Investigation on the stability in plant metabolomics with a special focus on freeze-thaw cycles: LC–MS and NMR analysis to Cassiae Semen (Cassia obtusifolia L.) seeds as a case study

Shi, Biru; Ding, Hui; Wang, Liming; Wang, Chenxi; Tian, Xiaoxuan; Fu, Zhifei; Zhang, Lihua; Han, Lifeng

doi:10.1016/j.jpba.2021.114243

Cited by 10 publications

(22 citation statements)

References 33 publications

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“…Today, with the increasing availability of GC/LC-MS, a combination of GC/LC-MS and NMR may provide extensive coverage of metabolites in plants [59]. A recent study of Cassiae semen seeds utilized both LC-MS and NMR, and identified 231 metabolites using LC-MS and 41 using NMR [60]. Please note that front-end GC or LC separation is not always necessary.…”

Section: Metabolomics Technologies and Advancementsmentioning

confidence: 99%

Advances in Plant Metabolomics and Its Applications in Stress and Single-Cell Biology

Katam

Lin

Grant

et al. 2022

IJMS

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In the past two decades, the post-genomic era envisaged high-throughput technologies, resulting in more species with available genome sequences. In-depth multi-omics approaches have evolved to integrate cellular processes at various levels into a systems biology knowledge base. Metabolomics plays a crucial role in molecular networking to bridge the gaps between genotypes and phenotypes. However, the greater complexity of metabolites with diverse chemical and physical properties has limited the advances in plant metabolomics. For several years, applications of liquid/gas chromatography (LC/GC)-mass spectrometry (MS) and nuclear magnetic resonance (NMR) have been constantly developed. Recently, ion mobility spectrometry (IMS)-MS has shown utility in resolving isomeric and isobaric metabolites. Both MS and NMR combined metabolomics significantly increased the identification and quantification of metabolites in an untargeted and targeted manner. Thus, hyphenated metabolomics tools will narrow the gap between the number of metabolite features and the identified metabolites. Metabolites change in response to environmental conditions, including biotic and abiotic stress factors. The spatial distribution of metabolites across different organs, tissues, cells and cellular compartments is a trending research area in metabolomics. Herein, we review recent technological advancements in metabolomics and their applications in understanding plant stress biology and different levels of spatial organization. In addition, we discuss the opportunities and challenges in multiple stress interactions, multi-omics, and single-cell metabolomics.

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Section: Metabolomics Technologies and Advancementsmentioning

confidence: 99%

Advances in Plant Metabolomics and Its Applications in Stress and Single-Cell Biology

Katam

Lin

Grant

et al. 2022

IJMS

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“…PCA and OPLS-DA are two commonly used chemometric methods for analysing, classifying and reducing the dimensionality of numerical datasets, which have been widely applied to compare and discriminate the chemical compositions of herbal medicines. 26,27 In the present study, PCA and OPLS-DA were further carried out to provide more information about the chemical difference and find potential chemical markers between BZ and HBZ samples. In PCA, the contents of nine coumarins were set as variables, and different batches of samples were set as observations.…”

Section: Comparison and Quality Evaluation Of Bz And Hbz Samples Base...mentioning

confidence: 99%

Chemical comparison and discrimination of two plant sources of Angelicae dahuricae Radix, Angelica dahurica and Angelica dahurica var. formosana, by HPLC‐Q/TOF‐MS and quantitative analysis of multiple components by a single marker

Shi

Chang

Xie

et al. 2022

Phytochemical Analysis

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Introduction Angelica dahurica(BZ) and Angelica dahurica var. formosana(HBZ) are two plant sources of Angelicae dahuricae Radix. Although BZ and HBZ are commonly used herbal medicines with great medicinal and dietary values, study on their phytochemicals and bioactive compositions is limited. Objective To compare the chemical compositions of BZ and HBZ and find the chemical makers for discrimination and quality evaluation of the two botanical origins of Angelicae dahuricae Radix. Methodology A high‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry method was established for chemical profiling of BZ and HBZ. Then, a quantitative analysis of multiple components by a single marker method was developed for simultaneous determination of nine bioactive coumarins (xanthotoxol, oxypeucedanin hydrate, byakangelicin, xanthotoxin, bergapten, oxypeucedanin, phellopterin, imperatorin and isoimperatorin). Moreover, chemometrics were performed to compare and discriminate BZ and HBZ samples. Results A total of 30 coumarins compounds were identified, and the chemical compositions in BZ and HBZ were quite similar. The quantitative analysis showed that there were significant differences in the contents of bioactive coumarins, and the chemometric analysis indicated five coumarins (xanthotoxol, xanthotoxin, bergapten, phellopterin and isoimperatorin) were responsible for the significant differences between BZ and HBZ, which could be used as chemical markers to distinguish the two original plant sources of Angelicae dahuricae Radix. Conclusion The present work provided useful information for understanding the chemical differences between BZ and HBZ and also provided feasible methods for quality evaluation and discrimination of herbal medicines originating from multiple botanical sources.

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“…Sample preparation and experimental condition on UHPLC-MS were listed in our previous study (Shi et al, 2021). The quality control (QC) sample was a mixture of all samples.…”

Section: Metabolites Extraction and Uhplc-ms Analysis Based On Q Exac...mentioning

confidence: 99%

“…The data were aligned with mass window (< 0.05 mDa) and retention time window (< 0.2 min). The metabolic features were identi ed by using the accurate MS and MS 2 spectra with searching in reliable biochemical databases, such as HMDB, ChemSpider, Metlin, PubChem, MoNa database, literature references (Luo et al, 2015;Tang et al, 2015;Shi et al, 2021) and authentic standards.…”

Section: Uhplc-ms Data Processing and Analysismentioning

confidence: 99%

· Integrated metabolic and transcriptomic profiles reveal the germination-associated dynamic changes for Cassiae Semen

Chen

Shi

et al. 2022

Preprint

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Introduction The seeds of Cassia obtusifolia L. (Cassiae Semen) have been widely used as both food and traditional Chinese medicine in China. Objectives For better understanding the metabolic mechanism along with germination, different samples of Cassiae Semen at various germinating stages were collected. Methods These samples were subjected to 1H-NMR and UHPLC/Q-Orbitrap-MS based untargeted metabolomics analysis together with transcription analysis. Results A total of fifty differential metabolites (mainly amino acids and sugars) and twenty key genes involved in multiple pathways were identified in two comparisons of different groups (36 h vs 12 h and 84 h vs 36 h). The metabolic and gene network for seed germination was depicted. In the germination of C. Semen, the fructose and mannose metabolism pathway was activated, indicating energy was more needed in the testa rupture period (36 h). In the embryonic axis elongation period (84 h), the pentose and glucuronate interconversions pathway, and phenylpropanoid biosynthesis pathway were activated, which suggested some nutrient sources (nitrogen and sugar) would be demanded. Furthermore, oxygen, energy and nutrition should be supplied through the whole germination process. These global views open up an integrated perspective for understanding the complex biological regulatory mechanism during seed germination process of C. Semen.

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Investigation on the stability in plant metabolomics with a special focus on freeze-thaw cycles: LC–MS and NMR analysis to Cassiae Semen (Cassia obtusifolia L.) seeds as a case study

Cited by 10 publications

References 33 publications

Advances in Plant Metabolomics and Its Applications in Stress and Single-Cell Biology

Advances in Plant Metabolomics and Its Applications in Stress and Single-Cell Biology

Chemical comparison and discrimination of two plant sources of Angelicae dahuricae Radix, Angelica dahurica and Angelica dahurica var. formosana, by HPLC‐Q/TOF‐MS and quantitative analysis of multiple components by a single marker

· Integrated metabolic and transcriptomic profiles reveal the germination-associated dynamic changes for Cassiae Semen

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