Search Results (96)

Lippia multiflora Moldenke is widely used in Angola, on the African continent, and beyond for the treatment of many health conditions such as hypertension, enteritis, colds, gastrointestinal disturbances, stomachaches, jaundice, coughs, fevers, nausea, bronchial inflammation, conjunctivitis, malaria, and venereal diseases. However, there is limited literature about the active compounds linked with the reported biological activities. This study aims to assess the chemical profiles, antioxidant properties, and the cytotoxicity effects of the roots, stem bark, and leaves of L. multiflora. Chemical characterization of the crude extracts was assessed through quantification of total phenolic and flavonoid contents followed by Q exactive plus orbitrap™ ultra-high-performance liquid chromatography-mass spectrometer (UHPLC-MS) screening. The correlation between the extracts and the correlation between the compounds were studied using the multivariate analysis. Principal component analysis (PCA) loading scores and principal component analysis (PCA) biplots and correlation plots were used to connect specific compounds with observed biological activities. The antioxidant activities of the crude extracts were carried out in vitro using DPPH (2,2-diphenyl-1-picrylhydrazyl) free radical scavenging and reducing power assays, while the in vitro toxicology of the crude extracts was evaluated using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. A total of twenty constituents were characterized and identified using the UHPLC–Q/Orbitrap/MS. The methanol leaf extract showed the highest antioxidant activity in the DPPH free radical scavenging activity (IC₅₀ = 0.559 ± 0.269 μg/mL); however, the stem bark extract had the highest reducing power (IC_0.5 = 0.029 ± 0.026 μg/mL). High phenolic and flavonoid content was found in the dichloromethane leaf extract (32.100 ± 1.780 mg GAE/g) and stem bark extract (624.153 ± 29.442 mg QE/g), respectively. The results show the stem bark, methanol leaf, and dichloromethane leaf extracts were well-tolerated by the Vero cell line at concentrations up to 50 µg/mL. However, at 100 µg/mL onward, some toxicity was observed in the root, methanol leaf, and dichloromethane leaf extracts. The UHPLC–Q/Orbitrap/MS profiles showed the presence of terpenoids (n = 5), flavonoids (n = 5), phenols (n = 4), alkaloids (n = 3), coumarins (n = 1), fatty acids (n = 1), and organic acids (n = 1). According to several studies, these secondary metabolites have been reported and proven to be the most abundant for antioxidant potential. The identified flavonoids (catechin, quercitrin, and (−)-epigallocatechin) and phenolic compound (6-gingerol) can significantly contribute to the antioxidant properties of different plant parts of L. multiflora. The research findings obtained in this study provide a complete phytochemical profile of various parts of L. multiflora that are responsible for the antioxidant activity using UHPLC–Q/Orbitrap/MS analysis. Furthermore, the results obtained in this study contribute to the scientific information or data on the therapeutic properties of Lippia multiflora and provide a basis for further assessment of its potential as a natural remedy. Full article

Allium chinense G. Don is valued for its edible and medicinal qualities. It has been reported that Allium chinense has the potential to inhibit platelet activation, but its mechanism of action is unknown, which needs to be further explored. This study investigates the anti-myocardial ischemia–reperfusion (I/R) injury potential of Allium chinense from the perspective of platelet activation, focusing on its chemical composition and underlying mechanisms of action. A combination of transcriptome sequencing, molecular docking, and experimental validation was employed in our study. The antiplatelet active fraction MT-95ET of Allium chinense was screened by the ADP-induced platelet aggregation model in vitro. In vivo experiments demonstrated that MT-95ET can reduce the myocardial injury of I/R rats and inhibit I/R-induced platelet activation, adhesion, and aggregation. UHPLC-Q-Orbitrap-MS/MS was used to identify 13 compounds from MT-95ET. Transcriptome sequencing and molecular docking identified aerobic glycolysis key checkpoints PDK1 and PKM2 as key targets, with Sarsasapogenin and Hecogenin exhibiting strong binding affinities to these proteins. Western blot analysis further validated that MT-95ET downregulated PKM2 and PDK1, indicating a possible mechanism for its antiplatelet effects and anti-myocardial I/R injury. Full article

In recent years, the harms and abuse of synthetic cannabinoids (SCs) have attracted extensive attention in society. Their structures have been updated rapidly, which brings great challenges for continuous detection and drug identification. The aim of this study was to elucidate the metabolites of 26 kinds of abused SCs produced in human liver microsomes (HLMs) and rats and to explore the metabolism of indole amides, indazole amides, azaindoles, naphthyl indoles, cyclopropylindoles, naphthyl benzimidazole, and naphthyl pyrrole SCs in vivo and in vitro. Human liver microsomes were incubated with SCs to simulate human metabolic processes, and the in vitro metabolic model of liver microsomes was established. After the SD rats were randomized into groups, 26 kinds of SCs and normal saline were injected respectively to establish the rat model after exposure. The metabolites were identified one by one using a UHPLC-Q-Exactive Orbitrap MS method to explore the metabolic law. A total of 609 metabolites were identified, involving 30 metabolic pathways. The metabolism of SCs was summarized from the parent nuclear group, the head group, the linking group, and the tail side chain, and the mass spectral fragmentation pattern of the metabolites was analyzed in order to provide reference for the examination and identification of SCs-related cases. Full article

The flower buds of Magnolia biondii Pamp. (MBP), one of the botanical sources of Xinyi (Flos Magnoliae), are widely used in traditional medicine; however, their potential role in melanoma treatment remains unexplored. In this study, the phytochemical composition, antioxidant activity, and anti-melanoma mechanisms of MBP extracts were systematically investigated. Phytochemical profiling using UHPLC-Q-Exactive Orbitrap MS identified 26 bioactive compounds. The ethanol extract exhibited high total flavonoid and polyphenol contents, correlating with enhanced antioxidant capacity as demonstrated by DPPH and ABTS assays. Network pharmacology analysis highlighted the JAK/STAT signaling pathway, identifying STAT3 and STAT1 as core targets. Western blot analysis confirmed MBP significantly inhibited the phosphorylation of JAK1 and STAT1 in melanoma cells. Connectivity Map (CMap) and network analyses further pinpointed naringenin as a primary active constituent. In vitro assays demonstrated that MBP and naringenin inhibited the proliferation and migration of A375 and B16F10 melanoma cells, while exhibiting relatively low cytotoxicity toward normal keratinocytes. Molecular docking and dynamics simulations revealed strong and stable binding interactions between naringenin and JAK1/STAT1 proteins. These findings collectively support MBP and naringenin as promising candidates for melanoma treatment, providing mechanistic evidence for their targeted activity and laying a foundation for future research and clinical applications. Full article

In Romania, groundwater is an important source of drinking water, especially in rural areas. This study investigated the concentrations of organophosphorus, carbamate, and triazine pesticides (OPs) along with organochlorine pesticides (OCPs) in groundwater samples collected from the Titu-Sarata Plain. Sensitive analytical techniques were employed, including Ultrahigh-Performance Liquid Chromatography coupled with Q Exactive™ HF Hybrid Quadrupole-Orbitrap™ Mass Spectrometry (UHPLC-Orbitrap-MS/MS) and Gas Chromatography coupled with an electron capture detector (GC-ECD). Environmental and human health risks were assessed in the case of pesticides that exceeded the maximum allowed concentration. The environmental risk assessment (ERA) revealed significant risks associated with Phosdrin, Phorate, and pp’DDE. Additionally, particular concerns arose from the presence of Aldrin and Dieldrin, which pose a high carcinogenic risk, especially through groundwater consumption in agricultural areas. The results of this research highlight the need for the implementation of a continuous quality monitoring program for groundwater in the agricultural regions that were studied. Full article

Ziziphi Spinosae Semen saponins (ZSSS) show sedative–hypnotic activity but have very low bioavailability, potentially due to their conversion into bioactive metabolites by gut microbiota. In this study, the biotransformation of ZSSS by gut microbiota from healthy humans and patients with insomnia in vitro was analyzed. A total of 21 prototype compounds and 49 metabolites were identified using UHPLC-Q-Orbitrap-MS. Deglycosylation, deoxygenation, dehydration, and deacylation were detected in both healthy individuals and insomniacs. However, oxidation and hydrogenation were uniquely observed in insomniacs. ZSSS can enhance beneficial bacteria, such as Veillonella, Dialister, and Bacteroides. ZSSS can promote the synthesis of short-chain fatty acids (SCFAs), especially acetic acid, propionic acid, and butyric acid. Furthermore, it was found that the sedative–hypnotic activity of ZSSS was enhanced after biotransformation, as determined by a sodium pentobarbital-induced sleeping test (SPST), open-field behavior test (OFBT), and molecular docking experiment (MDE). These results collectively offer valuable insight into the mechanism of action of ZSSS. Full article

Background/Objectives: Periostracum Cicadae (PC) is commonly used to treat chronic atrophic gastritis (CAG), but its underlying mechanisms are unclear. We investigated the therapeutic effects, active ingredients and molecular mechanisms of PC on CAG. Methods: We analyzed the components in the serum extract of PC by UHPLC-Q-Orbitrap-MS/MS. Then, we used rat and cell models to assess the impact of PC on CAG and employed network pharmacology and bioinformatics to predict key targets and active ingredients. Finally, we confirmed hub targets through experiments and molecular docking. Results: A total of 22 components were identified in the PC extract-containing serum using UHPLC-Q-Orbitrap MS/MS. Network pharmacology combined with molecular docking revealed that the protective effect was primarily mediated by three compounds: (Z)-akuammidine, chicoric acid, and columbianadin. And we revealed that c-Fos/c-Jun signaling pathways were crucial in therapy. PC extract-containing serum inhibited the vitality, migration, invasion, and multiplication of MC cells (model cells for CAG), induced apoptosis, and caused G0/G1 phase cell cycle arrest. The expression level of tumor necrosis factor-alpha (TNF-α), interleukin-6 (IL-6), interleukin-1 beta (IL-1β) and gastrin 17 (G17) in the serum of CAG rats increased, while the expression level of pepsinogen I (PG I) and pepsinogen II (PG II) decreased. After 12 weeks of PC administration, these conditions were significantly improved. PC not only reduced the levels of antigen KI-67 (Ki67) and tumor protein p53 (P53) but also enhanced SRY-box Transcription Factor (SOX2). Simultaneously, PC down-regulated the expression of N-cadherin and Vimentin while up-regulating that of E-cadherin. Conclusions: PC inhibited epithelial–mesenchymal transition (EMT) via the c-Fos/c-Jun signaling pathway, thereby providing therapeutic benefits for CAG. Our study elucidates the mechanisms and material basis of PC in treating CAG, providing experimental evidence to support its clinical application. Full article

Gelatin from deer has garnered attention as a high-value health-promoting resource given its history of usage as a traditional Chinese medicine and recent studies demonstrating its biological activities. Mass spectrometry-based methods have increasingly been employed for species identification in collagen-based materials, effectively addressing challenges in quality control and authenticity verification. This study aims to identify characteristic marker peptides in gelatins from sika deer (Cervus nippon) to support their effective use as a health-promoting resource. Gelatin samples were enzymatically digested, and the resulting peptide mixtures were analyzed using ultra-high-performance liquid chromatography coupled with quadrupole Q-Exactive-Orbitrap mass spectrometry (UHPLC-Q-Exactive-Orbitrap MS). Marker peptide candidates were selected based on their high detection intensity and a literature review. Among the 28 selected marker peptide candidates, four peptides (P11, R2, R3, and R4) were defined as characteristic of sika deer gelatin. Comparative analyses with gelatins derived from donkey hide, bovine, porcine, and fish samples further confirmed the specificity of these peptides. These findings establish a robust analytical method for verifying the authenticity of sika deer gelatin, contributing to its safe and effective use as a health-promoting resource. Full article

Background: Kukeya tablets (KYs), a traditional ethnic medicine prescription, are widely used to treat migraines and eye ailments in China. Despite their extensive clinical use, current knowledge on their therapeutic material basis is limited to a few major compounds, whereas certain minor ones have rarely been investigated. This study was conducted to screen and characterize the chemical components of KYs. Methods: A rapid and effective UHPLC-Q-Orbitrap-HRMS method was established. A mass spectrometry qualitative analysis strategy for KYs was developed, including in-house library matching, accurate molecular mass and elemental composition matching, and MS/MS fragmentation rule elucidation. Results: In total, 144 compounds were identified in KYs, including 36 anthrones and anthraquinones, 36 chromones, 25 triterpenes, 12 resin glycosides, 12 phenylpyrones, 10 phenolic acids, 4 flavonoids, 2 lignans, and 7 others. Meanwhile, the identified compounds were effectively classified into nine chemical classes. Among them, 11 compounds were identified for the first time and the identities of 22 compounds were accurately confirmed using reference substances. Conclusions: The results obtained benefit the understanding of the therapeutic basis of KYs, significantly promote the quality control of KYs, and elucidate potential effective components of other traditional medicines. Full article

A Polygonatum cyrtonema Hua (PCH) is a common medicinal and edible plant whose rhizomes are widely used for the treatment and prevention of various diseases. Previous studies have revealed a variety of chemical components such as polysaccharides, saponins, and flavonoids, which possess a variety of biological activities such as antimicrobial, lipid-regulating, anti-aging, hypoglycemic, and anti-inflammatory. However, to date, the structure and activity of its oligosaccharide components are still unclear. In this study, we developed a method combining ultra-high-performance liquid chromatography with Q-Exactive Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap MS) and monosaccharide analysis for the identification of oligosaccharides in PCH. Finally, a total of 44 oligosaccharides, including 27 fructo-oligosaccharides (FOS), 10 arabino-oligosaccharides (AOS), and 7 others, were identified based on the precise relative molecular mass and fragment ion information provided by high-resolution mass spectrometry, in combination with standard comparison, monosaccharide composition analysis, and the relevant literature reports. All of those oligosaccharides were reported for the first time. These findings laid the foundation for the subsequent study of its medicinal substances and provided a theoretical basis for the more comprehensive development and utilization of PCH as a medicinal and edible product. Full article

Red yeast rice is a nutraceutical fermented product used worldwide for the symptomatic relief of dyslipidemia and cardiovascular disease. However, the fermentation-induced lipid transformation from rice to red yeast rice remains unclear. Herein, an ultra-high performance liquid chromatography coupled with hybrid quadrupole-orbitrap mass spectrometry method was developed for the comprehensive lipid analysis during fermentation. A total of 246 lipids fall in 21 subclasses were annotated in rice and red yeast rice, including 37 lysophospholipids, 14 phospholipids, 29 diglycerides, 114 triglycerides and fatty acid (15 species), ceramide (12 species), hexosylceramide (3 species), sitosterol ester (2 species), monogalactosyldiacylglycerol (2 species), digalactosyldiacylglycerol (2 species), monogalactosylmonoacylglycerol (8 species), digalactosylmonoacylglycerol (5 species), coenzyme Q (1 species), acyl hexosyl campesterol ester (1 species), and acylcarnitine (1 species). Results showed that lipid profiles changed, and new lipid species emerged. Notably, 18 medium- and long-chain triacylglycerols and triacylglycerols with short-chains were tentatively identified. These triacylglycerols also show the effects of body fat accumulation reduction, and hypolipidemic and hypoglycemic activities. Furthermore, lipid species that were profoundly changed were quantified, and the dynamic changes were investigated. This study clarified the molecular species and compositional changes in fermented rice from lipid aspect. Full article

Polygonatum cyrtonema Hua (PCH) belongs to the genus Polygonatum Mill of the Liliaceae family. As a traditional tonic herb, the rhizome of PCH has been widely used as a functional food and traditional Chinese medicine, mainly for the treatment of spleen and lung Qi deficiency, essence and blood deficiency, internal heat, and thirst. To further elucidate the unknown chemical composition of PCH, this study presents an analytical strategy using macroporous resin (D101) column chromatography combined with ultra-high-performance liquid chromatography-Q-Exactive Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap MS) for the characterization of PCH’s chemical composition. The PCH extracts were separated via D101 resin column chromatography in conjunction with reverse phase liquid chromatography (C18 column). They were then analyzed by Q-Exactive Orbitrap mass spectrometry utilizing parallel reaction monitoring (PRM) mode, diagnostic fragment ions (DFIs), and neutral loss (NL). A total of 153 compounds were identified through comparing the mass spectrometry data with standard references, the published literature, and public databases, including 40 alkaloids, 43 organic acids, 30 flavonoids, 17 saponins, and 23 other compounds; The result expands PCH’s chemical composition, enhancing our understanding of its therapeutic effects and quality assurance. At the same time, the strategy has the potential to show a wide range of applications in the chemical characterization of different samples. Full article

As a secondary metabolite with vigorous pharmacological activity (antitumor), prenylated flavonoids in Sophora flavescens (PFS) have great potential to be transformed into lead compounds. Its extraction has attracted more and more attention. Conventional organic solutions cannot selectively extract PFS and then need to carry out liquid–liquid extraction and multi-step column separation, which is time-consuming and pollutes the environment. This study found that [C₈mim]BF₄ had a high efficiency and selectivity for extracting PFS. Under the optimal extraction parameters, the yield of PFS was 7.38 mg/g. Based on UHPLC-Q-Orbitrap MS, 39 prenylated flavonoids were identified in PFS freeze-dried powder, which showed strong anti-tumor activity. In addition, the potential mechanism of selective extraction was analyzed in depth. [C₈mim]BF₄ synergy ultrasound destroys the cell wall structure, making the active components in the cell more easily exposed to the extraction solvent. The formation of more hydrogen bonds and van der Waals forces between [C₈mim]BF₄ and PFS accelerates the dissolution of PFS. Full article

Advanced glycation end products (AGEs) are produced in foods during their thermal treatment through routes like the Maillard reaction. They have been linked to various health issues such as diabetes, neurodegenerative disorders, and cardiovascular diseases. There are multiple pathways through which AGEs can form in foods and the body. Therefore, this review work aims to explore multiple formation pathways of AGEs to gain insights into their generation mechanisms. Furthermore, this review work has analyzed the recent trends in the detection and inhibition of AGEs in food matrices. It can be highlighted, based on the surveyed literature, that UHPLC-Orbitrap-Q-Exactive-MS and UPLC-ESI-MS/MS can produce highly sensitive results with a low limit of detection levels for AGEs in food matrices. Moreover, various works on inhibitory agents like spices, herbs, fruits, vegetables, hydrocolloids, plasma-activated water, and probiotic bacteria were assessed for their capacity to suppress the formation of AGEs in food products and simulation models. Overall, it is essential to decrease the occurrence of AGEs in food products, and future scope might include studying the interaction of macromolecular components in food products to minimize the production of AGEs without sacrificing the organoleptic qualities of processed foods. Full article

Background: The rapid development of refrigerated transportation technology for fresh vegetables has extended their shelf life. Some vegetables may appear undamaged on the surface, but their freshness may have decreased, often resulting in the phenomenon of passing off inferior vegetables as good. It is very important to establish a detection method for identifying and assessing the freshness of vegetables. Methods: Therefore, based on metabolomics methods, this study innovatively employed UHPLC-Q-Exactive Orbitrap MS and GC–MS techniques to investigate the metabolites in the refrigerated storage of four vegetables, namely chard (Beta vulgaris var. cicla L), lettuce (Lactuca sativa var. ramose Hort.), crown daisy (Glebionis coronaria (L.) Cass. ex Spach), and tomato (Solanum lycopersicum L.), exploring key biomarkers for assessing their freshness. UPLC-TQ MS was used for the quantitative analysis of key metabolites. Results: The results showed that arginine biosynthesis and the metabolism of alanine, aspartate, and glutamate are key pathways in vegetable metabolism. Four key metabolites were selected from chard, five from lettuce, three from crown daisy, and five from tomato. Conclusions: Comparing the content of substances such as alanine and arginine can help infer the freshness and nutritional value of the vegetables, providing important references for detecting spoilage, determining storage time, and improving transportation conditions. This research holds significant relevance for the vegetable transportation industry. Full article