Integrated Metabolomics Approach Reveals the Dynamic Variations of Metabolites and Bioactivities in Paeonia ostii 'Feng Dan' Leaves during Development.

Paeonia ostii 'Feng Dan' is widely cultivated in China for its ornamental, medicinal, and edible properties. The whole plant of tree peony is rich in bioactive substances, while the comprehensive understanding of metabolites in the leaves is limited. In this study, an untargeted metabolomics strategy based on UPLC-ESI-TOF-MS was conducted to analyze the dynamic variations of bioactive metabolites in P. ostii 'Feng Dan' leaves during development. A total of 321 metabolites were rapidly annotated based on the GNPS platform, in-house database, and publications. To accurately quantify the selected metabolites, a targeted method of HPLC-ESI-QQQ-MS was used. Albiflorin, paeoniflorin, pentagalloylglucose, luteolin 7-glucoside, and benzoylpaeoniflorin were recognized as the dominant bioactive compounds with significant content variations during leaf development. Metabolite variations during the development of P. ostii 'Feng Dan' leaves are greatly attributed to the variations in antioxidant activities. Among all tested bacteria, the leaf extract exhibited exceptional inhibitory effects against Streptococcus hemolytis-ß. This research firstly provides new insights into tree peony leaves during development. The stages of S1-S2 may be the most promising harvesting time for potential use in food or pharmaceutical purposes.

A Novel Strategy for Unveiling Spatial Distribution Pattern of Gallotannins in Paeonia rockii and Paeonia ostii Based on LC-QTRAP-MS.

Gallotannins (GTs) are a series of hydrolyzable tannins with multiple health-promoting effects. In this study, an integrated liquid chromatography tandem mass spectrometry (LC-MS/MS) strategy was developed for unveiling the spatial distribution pattern of GTs in the emerging oilseed crops Paeonia rockii and P. ostii. According to the fragmentation behavior of the representative GT (1,2,3,4,6-penta-O-galloyl-ß-D-glucose, PGG), the diagnostic neutral loss (NL) of 170 Da was chosen for the non-targeted screening of GT precursors. Simultaneously, the tandem mass spectrometry spectrum (MS/MS) information was acquired through an enhanced product ion (EPI) scan. Nine major GTs were identified in tree peony. To quantify the targeted GTs in different tissues of tree peony, we established a multiple reaction monitoring (MRM)-enhanced product ion (EPI)-based pseudo-targeted approach under the information-dependent acquisition (IDA) mode. The quantitative results show that the GT compounds were ubiquitous in tree peony plants with diverse structures. The typical GT PGG was mainly distributed in roots, leaves, and petals. This strategy can also be utilized for metabolite characterization and quantification in other substrates.

Comprehensive metabolite profile of multi-bioactive extract from tree peony (Paeonia ostii and Paeonia rockii) fruits based on MS/MS molecular networking.

Tree peony seed, traditionally used for edible oil production, is rich in α-linolenic acid. However, little attention is given to the fruit by-products during seed oil production. The present work aimed to comprehensively investigate the phytochemical constituents and multiple biological activities of different parts of tree peony fruits harvested from Paeonia ostii and Paeonia rockii. 130 metabolites were rapidly identified through UPLC-Triple-TOF-MS on the basis of MS/MS molecular networking. Metabolite quantification was performed through the targeted approach of HPLC-ESI-QQQ-MS. Eight chemical markers were screened via principal component analysis (PCA) for distinguishing species and tissues. Interestingly, two dominant compounds, paeoniflorin and trans-resveratrol, are specially localized in seed kernel and seed coat, respectively. Unexpectedly, the extracts of fruit pod and seed coat showed significantly stronger antioxidant, antibacterial, and anti-neuroinflammatory activities than seed kernel from both P. ostii and P. rockii. Our work demonstrated that tree peony fruit is promising natural source of bioactive components and provided its potential utilization in food and pharmaceutical industries.

Bioactive components, antioxidant and antimicrobial activities of Paeonia rockii fruit during development.

In last ten years, much attention focused on tree peony fruit (TPF) for edible oil production despite other potential utilization. The present study identified and quantified 29 bioactive components by liquid chromatography-electrospray ionization-triple quadrupole-mass spectrometry (LC-ESI-QqQ-MS) targeted approach during the development of TPF. Trans-resveratrol, benzoic acid, luteolin, and methyl gallate were selected as predominant chemical markers between seeds and pods through principal component analysis (PCA) and orthogonal partial least square-discriminant analysis (OPLS-DA). Extremely high levels of paeoniflorin (1893 mg/100 g) and trans-resveratrol (1793 mg/100 g) were observed at stage 2 (S2) and S6 in seeds, respectively. Antioxidant activities determined by ABTS+•, DPPH•, and FRAP assays showed significant correlations with total phenolic content (TPC) and total flavonoid content (TFC). The strongest antibacterial effects of pod and seed against Staphylococcus aureus and Proteus vulgaris occurred at initial stages and maturation stages. TPF could be a potential source of bioactive compounds with functional properties.