Search Results (131)

Mango (Mangifera indica L.) processing generates peel and seed by-products with high potential for valorization as sources of phenolic-rich ingredients. In this study, peel and seed from four Ecuadorian cultivars were extracted by ultrasound-assisted hydroalcoholic extraction and characterized for total phenolics, phenolic profile by HPLC-ESI-QTOF, antioxidant capacity (DPPH and ABTS), and antimicrobial activity against food-relevant bacteria. A dynamic in vitro gastrointestinal digestion model was also applied to evaluate digestion-driven changes in phenolic-related measurements and antioxidant response, and to assess colonic fermentation outputs, including short-chain fatty acids and viable microbial populations. The results showed a strong dependence on cultivar and by-product type, with total phenolics ranging from 2562.35 to 6304.35 mg GAE/100 g in peels and 212.69 to 3006.48 mg GAE/100 g in seeds. LC–MS profiles were dominated by gallotannin-related compounds and phenolic acids. Extracts displayed antioxidant activity (DPPH: 221.97–456.31 mg Trolox/100 g in peels; 43.71–530.46 mg Trolox/100 g in seeds) and dose-dependent antibacterial effects, with inhibition at 700 mg/L reaching 87.57–94.75%. Digestion markedly modulated phenolic-related indices and fermentation-associated metabolites, with peel phenolics decreasing from 284.27 to 73.95 mg GAE/L and seed extracts increasing propionic acid production up to 55.46 mM. Overall, mango peel and seed are differentiated, cultivar-sensitive sources of bioactive extracts with antioxidant and antimicrobial functionality and measurable impacts on colonic fermentation, supporting their use as sustainable ingredients for circular-economy food and nutraceutical applications. Full article

Background: Shikonins are natural naphthoquinones that exhibit a range of biological activities. They are typically extracted using nonpolar solvents; however, green extraction approaches remain underexplored. Methods: Phytochemical profiling of E. vulgare root extracts was performed using HPLC-ESI-QTOF-MS/MS and quantitative analysis using HPLC-PDA. Shikonin extraction was performed using VNADESs based on thymol, camphor, menthol and benzyl alcohol. The feasibility of removing the VNADES from the extracts via freeze-drying was assessed. The cytotoxic, antioxidant, anti-inflammatory and antimicrobial activities of the hexane extract and the selected VNADES-based extract (TBa 2:8) were compared. Results: Eight shikonin derivatives were identified in the extracts. VNADES extracts contained comparable amounts of shikonin to hexane extracts; however, freeze-drying resulted in significant shikonin content loss. TBa 2:8 extract exhibited noticeably lower cytotoxicity than the hexane extract while its antioxidant potential depended on the assay applied. In contrast to the hexane extract, TBa 2:8 demonstrated the ability to reduce intracellular ROS and NO levels. However, the hexane extract exhibited stronger antimicrobial activity. Conclusions: VNADES systems enable efficient extraction of shikonin derivatives with performance comparable to hexane. Although the resulting extracts exhibit multidirectional biological activity, it remains challenging to remove the VNADESs effectively without losing the shikonins. Full article

Background/Objectives: Loquat (Eriobotrya japonica) is widely cultivated for its fruit, while its aerial by-products remain largely underexploited despite increasing interest in plant-derived bioactive compounds and sustainable food systems. This study comprehensively investigates and compares the phenolic composition and in vitro bioactivities of loquat leaves and flowers to support their potential valorisation as functional ingredients. Methods: Extractable and non-extractable polyphenolic fractions were obtained and quantified, and the extractable fraction was further characterised using HPLC-ESI-QTOF-MS. In vitro bioactivity assessment included antioxidant capacity (FRAP and ABTS), glucose dialysis retardation index, and α-glucosidase inhibition. Results: Flowers contained significantly higher levels of both extractable and non-extractable polyphenols than leaves. Qualitative and semi-quantitative phenolic profiling, including multivariate analysis, revealed clear compositional differences between the two organs. Flowers showed a higher relative abundance of phenolic acids, as well as the presence of several compounds absent in leaves, such as kaempferol, naringenin-3-O-glucoside, and three glycosilated anthocyanins. Flower-derived fractions exhibited consistently higher antioxidant activity across all phenolic fractions than leaf-derived fractions, in agreement with their greater polyphenol content. Regarding antidiabetic activity, leaf samples showed a modest capacity to delay glucose diffusion, whereas this effect was not observed in flowers. In contrast, flower extracts displayed a strong inhibitory effect against α-glucosidase, exceeding that of the reference inhibitor acarbose, while this activity was not detectable in leaf extracts under the experimental conditions. Conclusions: These findings support the revalorisation of loquat by-products, particularly flowers, as sustainable sources of bioactive compounds with potential applications in functional foods and health-related products. Full article

Background: In this study, we aimed to compare metabolomic profiles, biodistribution, and detoxification patterns of the novel SN-38 derivative NMe with irinotecan (IR), and to identify NMe-specific metabolites to evaluate its preclinical pharmacokinetic advantages. Methods: In vivo ADME studies were conducted for NMe, a 9-aminomethyl SN-38 derivative, and IR following a single intraperitoneal dose of 40 mg/kg in mice. Additionally, ADMET properties were predicted using ADMETlab and SwissADME tools for comparison. Levels of NMe and irinotecan absorbed into plasma, distributed to tissues, and metabolized were monitored in liver, lung, spleen, kidney, and stool samples at 15, 30, and 60 min post-administration. Tissue extracts were analysed using high-performance liquid chromatography (HPLC), liquid chromatography–electrospray ionization quadrupole time-of-flight-tandem mass spectrometry (LC-ESI-QTOF-MS), and nuclear magnetic resonance (NMR) techniques after lyophilization and reconstitution. We compared the metabolomic profiles of irinotecan and NMe. Results: We identified and confirmed NMe-specific metabolites, including 9-CH₂-S-cysteine conjugate, 9-CH₂OH, and NMe-formyl. Notably, novel irinotecan metabolites (IR-OH and IR-ΔE) were detected in small amounts in kidney samples. In some cases, two literature-known photodegradation products of irinotecan were present. NMe was found to quickly metabolize with different distribution to tissues, significantly greater to kidney and liver. Two SN-38 glucuronides, SN-38G(α) and SN-38G(β), were detected corresponding to α- and β-anomers. Where it was possible, NMe, IR and SN-38 were quantified using external calibration curves. In IR group, controlled and prolonged release of SN-38 was confirmed in all samples, yet SN-38G was observed in minority only in plasma, kidney, or lungs. In NMe groups, great relative amounts of SN-38 and SN-38G were detected. Greater content of SN-38G in NMe group than in irinotecan is expected to contribute to modulation and alleviation of some side effects in irinotecan-involved therapies, such as gastrointestinal toxicities (GIT). Conclusions: NMe shows a distinct metabolic profile characterized by rapid biotransformation, higher systemic glucuronidation of SN-38, and formation of unique metabolites, suggesting a potentially wider therapeutic window and reduced toxicity compared with IR. Full article

This study provides a phytochemical characterization of Sambucus nigra L. (elderflower) and correlates its chemical profile with anti-inflammatory bioactivity, establishing an optimized extraction methodology. A comparative analysis of ultrasound-assisted extraction (UAE), accelerated solvent extraction (ASE), and shaking maceration was conducted using solvents of varying polarity (ethanol, ethanol–water mixture (1:1, v/v), and water). High-resolution fingerprinting via HPLC-ESI-QTOF-MS/MS confirmed a rich polyphenolic profile, dominated by flavonoids such as rutin, naringenin, and phenolic acids, notably chlorogenic acid. Quantitative analysis revealed that UAE with ethanol–water mixture (1:1, v/v) for 20 min yielded the highest recovery of rutin (4.87%) and chlorogenic acid (8.22%). The anti-inflammatory potential was evaluated in TNFα-stimulated HaCaT NF-κB Luc reporter keratinocytes. Anhydrous ethanolic extracts demonstrated superior efficacy, significantly inhibiting NF-κB pathway activation at non-cytotoxic concentrations. Chemometric analysis, specifically PLS-DA, identified naringenin as a principal contributor to this observed anti-inflammatory effect. These findings underscore the critical role of solvent selection in modulating the phytochemical composition and resultant bioefficacy of elderflower extracts. The potent, naringenin-driven inhibition of NF-κB in keratinocytes highlights the significant therapeutic potential of optimized S. nigra extracts for applications in dermatological and cosmetic formulations aimed at managing inflammatory skin disorders. Full article

Background: Saffron (Crocus sativus L.) corms, often discarded as agricultural by-products, are a promising and sustainable source of bioactive metabolites with potential therapeutic relevance. However, their anticancer potential remains largely underinvestigated. Objectives: This study aimed to compare the phytochemical composition of hydroethanolic extracts from fresh (HEEF) and stored (HEES) saffron corms and to evaluate their anticancer effectiveness against colorectal cancer cells. Methods: Phytochemical profiling was performed using HPLC-ESI-QTOF-MS/MS. Cytotoxicity against T84 and SW480 colorectal cancer cell lines was determined by the crystal violet assay. Apoptosis-related protein modulation was assessed by Western blotting. Additionally, molecular docking, molecular dynamics simulations, and MM/GBSA calculations were used to investigate ligand–target binding affinities and stability. Results: Both extracts contained diverse primary and secondary metabolites, including phenolic acids, flavonoids, triterpenoids, lignans, anthraquinones, carotenoids, sugars, and fatty acids. HEES showed higher relative abundance of key bioactive metabolites than HEEF, which was enriched mainly in primary metabolites. HEES showed significantly greater dose-dependent cytotoxicity, particularly against SW480 cells after 24 h (IC₅₀ = 34.85 ± 3.35). Apoptosis induction was confirmed through increased expression of caspase-9 and p53 in T84 cells. In silico studies revealed strong and stable interactions of major metabolites, especially 3,8-dihydroxy-1-methylanthraquinone-2-carboxylic acid with COX2 and crocetin with VEGFR2. Conclusions: Stored saffron corms possess a richer bioactive profile and show enhanced anticancer effects in vitro compared with fresh saffron corms, suggesting that they may represent a promising source of compounds for the future development of colorectal cancer therapeutics. Full article

Background/Objectives: Pregnancy represents a unique physiological state marked by extensive metabolic adaptations, particularly in lipid pathways essential for maternal adjustments, fetal development, and postpartum recovery. This study aimed to explore these changes through untargeted lipidomic profiling. Methods: This observational, comparative, non-interventional clinical study included 107 women, of which 65 were in the third trimester of pregnancy (mean age 27.9 ± 5 years) and 42 were in the early postpartum period (≤7 days, mean age 28.9 ± 5.9 years). Inclusion criteria were singleton, term pregnancies (37–41 weeks) with neonates weighing > 2500 g and no associated pregnancy-related pathologies; exclusion criteria included multiple gestation, use of lipid-altering medications, maternal age > 40 years, or diagnosed pregnancy complications. Plasma samples were analyzed using High-Performance Liquid Chromatography–Quadrupole Time-Of-Flight–Electrospray Ionization (positive mode)–Mass Spectrometry, data were processed with MetaboAnalyst 6.0 using multivariate and univariate analyses (Partial Least Squares–Discriminant Analysis, Volcano Plot, Random Forest, Receiver Operating Characteristic analysis), with statistical significance set at p < 0.05. Results: Multivariate analysis demonstrated a clear separation between groups with high predictive accuracy as reflected by strong classification metrics (Accuracy = 0.90, R² = 0.75, Q² = 0.68). Several discriminative lipids were consistently identified across statistical models, including 2-Methoxyestrone (AUC = 0.861), Eicosanedioic acid (AUC = 0.854), and Pregnenolone sulfate (AUC = 0.843). These biomarkers were further categorized into five major lipid classes: steroid hormones, long-chain fatty acids, lysophospholipids, ceramides/sphingolipids, and glycerolipids. Conclusions: Untargeted lipidomic profiling revealed distinct metabolic signatures that differentiate late pregnancy from early post-partum states. The identification of robust lipid biomarkers with high discriminative performance highlights their potential utility in maternal health monitoring, obstetric risk assessment, and postpartum recovery surveillance. Full article

Muscari neglectum is a Mediterranean geophyte with a long tradition of ethnomedicinal use, yet the phytochemistry of its bulbs remains underexplored compared with aerial parts. This study aimed to characterise the metabolite profile of M. neglectum bulbs and to assess their antioxidant and radical scavenging potential, and anti-inflammatory potential. Bulb extracts were obtained by hydroethanolic extraction and analysed through HPLC-ESI-qTOF-MS, leading to the annotation of 72 compounds spanning diverse chemical families, including flavonoids, hydroxycinnamic acids, terpenoids, fatty acids, and triterpenoid saponins. Flavonoids constituted the most abundant group, with homoisoflavanones representing a characteristic class of metabolites in the Muscari genus and reflecting its distinctive secondary metabolism. Quantitative analyses revealed a high total phenolic content (65.5 mg GAE/g DE) and total flavonoid content (14.3 mg Epi/g DE). Antioxidant assays demonstrated measurable reducing power (FRAP: 0.26 mmol Fe²⁺/g DE; TEAC: 0.45 mmol TE/g DE), while radical scavenging assays indicated activity against superoxide anion (IC₅₀ = 848 mg/L) and hypochlorous acid (IC₅₀ = 9.2 mg/L). Additionally, the extract inhibited xanthine oxidase (IC₅₀ = 20.6 mg/L). Furthermore, the extract exhibited significant anti-inflammatory activity, effectively scavenging nitric oxide radicals (IC₅₀ = 78 ± 3 mg/L) and inhibiting lipoxygenase (IC₅₀ = 66 ± 2 mg/L), suggesting that phenolic compounds and triterpenoid saponins contribute to the modulation of oxidative and enzymatic inflammatory pathways. These findings highlight M. neglectum bulbs as a rich source of structurally diverse bioactive compounds with antioxidant and anti-inflammatory capacity. The results provide a chemical basis for their traditional use and reinforce the value of bulb-specific studies within the Asparagaceae family. Full article

Geum aleppicum Jacq. (yellow avens), a species traditionally used in folk medicine, remains understudied in the ethnopharmacological aspects. In this study, we comprehensively evaluated the phytochemical composition and biological activity of a hydroethanolic (50:50, v/v) extract from the aerial parts of G. aleppicum collected in Kazakhstan. Using the high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (HPLC-ESI-QTOF-MS/MS), we identified 24 compounds, predominantly phenolic acids, flavonoids, tannins, and triterpenoids. The major compound was ellagic acid (2.28 mg/g dry extract) as revealed by the reverse phase high-performance liquid chromatography–diode array detector (RP-HPLC-DAD). The extract exhibited a high polyphenol content (131.45 mg GAE/g) and strong antioxidant activity in Ferric Reducing Antioxidant Power (FRAP) assay and 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay (3.82 ± 0.07 mmol Fe²⁺/g and 106.61 ± 0.89 mg GAE/g, respectively). Antimicrobial assay of the extract revealed notable antifungal activity against Candida spp., especially against C. glabrata and C. tropicalis with minimum inhibitory concentration (MIC) of as low as 0.125 mg/mL, showing fungistatic effect. Although the extract inhibited the cytopathic effect induced by Human Herpesvirus 1 (HHV-1) in VERO cells, it did not significantly reduce viral replication. Moreover, among human cancer cell lines studied, the extract exerted moderate and selective cytotoxicity against A549 lung cancer cells (CC₅₀ = 75.51 µg/mL, SI = 9). These findings highlight G. aleppicum as a rich source of bioactive compounds, especially phenolics, supporting its potential for development of pharmaceutical and cosmetic applications. Full article

Macroalgae are often used to produce sodium alginate, but their by-products have not been fully utilized. This study aimed to optimize the extraction of bound polyphenols (BPs) from Macrocystis pyrifera (L.) residues, analyze the composition of free polyphenols (FPs) and BPs, and evaluate their antioxidant activities and ability to inhibit glycosidase activity. The optimal conditions for extracting BPs achieved by the response surface method were as follows: 50 °C, a solid–liquid ratio of 1:50, an alkaline hydrolysis time of 2.38 h, and a NaOH concentration of 8 mol/L. Polyphenol content determination results indicated that FPs had significantly higher total polyphenols (13.02 ± 0.05 μg GAE/mg) and phlorotannin (3.44 ± 0.04 μg PE/mg) than BPs (6.57 ± 0.07 μg GAE/mg and 1.32 ± 0.20 μg PE/mg). HPLC/ESI-QTOF-MS showed distinct profiles: FPs had one polyhydroxy phenol, nine flavonoids, and four additional compounds, whereas BPs had five flavonoids and four other compounds. Antioxidant activity was found to be higher in FPs than in BPs (DPPH: 3.03 vs. 1.79 μg TE/mg; FRAP: 19.40 vs. 7.43 μg TE/mg). Furthermore, FPs exhibited 4.59- and 11-fold higher inhibition capacity toward α-amylase and α-glucosidase, respectively, compared to BPs. The results provide valuable basic data for the application of macroalgae residues in the marine biological industry and reveal their potential hypoglycemic ability. Full article

The olive oil industry generates by-products like olive leaves and pomace, which are rich in bioactive compounds, especially polyphenols. This study applied a circular economy approach to valorize these residues using green ultrasound-assisted extraction (UAE) with GRAS solvents. Key parameters (solvent composition, ultrasound amplitude, and specific energy) were optimized via Response Surface Methodology (RSM) to enhance polyphenol recovery and yield. Ethanol concentration proved to be the most influential factor. Optimal conditions for olive pomace were 100% ethanol, 46 μm amplitude, and 25 J∙mL⁻¹ specific energy, while olive leaves required 72% ethanol with similar ultrasound settings. Under these conditions, extracts were prepared and analyzed using HPLC-ESI-QTOF-MS and DPPH assays. The optimized UAE process achieved yields of 15–20% in less than 5 min and under mild conditions. Optimal extracts showed high oleuropein content (6 mg/g in leaves, 5 mg/g in pomace), lower hydroxytyrosol levels, and minimal oxidized derivatives, suggesting reduced degradation compared to conventional methods. These findings demonstrate UAE’s effectiveness in recovering valuable phenolics from olive by-products, supporting sustainable and efficient resource use. Full article

The impact of exogenous melatonin treatment on the postharvest quality and storability of blue honeysuckle fruit was investigated. Fruits were immersed in melatonin solutions at concentrations of 0 (control), 0.01, 0.05, and 0.25 mM for 5 min and subsequently stored at –1 °C for 63 d. Among all treatments, the combination of two-week storage without fruit puncturing and 0.05 mM melatonin application significantly delayed fruit softening and decay even at the initial stage of storage, while also increasing the concentration of phenolic compounds and enhancing antioxidant activity. During the later storage period (28–63 d), melatonin-treated fruits maintained higher levels of maltose, fructose, and sucrose, contributing to improved flavor retention. In contrast, both lower (0.01 mM) and higher (0.25 mM) concentrations were less effective or even detrimental to fruit quality. HPLC-ESI-QTOF-MS² analysis revealed that 0.05 mM melatonin effectively preserved several functional phenolics, including p-coumaroylquinic acid, caffeoyl glucose, 5-O-caffeoylquinic acid, 3-O-caffeoylquinic acid, luteolin-7-O-glucoside, and hydroxytyrosol. Thus, 0.05 mM melatonin is effective in delaying senescence and maintaining the postharvest quality of blue honeysuckle fruit. Full article

Background/Objectives: The beneficial and multifaceted effects of Sideritis scardica Griseb. extracts are attributed to the presence of polyphenolic compounds, particularly phenolic acids. Methods: The research was carried out for S. scardica herb of different origins (Albania, Bulgaria, North Macedonia, and Türkiye). Identification of compounds was performed using the HPLC/ESI-QTOF-MS method; phenolic acids and flavonoids were determined spectrophotometrically. The antioxidant activity of methanol extracts from studied herbs was determined using the Folin–Ciocalteu, DPPH, and FRAP methods, and the antimicrobial activity was evaluated using the broth microdilution method in accordance with the guidelines of the European Committee on Antimicrobial Susceptibility Testing (EUCAST). Results: We demonstrated the presence 18–20 active compounds, depending on the origin of the raw material, with verbascoside being the predominant compound in all samples. The raw material was characterized by significant polyphenol content and high antioxidant activity. DPPH tests revealed the highest antioxidant activity, ranging from 86.5% to 87.9%, in samples from Bulgaria, North Macedonia, and Türkiye, and the latter showed the strongest antimicrobial activity, particularly against Gram-positive pathogens and Candida spp. Conclusions: This research is the first report comparing the chemical composition and biological activity of S. scardica raw material of different origins. Our findings indicate that S. scardica herb extracts have significant phytotherapeutic potential, although this varies depending on the origin of the raw material, and point to the need for further research on this plant material, particularly in terms of the level of active compounds and their possible synergistic effects with conventional drugs, as well as the need for standardization. Full article

In this study, water residue obtained from Salvia desoleana Atzei et Picci steam distillation was evaluated for its antioxidant activity in vitro using different experimental models. In particular, the study evaluated the antiradical and antioxidant activity of Salvia desoleana extracts using CUPRAC, FRAP, DPPH^•, and ABTS^•+ assays; and tested ROS scavenging activity in Caco-2 cell cultures. Phenolic compounds were identified by (HR) LC-ESI-QTOF MS/MS and quantified with HPLC-PDA. Furthermore, Keap1-Nrf2, iNOS, and NOX enzymes involved in oxidative stress and antioxidant defences were the targets of molecular docking on key polyphenols. Hydroxycinnamic acids and flavonoids are the most important classes of compounds detected in the extracts. Among these compounds, the most significant was rosmarinic acid, followed by caffeic acid, luteolin glucuronide, and methyl rosmarinate. Although all extracts have shown encouraging results, the ethanolic extract solubilised with water (SEtOHA) was the one with the highest hydroxycinnamic acid content and total phenol content (518.64 ± 5.82 mg/g dw and 106.02 ± 6.02 mg GAE/g dw), as well as the highest antioxidant and antiradical activity. The extracts have shown anti-inflammatory activity by inhibiting NO release in LPS-stimulated Caco-2 cells. Finally, the in silico evaluation against the three selected enzymes showed interesting results for both numerical affinity ranking and predicted ligand binding models. The outcome of this study suggests this by-product as a possible ally in counteracting oxidative stress, as established by its favourable antioxidant compound profile, thus suggesting an interesting future application as a nutraceutical. Full article

The dynamic development of various branches of medicine and pharmacy, along with the emergence of new preventive and alternative therapies for various diseases, creates opportunities for new solutions utilizing carriers of active substances. Their therapeutic effect may occur through direct contact with skin lesions or indirectly, where medicinal substances penetrate the capillary network in the deeper layers of the skin and reach the bloodstream. The aim of the research was to obtain carriers with a matrix consisting of two renewable-source polymers (chitosan and ethylcellulose) and a core material derived from Ginkgo biloba green leaf extract (GBE). The obtained ethylcellulose microcapsules with encapsulated chitosan nanoparticles with extract {Et[Ch(GB)NP]} were characterized with respect to size, shape, surface morphology (SEM microscopy), and active substance release kinetics (UV-VIS and mathematical release models). The kinetics of active substance release were analyzed using UV-VIS spectroscopy and mathematical release models. The released active components were assessed microbiologically for activity against six bacterial strains and two fungal strains, as well as chromatographically using HPLC-ESI-QTOF-MS/MS fingerprinting. The microcapsules with a dual polymer layer exhibited a slow release of the core material, which demonstrated microbiological activity. The strongest antimicrobial effects were observed against Klebsiella pneumoniae and Salmonella enteritidis, with a minimum inhibitory concentration (MIC) of 410 µg/mL. The release of the core material from the double-layer polymer structures was more efficient in a physiological saline environment, with the best fit for the extract release kinetics following a zero-order model (regression coefficient R² = 0.9939). The obtained microcapsules with a dual polymer layer show great potential for therapeutic applications in the medical industry. Their controlled release properties and antibacterial effectiveness make them a promising carrier for active substances in modern therapies. Full article