Phytochemical Analysis最新文献

Background: Talinum paniculatum root (pseudo ginseng in Chinese) is a widely distributed medicinal plant material in Asia, Africa, and America. However, its chemistry remains poorly understood nowadays.

Methods: Fresh Talinum paniculatum root was treated for the preparation of a lyophilized aqueous extract. The extract thereafter was subjected to qualitative and quantitative analysis using the library-aided ultra-high-performance liquid chromatography-quadrupole-Exactive-Orbitrap-tandem mass spectrometry (UHPLC-Q-Exactive-Orbitrap-MS/MS) technology.

Results: Based on MS/MS elucidation and comparison with the authentic standards in the library of UHPLC-Q-Exactive-Orbitrap-MS/MS apparatus, 22 compounds were accurately identified. Information retrieval suggested that 18 compounds belonged to "unexcavated" ones, which were found in the plant for the first time. Subsequently, all 22 compounds (including 18 "unexcavated" ones) were further quantified using the corresponding linear regression equations of authentic standards. All 22 compounds exhibited different contents from each other in the quantitative analysis. Particularly, synephrine had the highest content (8.159 ± 1.443 mg/g extract), and α-mangostin showed the lowest content (0.001 ± 0.000 mg/g extract), while chikusetsusaponin Iva displayed a moderate content (0.737 ± 0.274 mg/g extract).

Conclusion: On the basis of these results and relevant principles, synephrine, N-trans-feruloyltyramine, and chikusetsusaponin Iva are recommended as the anti-counterfeiting Q-markers of T. paniculatum root. These findings will help to understand the substance basis of the traditional medicinal functions of T. paniculatum root and to find a suitable quality-control method.

Introduction: Natural products are among the main ingredients of medicinal plants, and strategies that enhance their bioactive profile by elemental supplementation have emerged recently. Manganese is involved in various plant secondary metabolism pathways among different micronutrients.

Objectives: This study investigated the effects of ionic (MnSO₄, MnCl₂), bulk (Mn₂O₃), and nano (Mn₂O₃-NP) manganese forms on Artemisia annua's secondary metabolism. It also studied the influence of the application method (seed priming vs. seed priming + foliar).

Methods: For this purpose, untargeted UHPLC-QTOF-HRMS metabolomics was conducted.

Results: The findings revealed that Mn form and application method significantly influenced the metabolomic profile and secondary metabolite composition of the leaves and inflorescences, regardless of tissue type. Metabolomic profiling using untargeted analysis and multivariate statistical tools (PCA, PLS-DA, and VIP scoring) showed significant variation in bioactive compound accumulation. Mn₂O₃ and MnCl₂ were most effective in enhancing nitrogen-containing compounds, phenylpropanoids, flavonoids, and terpenoids, possibly via ROS-mediated biosynthesis. Mn₂O₃ strongly increased lignans, while Mn₂O₃-NP showed the highest artemisinin accumulation (3.2-3.7 mg g^-1 FW) compared to MnCl₂ and Mn₂O₃ (0.2-1.7 mg g^-1 FW). Key pharmacological metabolites such as vincristine, Momilactone A, and terbinafine were identified by VIP2 analysis.

Conclusion: Mn₂O₃-NP application through seed priming is a promising and cost-effective approach to modulate bioactive metabolite production in Artemisia annua.

Introduction: In this study, apigenin-7-O-β-glucoside (AGL) was isolated from Nepeta nuda; also, rosmarinic acid (RA) was isolated from N. aristata and N. nuda.

Objectives: The aim of this study is to investigate the enzyme inhibitory, DNA protective, and antibacterial effects of AGL and RA isolated from two Nepeta species.

Material and methods: 1D and 2D NMR spectra and an MS chromatogram were recorded to identify AGL and RA. The antibacterial and DNA protection activities, enzyme inhibition, and kinetics investigated of AGL and RA. Molecular interactions, molecular dynamics (MD) simulations, molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) calculations, density functional theory (DFT), molecular electrostatic potential (MEP) analyses, and prediction of activity spectra for substances (PASS) predictions for RA and AGL were investigated for the first time to evaluate the activity results.

Results: In this context, the inhibitory properties of AGL were higher in urease, α-amylase, and tyrosinase, whereas RA has a higher inhibitory activity on lipase, CA, and urease. In addition, AGL and RA showed effective antimicrobial activity against Staphylococcus aureus, while it also was effective DNA and deoxyribose protective activities. The stability of the complex formed by lipase, CA, and urease with RA and by tyrosinase and α-amylase with AGL was determined by MD simulations, and the energy results of RA were evaluated by MM-PBSA analysis. The DFT, MEP analysis, and PASS prediction showed that AGL and RA have a soft structure and can easily exchange electrons.

Conclusion: According to the results obtained from the current study, AGL and RA were explored as a drug model.

Introduction: Gentiana rigescens Franch. (Jianlongdan) and other Gentiana species (Longdan), including G. manshurica, G. scabra, and G. triflora, are valuable medicinal plants used in traditional Chinese medicine. However, their similar appearances and potential for market misidentification necessitate a rapid and accurate identification method.

Objective: This study aimed to develop a rapid identification method using Proofman-LMTIA technology to accurately identify Jianlongdan and prevent misidentification in the market.

Methods: Specific primers and Proofman probes were designed based on the differential region of Internal Transcribed Spacer 2 (ITS2) sequence between Jianlongdan and Longdan. The method's specificity, sensitivity, detection limit, and stability were evaluated, and its applicability to commercial gentian products was tested.

Results: The developed Proofman-LMTIA method demonstrated high specificity and sensitivity for Jianlongdan at an optimal reaction temperature of 56°C, with a detection limit of 10 pg/μL and the ability to identify 0.1% Jianlongdan in mixtures. The method showed good stability and was successfully applied to market samples.

Conclusion: The Proofman ladder-shape melting temperature isothermal amplification (Proofman-LMTIA) method offers a rapid, specific, and cost-effective tool for the authentication of Jianlongdan, crucial for ensuring the quality of herbal medicine and protecting consumers from misidentification and potential adulteration.

Background: Berberis cortex is a typical multi-origin species in Tibetan medicine, with varying medicinal effects among different species. Establishing a rapid and accurate identification method for the major species of Tibetan medicinal B. cortex, including Berberis vernae Schneid. (SY), Berberis diaphana Maxim. (XH), Berberis kansuensis Schneid. (GS), and Berberis dictyophylla Franch. (CHZ), is conducive to the quality control of B. cortex.

Methods: Site-specific PCR visualization using SYBR Green I was developed based on rbcL SNP sites for SY, GS, and CHZ. For XH, which cannot be differentiated through rbcL and other barcoding SNP sites, RAPD-PCR methodology was employed to screen for species-specific sequences. A site-specific amplification visualization system was subsequently developed based on the identified sequence.

Results: The developed site-specific PCR visualization systems demonstrated excellent sensitivity, with all systems capable of detecting genomic DNA at concentrations as low as 100 fg. These systems were employed to analyze 16 batches of actual B. cortex samples. The analysis revealed that four samples were identified as SY, six samples as GS, two samples as CHZ, and three samples as XH. All results were concordant with sequencing data. One remaining negative sample was confirmed through sequencing as adulterated with Phellodendri Chinensis Cortex. Further authentication of 10 batches of Tibetan patent medicines containing B. cortex revealed that 2 batches contained both SY and GS, one batch contained both SY and CHZ, three batches contained exclusively GS, and three batches contained XH.

Conclusion: A site-specific PCR fluorescence visual identification system has been developed for the authentication of four major B. cortex species, enabling accurate identification of botanical origins in both B. cortex crude materials and Berberis-containing Tibetan patent medicines.

Introduction: Crateva magna (Cm) was utilized as a folkloric medicine against neurological disorders.

Objectives: This study aimed to investigate the phytochemical profile of Cm leaf extract and its endophytic fungus, Nigrospora oryzae (No) extract. Additionally, the neuroprotective potential of their optimized bilosomes (BLs) will be assessed as an approach to Alzheimer's disease (AD) treatment.

Materials and methods: UPLC-ESI-MS/MS chemical profiling was performed. In vitro anti-Alzheimer activity of Cm and No extracts was evaluated against AChE and BACE1 enzymes. Cm-BLs and No-BLs were prepared using the thin-film hydration technique. In vivo anti-Alzheimer potential was assessed in a streptozotocin (STZ)-induced sporadic AD mouse model. Behavioral assays, neurochemical assays, RT-PCR analysis, histopathological examination, and immunohistochemical analysis were performed.

Results: Chemical profiling revealed diverse metabolites from various chemical classes. The major class identified in Cm extract was flavonoids, e.g., kaempferol-O-hexoside, whereas in No extract, it was alkaloids, e.g., phenazine carboxamide. The neuropathological markers (Aβ1-42, IL-6, and p-Tau protein) were reduced by ≈50% and 60% in mice receiving Cm-BLs and No-BLs, respectively, relative to the STZ group. Also, the BLs exhibited the greatest ability to downregulate the expression of p-JNK, p-P38, and p-ERK in the brain. Histopathological examination revealed that No-BLs showed the highest protection for the hippocampus and cerebral cortex regions. Also, it revealed a significantly decreased reaction for NFκB in cerebral cortex neurons.

Conclusion: Cm-BLs and No-BLs exhibit considerable potential as novel adjuvant therapies for AD, utilizing natural bioactive compounds to improve the efficiency of targeted drug delivery and enhance therapeutic outcomes.

Introduction: Cecropia angustifolia roots are a traditional source of pentacyclic triterpene acids (PTAs), bioactive compounds with promising therapeutic potential. In vitro cultivation offers a sustainable alternative to metabolite production while minimizing the impact on wild populations.

Objective: To compare the metabolic profiles of wild and in vitro cultivated C. angustifolia roots using ultrahigh-resolution mass spectrometry.

Methods: Root fractions from wild and in vitro cultivated materials were analyzed using negative-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI(-)-FT-ICR-MS) at 21 Tesla.

Results: Molecular analysis revealed diverse PTA species in both wild and in vitro root fractions. While in vitro cultivation produced a more streamlined metabolic profile, PTA content remained significantly enriched.

Conclusion: In vitro cultivation of C. angustifolia roots represents a viable strategy for sustainably producing pharmacologically relevant PTAs, supporting both conservation and the biotechnological use of natural products.

Introduction: The present investigation of Nymphoides hydrophylla is a Taiwan indigenous edible aquatic plant, belongs to the Menyanthaceae family, and has been used as a traditional food with potential medicinal values against fever, insect bites, ulcer, and skin diseases. Interestingly, we found that the plant extract showed a significant anti-inflammatory effect.

Objectives: The aim is isolation, structure elucidation, and anti-inflammatory evaluation of secondary metabolites from N. hydrophylla.

Material and methods: This study involves the bioactive isolation and structural studies of the pure compounds determined by NMR, UV, IR spectroscopies, and HRMS. The anti-inflammatory activity of the pure compounds was evaluated in vitro. In addition, isolates showed remarkable anti-inflammatory activities to regulate superoxide anion generation and elastase release in fMLF/CB-induced human neutrophils.

Results: This study conducted 10 oleanane-type saponins with oligoglycoside linkage, including two new (1 and 2) identified from the butanol extract of N. hydrophylla. As a result, Compounds 1 and 2, representing new triterpene saponins, have not been previously reported. In vitro anti-inflammatory tests revealed that Compounds 1, 5-7, 9, and 10 showed significant anti-inflammatory effects by inhibiting superoxide anion generation with IC₅₀ values of 1.62, 0.92, 0.28, 2.69, 0.29, and 0.15 μM, respectively, whereas compounds 1, 5, 6, 9, and 10 showed potential inhibition on elastase release in human neutrophils, with IC₅₀ values of 0.19, 1.12, 0.70, 0.68, and 0.51 μM, respectively.

Conclusion: Our findings suggested that the components of N. hydrophylla have the potential to develop anti-inflammatory agents.

Introduction: A major limitation in current Traditional Chinese Medicine (TCM) research lies in its overreliance on single-factor analyses of chemical composition or pharmacodynamics, or simplistic combined models. While these approaches partially elucidate TCM characteristics, they fail to comprehensively capture its holistic complexity and inherent quality.

Objectives: The three-dimensional comprehensive evaluation method of "morphology-composition-efficacy (MCE)" was creatively introduced in this study, and the quality of four different varieties of Curcumae Radix was deeply and meticulously studied.

Materials and methods: Curcumae Radix from different sources was collected, and its external morphology (volume and weight, color and smell), internal composition (extract, fingerprint and literature knowledge network diagram) and drug effect (efficacy of zebrafish on improving qi stagnation and blood stasis) were analyzed. The differences in composition and morphology of four kinds of Curcumae Radix were studied by HPLC fingerprint, chromaticity identification model, and BP-ANN classification model. Secondly, through the experiment of zebrafish "qi stagnation and blood stasis" model, the improvement effect of four kinds of turmeric on "qi stagnation and blood stasis" was explored. Finally, the relationship between the three dimensions of MCE of Curcumae Radix was discussed through Pearson analysis.

Results: The pharmacodynamic experiment of zebrafish confirmed that all four kinds of Curcumae Radix showed the activity of treating "qi stagnation and blood stasis" and Curcuma phaeocaulis Val. (LSYJ) had the best effect comprehensively. And through Pearson analysis, it can be concluded that the smaller the external volume and weight of Curcumae Radix, the stronger the characteristic odor (W5S, W1W, and W2W), the closer the powder color is to red and yellow, the higher the internal extract (JCW) content of Curcumae Radix, the higher the contents of germacrone (JMT), furanodiene (FNEX), and β-elemene (β-LXX), and the better the efficacy of improving the disease of "qi stagnation and blood stasis," among which JMT is the key drug component.

Conclusion: The research demonstrates the value of a three-dimensional evaluation system for TCM quality assessment, providing insights into the relationship between morphology, composition, and efficacy. It offers a new perspective for quality control and evaluation of Curcumae Radix and provides a scientific basis for the clinical treatment of "qi stagnation and blood stasis" related diseases.

Introduction: Aconitine, the main toxic and active compound in Aconitum species, is a key component of Traditional Chinese Medicine (TCM), valued for its anti-inflammatory, cardiotonic, and analgesic properties. However, its potent neurotoxicity and cardiotoxicity, potentially leading to fatal outcomes, necessitate careful evaluation and management.

Objectives: Accurately identifying aconitine in natural products is one of the hot issues of international concern regarding the safety of TCM. This review systematically evaluates the current scientific literature to assess advancements in analytical methodologies for identifying and quantifying aconitine.

Methods: This review systematically evaluates literature from 2000 to 2025 regarding analytical methods for aconitine determination, utilizing databases such as PubMed, ScienceDirect, and Google Scholar.

Results: From 2237 identified articles, 90 were evaluated. This review highlights the advantages of LC-MS, DESI-MSI, and ambient MS techniques for identifying and quantifying aconitine, emphasizing their rapid analysis, minimal sample preparation, and cost-effectiveness. These advanced methods offer significant potential for reliable applications in various fields. DESI-MSI and DART-MS enable solvent-free, rapid analysis in native conditions, whereas oEESI-MS offers high throughput, precise quantification, and reduced solvent/sample use. The modified methods, H-oEESI-MS, allow direct analysis of Aconitum herbal materials without pretreatment, demonstrating high efficiency.

Conclusions: This review identifies research gaps and future directions using advanced analytical methods for aconitine determination, aiming to enhance quality control, regulatory compliance, and product safety. The integration of artificial intelligence into aconitine detection and analysis in TCM presents transformative potential, promising enhanced accuracy, efficiency, and safety while stimulating innovation and guiding future research directions in analytical science.