Phytochemical Analysis最新文献

Introduction: Langdu (SSC) is the dried root of Stellera chamaejasme L. Due to its toxicity, the milk-processed (NSC), Terminalia chebula decoction-processed (HSC), wine-processed (JSC), and vinegar-processed (CSC) products are predominantly employed in clinical practice.

Objective: To illuminate the difference in color, volatile, and non-volatile compounds among the processed products of SC.

Material and methods: SC was processed into five products. Color characteristics, volatile, and non-volatile compounds were systematically analyzed using electronic eye, electronic nose, and HPLC analyses. Multivariate statistical analyses comprising principal component analysis (PCA), hierarchical cluster analysis (HCA), discriminant factor analysis (DFA), partial least squares discriminant analysis (PLS-DA), and correlation analysis were performed.

Results: Following processing, significant differences in color, volatile, and non-volatile components were observed. The established chemometric models demonstrated rapid discriminative capability to the five products, with seven volatile components and 16 non-volatile components identified as potential chemical markers. Quantitative analysis revealed increased levels of daphnetin and scopoletin and decreased levels of bergenin and chamaechromone after processing. Pearson's correlation analysis revealed significant positive correlations between the lightness (L*) value in the CIELAB color space and scopoletin (p < 0.001) or 7-hydroxycoumarin (p < 0.001), while the b* (yellow-blue) axis showed significant positive correlations with daphnetin (p < 0.001) and isopimpinellin (p < 0.05) contents. Additionally, a* (red-green) axis showed significant negative correlations with daphnetin, 7-hydroxycoumarin, and daphnoretin levels (p < 0.01).

Conclusion: The established models efficiently, accurately, and reliably discriminated the different processed products of SC through multidimensional characterization. These potential chemical markers and correlation patterns provide the scientific foundation for toxicity reduction assessment and processing standardization.

Polyphenols are the plant-derived chemicals that have antioxidant properties and provide a wide range of health applications. Traditional polyphenol extraction techniques are limited in scalability, efficiency, and environmental effect. To address these constraints, various advanced approaches came into existence, like ultrasound-assisted extraction, microwave-assisted extraction, and supercritical fluid extraction. These sophisticated approaches come with several benefits over traditional extraction approaches. These advanced extraction methods are more efficient, use very low amounts of solvents, and have minimal environmental effect. These techniques can retain the integrity of bioactive chemicals and are suitable for large-scale extraction, too. Polyphenol-rich extracts have a wide range of uses. They can be utilized as ingredients or additives in foods, cosmetics, and coatings and packing materials. The advancement of these new techniques will be critical for the future polyphenol extraction with an emphasis on sustainability-related factors. These approaches have the potential to address the growing demand for polyphenols while also helping to create more efficient and sustainable extraction procedures.

Introduction: Antibiotic-associated diarrhea (AAD) is a common side effect after the use of antibiotics, characterized by symptoms like diarrhea and abdominal pain. However, the active components and in vivo metabolism of the Coptidis Rhizoma-Aucklandiae Radix herb pair (CR-AR) in the treatment of AAD remain unclear.

Objective: This study aimed to (1) investigate the prototype components, metabolites, and potential metabolic pathways of CR-AR in AAD mice and (2) compare the concentration of six active components between healthy and AAD mice.

Materials and methods: AAD model mice received oral administration of the CR-AR extract. UPLC-Q-Exactive-Orbitrap-HRMS was used to analyze the prototype components and metabolites in serum, feces, and intestines of AAD mice. A prototype components-targets-pathways-AAD network was developed using network pharmacology to identify active components and effective targets of CR-AR in treating AAD, based on prototypes detected in serum, fecal, and intestinal samples. Additionally, a comparative analysis of the concentration of six active components was conducted between healthy and AAD mice using UPLC-QqQ-MS.

Results: A total of 45 components were identified in the extract of CR-AR. Among them, 16 prototype compounds and 47 metabolites were identified, and potential metabolic pathways (including hydroxylation, demethylation, reduction, hydrolysis, hydrogenation, and glucuronidation) were proposed. Based on the 16 prototype components, six potentially active components (berberine, jatrorrhizine, palmatine, columbamine, epiberberine, and dehydrocostus lactone) were screened from the prototype components-targets-pathways-AAD disease network. Targeted quantitative analysis showed that alkaloid-based active components were significantly more concentrated in the intestines of AAD mice than in healthy mice after 6 h (p < 0.05).

Introduction: The role of macromolecular components in traditional Chinese medicines (TCMs) decoction remains poorly understood, primarily because of their structural complexity and limited systemic bioavailability. In the modernization of TCMs' decoctions, macromolecular components are often removed as "poor bioavailable impurities" by ethanol precipitation that might attenuate the efficacy thereof.

Purpose: A novel strategy integrating LC-MS-based serum pharmacochemistry, network pharmacology, and pharmacodynamics was developed to reveal the role of macromolecular components in TCMs' decoction, using Qi-Huo-Yi-Fei decoction (QH) treating chronic obstructive pulmonary disease (COPD) as a case study.

Materials and methods: QH was separated into macromolecular components (QH-M) and small molecular components (QH-S) by ethanol precipitation. The absorbed components of QH and QH-S in serum were qualitatively and semiquantitatively analyzed by UPLC-QTOF-MS/MS. The differences in targets and pathways of the absorbed components were predicted by network pharmacology analysis. The therapeutic effects on pulmonary function, histopathology, and inflammation of QH, QH-S, and QH-M were comparatively investigated on a COPD rat model.

Result: A total of 103 components were identified in QH and QH-S, whereas 86 and 72 were detectable in QH- or QH-S-treated serum, respectively. The highest levels of absorbed components appeared from 15 to 60 min for QH-S and at 15 min for QH. The concentrations of most absorbed components of QH were twofold higher than those of QH-S. Their protein-protein interaction (PPI), herb-component-target networks, and GO/KEGG enrichment pathways were quite different, mainly in inflammatory, immunity, and cell apoptosis processes. QH-M improved pulmonary function, histopathology, and inflammatory infiltration, mainly on FVC (p < 0.05), thickness/external diameter (p < 0.01), Wac/Pbm (p < 0.01), TNF-α (p < 0.01), and IL-17 (p < 0.05). Meanwhile, QH was more effective than QH-S, mainly on FEV0.3/FVC, MAN, GC/CC, TNF-α, and IL-17.

Conclusion: QH-M was not only effective independently on COPD but also showed integrative effects with the coexisting QH-S in improving their absorption, thus strengthening the component-target interactions, and consequently contributing to the COPD therapeutic effects of QH. Therefore, it was confirmed that QH-M was essential for QH's COPD therapy and should not be removed during the modern preparation development.

Background: Saposhnikovia divaricata (Turcz.) Schischk. (S. divaricata), a traditional Chinese medicine, is renowned for its dried roots rich in phenolic compounds, which exhibit significant medicinal values in anti-inflammatory, analgesic, and other therapeutic fields. Cultivating medicinal plants has been validated as an effective strategy to enhance the supply of phenolic-rich raw materials. However, the efficient fertilization strategy of nitrogen-a key nutrient-and its regulatory mechanisms on plant growth and phenolic metabolism in S. divaricata remain unclear.

Purpose and study design: This study aimed to explore nitrogen's effects on S. divaricata growth and phenolic accumulation. Field experiments used four nitrogen treatments: no nitrogen fertilization (CK), low nitrogen fertilization (9 g/m^²), medium nitrogen fertilization (18 g/m^²), and high nitrogen fertilization (27 g/m^²). Growth indices and phenolic metabolites were analyzed via UPLC-MS and multivariate statistics.

Results: The results showed that the medium nitrogen treatment (18 g/m^²) significantly promoted the growth of S. divaricata, with plant height and single-plant biomass reaching 26 ± 0.3 cm and 19.04 ± 0.96 g, respectively, and optimal root development (root length 14.7 ± 0.2 cm). Additionally, nitrogen application significantly promoted the synthesis of phenolic compounds and enhanced the tolerance of S. divaricata to nitrogen stress, which is conducive to safeguarding and elevating its medicinal value. For specific bioactive substances, the contents of prim-o-glucosyl-cimifugin, 4'-o-β-glucosyl-5-o-methylvisamminol, cimifugin, and sec-o-glucosylhamaudol in S. divaricata under medium nitrogen concentration were notably higher than those in the no-nitrogen fertilization group.

Conclusion: This study confirms that medium nitrogen levels can synergistically enhance the growth and accumulation of medicinal active components in S. divaricata, providing a theoretical basis for the precise application of nitrogen fertilizers and quality regulation in medicinal plant cultivation.

Background: Goat bezoar (Houzao in Chinese, also called "monkey" bezoar or Caprae Calculus) is a valued traditional Chinese medicine (TCM) used in the treatment of pediatric cough for centuries. However, its undefined chemical composition hinders quality control and mechanistic understanding, limiting its modernization and further development.

Objective: This study aims to comprehensively characterize the chemical composition of goat bezoar and develop a robust quality control method.

Method: UPLC-qTOF-MS was first utilized to analyze the methanol extract of goat bezoar reference material. Markers specific to the medicinal portion were identified by comparing the chemical profiles with the non-medicinal portion and 50 co-formulated TCMs. Amino acid composition and ash content were also determined. Validated quantitative methods for these markers were subsequently developed using both UPLC-qTOF-MS and UPLC-DAD and applied to assess the quality of 13 batches of raw goat bezoar material and 38 batches of commercial products.

Results: Eight characteristic markers, including ellagic acid and seven of its gut microbial metabolites (urolithins), were identified exclusively within the medicinal portion. Ellagic acid (72.72%-89.41%) and total urolithins (2.14%-5.13%) were major components. These, along with amino acids (1.19%-5.91%) and total ash (2.09%), account for over 90% of the medicinal portion's composition. The analysis of commercial materials and products using this method revealed that goat bezoar may be absent in 20 commercial products while all the goat bezoar powder samples were authentic.

Conclusion: This study provides the first comprehensive chemical characterization of goat bezoar, revealing its unique composition and establishing it as the only known TCM with urolithins. Validated quantitative methods for ellagic acid and urolithins provide a crucial quality control tool, paving the way for further research, development, and modernization of this valuable TCM.

Introduction: Tangerine peel tea, a bioactive-rich plant beverage containing hydrophobic flavonoids (hesperidin, naringin, and neohesperidin), faces analytical challenges in quality control due to poor aqueous solubility.

Objectives: In order to determine the hydrophobic flavonoids components in tangerine peel tea and evaluate its quality, this experiment was carried out.

Method: An eco-friendly offline-online capillary electrophoresis stacking strategy integrating polyethylene glycol (PEG)-based aqueous biphasic extraction with borate complexation-assisted micelle-to-cyclodextrin stacking was developed. Critical parameters influencing separation, enrichment, and extraction efficiency were systematically optimized. The method was subsequently validated for accuracy, precision and green evaluation.

Results: Following single-factor optimization, the online stacking parameters were defined as 90 mmol/L sodium tetraborate and 35% (v/v) methanol in the background solution, with injection times fixed at 40 s (SDS), 20 s (cyclodextrin), and 200 s (sample). Offline pretreatment employed a salt PEG sample aqueous biphasic system (ABS) for extraction. Under optimized conditions, the method demonstrated excellent linearity (r ≥ 0.998) and low detection limits (40-50 ng/mL), achieving a 723-fold sensitivity enhancement over conventional detection. Greenness assessment confirmed superior sustainability, and the method successfully quantified three hydrophobic targets (hesperidin, naringenin, and neohesperidin) in tangerine peel tea and spiked rat urine with high accuracy.

Conclusion: The proposed strategy establishes a robust analytical platform for nutraceutical quality control, resolving critical challenges in quantifying poorly soluble bioactive compounds through optimized online stacking and aqueous biphasic extraction.

Background: Alzheimer's disease (AD) is one of the most common forms of dementia among the elderly in the world. With the increase of human life expectancy, its incidence is also increasing year by year. Tacrine (TAC) is the first acetylcholine inhibitor approved for the treatment of AD. Although TAC has obvious anti-AD activity, it was eventually delisted due to acute liver injury caused by its strong hepatotoxicity. Rosmarinic acid (RA) has shown good activity in both neuroprotection and hepatoprotection.

Purpose and study design: In this study, the combination of RA and TAC was explored, and a high dose of d-galactose was used to build an AD mouse model, which was given at the same time for 4 weeks in order to alleviate TAC hepatotoxicity and enhance the intervention of AD in mice through RA. In particular, we pay attention to the key role of Aβ and microglia in the pathogenesis of AD, so we evaluate the ability of RA combined with TAC in alleviating chronic neuroinflammation induced by Aβ plaque in the brain of AD mice and enhancing the ability of microglia to clear Aβ plaque.

Results: The results show that the combination of RA and TAC has the best intervention effect on AD compared with the single use of the two drugs, and it is basically positively correlated with RA dose. RA + TAC significantly improved body weight, organ index, and behavioral state of AD mice. Further analysis showed that RA + TAC enhanced the antioxidant level of hippocampus and serum of AD mice, alleviated the pathological damage of hippocampus, significantly improved cholinergic system, reduced the expression levels of AB plaque and neurotoxic Aβ1-41 and Aβ1-42 in the brain, and significantly increased the level of neuroprotective protein trigger receptor expressed on myeloid cells 2 (TREM2), which mediated the phagocytosis of microglia. More importantly, the combination therapy of RA and TAC decreased the expression of M1 microglia marker (ionized calcium-binding adapter molecule 1 [Iba-1]), increased the expression of M2 microglia marker Arg-1, and promoted the release of anti-inflammatory compounds. In addition, RA + TAC also inhibited the mRNA expression of TLR4 and NF-κB related to neuroinflammation. In the aspect of liver function, RA reduced cell death mediated by Caspase-3 by regulating the expression of bcl-2/bax, alleviated TAC-induced liver injury in mice, and made the serum indexes of ALT, AST, ALP, TBIL, and γ-GT reflecting liver function closer to the normal range.

Conclusion: The combination of RA and TAC shows the potential to reduce the hepatotoxicity of TAC and is expected to enhance its therapeutic effect on AD.

Introduction: Lavender (Lavandula angustifolia) is valued in the food and pharmaceutical industries for its unique aroma, owing to oxygenated monoterpenoids such as linalool, linalyl acetate, lavandulyl acetate, 1,8-cineole, and terpinene-4-ol, which contribute to the quality of lavender essential oil (LEO). It is rich in flavonoids and phenolics like rosmarinic acid. LEO and phenolic yields depend on agronomic attributes, processing techniques, and extraction methods.

Objectives: This review aims to provide a comprehensive overview of the newly developed technologies and their optimization parameters to maximize oil yield, aroma quality, and phenolic content.

Methods: Related sufficient evidence has been collected from prominent scientific databases, including PubMed, Web of Science, ScienceDirect, and Google Scholar. Data concerning the phytochemistry, biological impacts, agricultural aspects, and processing approaches of Lavender were collected and assessed.

Results: The diverse aspects of LEO production, including agricultural factors, climatic conditions, and processing techniques, are reviewed to identify the optimal parameters. Furthermore, technologies including GC/MS, HPLC/MS, and IR highlight the relevance of metabolomics in lavender quality control and analysis. In addition, lavender's anti-inflammatory, antioxidant, and enzyme-inhibiting properties are highlighted.

Conclusions: Metabolomic analyses offer comprehensive insights into the biochemical composition of lavender, allowing researchers to identify metabolites linked to favorable agricultural traits, disease resistance, optimized oil extraction, superior quality attributes, and potential nutraceutical value; these data-driven findings guide targeted breeding, cultivation strategies, and product development. Lavender (L. angustifolia) is widely recognized for its aroma and health-promoting compounds, including monoterpenoids and phenolics like rosmarinic acid. Essential oil yield and quality depend on cultivation methods and extraction techniques. This review evaluates recent technological advances to optimize oil production, aroma, and phenolic content, using metabolomics techniques to comprehensively analyze lavender constituents. This comprehensive profiling reveals lavender's defensive mechanisms by linking its constituents to considerable health benefits. The findings help improve lavender quality and use in health and well-being.