivatizationmentioning

confidence: 99%

Current trends in isotope‐coded derivatization liquid chromatographic‐mass spectrometric analyses with special emphasis on their biomedical application

El-Maghrabey

Kishikawa

Kuroda

2020

Biomedical Chromatography

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Currently, LC–MS has various applications in different areas such as metabolomics, pharmacokinetics, and pathological studies. Yet, matrix effects resulting from co‐existing constituents remain a major problem for LC–MS [or LC–tandem mass spectrometry (LC–MS/MS)]. Moreover, technical problems and instrumental drifts may lead to ion abundance variance. Thus, an internal standard (IS) is required to guarantee the accuracy and precision of the method. Because of their limited number, isotope‐coded derivatization (ICD) has been recently introduced to overcome this problem. For ICD, a stable heavy isotope‐coded moiety is used for labeling the standard or the control sample and the formed products can act as ISs. A light form of the reagent is used for labeling the sample. Then, both are mixed and analyzed by LC–MS(/MS). This strategy permits the identification of different unknown analytes including potential metabolites and disease biomarkers. All these attributes lead to persistent growth in the applications of ICD LC–MS(/MS) in various biomedical branches. In this article we review the ICD methods published in the last eight years for biomedical applications as well as briefly summarize other applications for environmental and food analyses as some of their used ICD reagents were further applied for analyzing biological specimens or have the potential for that.

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“…Derivatization reagents can be compounds already known and currently used in practice, or can be novel compounds, originally designed by certain strategies or according to a specific goal (Eggink et al, 2010; Fritzsche et al, 2018; Marquis, Louks, Bose, Wolfe, & Singh, 2017). In designing the new derivatization reagents some points of view are taken into consideration (Jiang, Jiao, & Xu, 2016): reactivity of the functional group, stability of the final derivatives, the number of artifacts and the chromatographic retention and detection behavior, but in some cases important molecular properties are also considered (acidity/basicity, solubility or polarity). Analytical performances (detection and quantitation limits), the field of application (Sun et al, 2018; Zhao, Zhu, & Liu, 2020) or the easiness to be synthetized (Tsukamoto, Santa, Saimaru, Imai, & Funatsu, 2005) are strong points of view in selecting the derivatization reagent.…”

Section: Selection Of the Derivatization Approachmentioning

confidence: 99%

Derivatization procedures and their analytical performances for HPLC determination in bioanalysis

David

Moldoveanu

Galaon

2020

Biomedical Chromatography

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Derivatization, or chemical structure modification, is often used in bioanalysis performed by liquid chromatography technique in order to enhance detectability or to improve the chromatographic performance for the target analytes. The derivatization process is discussed according to the analytical procedure used to achieve the reaction between the reagent and the target compounds (containing hydroxyl, thiol, amino, carbonyl and carboxyl as the main functional groups involved in derivatization). Important procedures for derivatization used in bioanalysis are in situ or based on extraction processes (liquid-liquid, solid-phase and related techniques) applied to the biomatrix. In the review, chiral, isotope-labeling, hydrophobicity-tailored and post-column derivatizations are also included, based on representative publications in the literature during the last two decades. Examples of derivatization reagents and brief reaction conditions are included, together with some bioanalytical applications and performances (chromatographic conditions, detection limit, stability and sample biomatrix).

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Chemical Derivatization-Based LC–MS for Metabolomics: Advantages and Challenges

Cited by 26 publications

References 17 publications

An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method

An Integrated Strategy for Rapid Discovery and Identification of Quality Markers in Gardenia Fructus Using an Omics Discrimination-Grey Correlation-Biological Verification Method

Current trends in isotope‐coded derivatization liquid chromatographic‐mass spectrometric analyses with special emphasis on their biomedical application

Derivatization procedures and their analytical performances for HPLC determination in bioanalysis

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