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Search Results (842)

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Keywords = LC-MS-ESI

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23 pages, 2241 KB  
Article
Potato (Solanum tuberosum L., cv. Spunta) Peels Promote the Production of Broad Spectrum Antibacterial Chemicals by Bacillus velezensis B38
by Malek Gharbi, Dorra Gharbi, Ines Karkouch, Abel M. Forero, Jaime Rodríguez, Manel Chaouachi, Takwa Marzouk, Asma Bachali, Carlos Jiménez and Olfa Tabbene
Molecules 2026, 31(16), 2747; https://doi.org/10.3390/molecules31162747 - 7 Aug 2026
Viewed by 247
Abstract
Potato peel waste (PPW) represents a low-cost and eco-friendly by-product with potential for use as a fermentation substrate for the production of antibacterial metabolites by Bacillus species. This study evaluated PPW as a fermentation matrix for Bacillus velezensis and demonstrated that 2% PPW [...] Read more.
Potato peel waste (PPW) represents a low-cost and eco-friendly by-product with potential for use as a fermentation substrate for the production of antibacterial metabolites by Bacillus species. This study evaluated PPW as a fermentation matrix for Bacillus velezensis and demonstrated that 2% PPW supported optimal production of antibacterial compounds. The cell-free supernatant obtained after 96 h of fermentation exhibited the strongest activity against E. coli 18/22, with a MIC of 62.5 µg/mL. The ethyl acetate extract exhibited rapid bactericidal activity, killing E. coli 18/22 within 30 min at 2× MIC and within 120 min at MIC. The antibacterial activity remained stable up to 80 °C, across pH 4–12, and after treatment with pepsin and chymotrypsin. LC/HR-ESI-MS analysis identified oxydifficidin and surfactins C14 and C15 as the main active compounds. Molecular docking revealed that oxydifficidin and surfactin C15 exhibited the strongest binding affinity toward Shiga toxin II, while surfactin C14 displayed a weaker interaction, suggesting the role of acyl chain length in toxin binding. Both oxydifficidin and surfactins interacted with key residues within the catalytic pocket of the AcrB subunit of the AcrAB–TolC multidrug efflux pump, indicating potential inhibition of multidrug resistance mechanisms. To our knowledge, this is the first report describing the use of PPW as a fermentation substrate for Bacillus velezensis B38 to produce oxydifficidin and surfactin C14 and C15 exhibiting antimicrobial activity against multidrug-resistant E. coli. These findings provide a promising strategy for transforming agro-industrial waste into value-added antimicrobial metabolites, contributing to the circular bioeconomy strategies within the One Health framework. Full article
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27 pages, 8268 KB  
Article
Combined Omeprazole and Glycyrrhiza glabra L. Extract Attenuate Ethanol-Induced Gastric Ulceration Through Modulation of TLR4/NF-κB/NLRP3 Signaling and Upregulation of PI3K/AKT/mTOR Gene Expression
by Sahar Khateeb, Mody Albalawi, Amnah Obidan, Fahad M. Almutairi, Hanan Abdulrahman Sagini and Eman F. S. Taha
Int. J. Mol. Sci. 2026, 27(15), 7037; https://doi.org/10.3390/ijms27157037 - 5 Aug 2026
Viewed by 191
Abstract
Ethanol (EtOH)-induced gastric ulcer (GU) is a common model used to investigate mechanisms of mucosal injury and repair. Omeprazole (OMP) is a conventional anti-ulcer drug that effectively suppresses gastric acid secretion, but its efficacy may be enhanced by combining it with bioactive phytochemicals [...] Read more.
Ethanol (EtOH)-induced gastric ulcer (GU) is a common model used to investigate mechanisms of mucosal injury and repair. Omeprazole (OMP) is a conventional anti-ulcer drug that effectively suppresses gastric acid secretion, but its efficacy may be enhanced by combining it with bioactive phytochemicals derived from a Glycyrrhiza glabra L. (licorice; LIQ) extract that possess potent antioxidant and anti-inflammatory properties. The aim of the present study was to evaluate the gastroprotective effects of OMP, LIQ extract, and their combined treatment against EtOH-induced GU in rats, focusing on modulation of TLR4/NF-κB/NLRP3 signaling and PI3K/AKT/mTOR gene expression. The ethanolic extract of LIQ was chemically characterized by LC-ESI-QTOF-MS/MS, and molecular docking was performed to evaluate the potential binding interactions of its major constituents with H+/K+-ATPase and COX-2. Thirty male Wistar rats were randomly allocated into control, ulcer (ULC), OMP-treated, LIQ-treated, and combined treatment groups. GU was induced by absolute EtOH. Subsequently, gastric pH, stomach coefficient, oxidative stress, inflammatory mediators, and PI3K, AKT, and mTOR gene expression were assessed. Histopathological and immunohistochemical analyses of mucosal architecture and the expression of TNF-α, caspase-3, and PCNA were performed. Coadministration of OMP and LIQ demonstrated the greatest gastroprotective activity, marked by a significant increase in gastric pH, restoration of antioxidant status, and substantial reduction in ROS, TLR4, NF-κB, and NLRP3 levels. The combined therapy significantly upregulated the expression of PI3K, AKT, and mTOR genes in comparison to ULC. Histopathological and immunohistochemical findings further demonstrated preservation of gastric mucosal integrity, reduced inflammatory cell infiltration, and decreased TNF-α, caspase-3, and PCNA immunoreactivity, indicating attenuation of mucosal injury. In conclusion, LIQ extract enhanced the gastroprotective effect of OMP against EtOH-induced GU, supporting its potential as an adjunct to OMP. Further studies are warranted to confirm the underlying molecular mechanisms. Full article
(This article belongs to the Section Biochemistry)
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16 pages, 729 KB  
Article
Plasma Metabolic Features Associated with Developmental Regression in Autism Spectrum Disorder: A Pilot Untargeted Metabolomics Study
by Cihan Aslan, Ozan Kaplan, Nadir Yalçın, Bilge Başak Fidan, Mustafa Çelebier, Dilek Ünal and Karel Allegaert
Int. J. Mol. Sci. 2026, 27(15), 6995; https://doi.org/10.3390/ijms27156995 - 4 Aug 2026
Viewed by 461
Abstract
Developmental regression, the loss of previously acquired language and social skills during the second year of life, affects 20–40% of children with autism spectrum disorder (ASD), yet its metabolic underpinnings remain poorly defined. Existing metabolomics studies have focused on amino acid and acylcarnitine [...] Read more.
Developmental regression, the loss of previously acquired language and social skills during the second year of life, affects 20–40% of children with autism spectrum disorder (ASD), yet its metabolic underpinnings remain poorly defined. Existing metabolomics studies have focused on amino acid and acylcarnitine alterations, leaving the eicosanoid, sphingolipid, and glycoconjugate axes largely unexamined. Plasma from 25 children with regressive ASD (REG+), 27 with non-regressive ASD (REG−), and 21 typically developing controls (aged 2–6 years) was profiled using untargeted Q-TOF LC/MS (Agilent 6530, ESI+ mode, 100–1700 m/z). From 6657 detected features, a stepwise curation pipeline combining statistical significance (raw p < 0.05 with Benjamini–Hochberg FDR correction, q < 0.05; FC > 1.5), analytical plausibility, endogenous origin verification, and literature-based directional alignment yielded a prioritized set of 14 annotated metabolic features. Exploratory PLS-DA (Partial Least-Squares Discriminant Analysis) visualization showed separation among the three groups within the present dataset; however, diagnostic or predictive performance was not evaluated. The 14-feature panel clustered along four biochemical axes. A feature putatively annotated as prostaglandin E3 (PGE3) showed a 7.13-fold reduction in REG+ versus controls (1.58-fold in REG−; FC REG+/REG− = 4.52). N-Acetylneuraminosyl-(α2-6)lactosamine and aspartylglycosamine were decreased 4.44-fold and 5.42-fold in REG+, respectively, with regression-specific amplification (FC REG+/REG− > 2.0). Six sphingolipid–myelin metabolites showed coordinated biosynthetic depletion and catabolic elevation in both ASD groups without regression specificity. DHEA-S exhibited the largest subgroup differential (FC REG+/REG− = 8.89), with paradoxically greater depletion in the non-regressive group. This exploratory study identified several plasma metabolic features showing abundance differences among children with REG+, REG−, and typically developing controls. These findings are hypothesis-generating and require confirmation using authenticated standards, targeted quantitative methods, and independently recruited cohorts before any diagnostic, predictive, or therapeutic relevance can be established. Full article
(This article belongs to the Special Issue Omics Science and Research in Human Health and Disease)
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17 pages, 1145 KB  
Article
Dietary Risk of Neonicotinoids and Other Pesticides in Mexican Children Residing in Agroindustrial Zones
by Irma Aidé García Villegas, Silvia Lizette Ramos de Robles and Claudia Alvarado Osuna
Int. J. Environ. Res. Public Health 2026, 23(8), 1009; https://doi.org/10.3390/ijerph23081009 - 1 Aug 2026
Viewed by 298
Abstract
Dietary pesticide exposure is a growing public health concern, particularly for children in agricultural regions. This study assessed the occurrence and concentration of neonicotinoids and other pesticide residues in foods frequently consumed by preschool children (4–5 years) in an agroindustrial zone of Jalisco, [...] Read more.
Dietary pesticide exposure is a growing public health concern, particularly for children in agricultural regions. This study assessed the occurrence and concentration of neonicotinoids and other pesticide residues in foods frequently consumed by preschool children (4–5 years) in an agroindustrial zone of Jalisco, Mexico, and estimated their weekly dietary exposure (DE). Thirty-one food samples representing 18 items were collected from retail sites identified through seven-day dietary records completed by 23 families. Samples were analyzed by LC/ESI-MS/MS covering 236 compounds; exposure was estimated considering raw and cooked consumption patterns and processing factors. Residues were detected in 87% of samples, yielding 34 distinct compounds, including 5 neonicotinoids; imidacloprid was the most frequently detected. Strawberry, raspberry, apple, grape, and tomato showed the highest residue loads; seven samples exceeded MRLs set by the EU, USA, or Mexico. Raw food consumption accounted for 96% of total estimated exposure, with pyrimethanil, boscalid, propamocarb, and imidacloprid as principal contributors. These findings confirm that children in this population face repeated, simultaneous exposure to multiple pesticides through diet, underscoring the need for stronger food safety monitoring, harmonized regulatory limits, and cumulative risk assessment frameworks for vulnerable populations. Full article
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22 pages, 2105 KB  
Review
Mass Spectrometry-Based Metabolomic Aging Clocks: Analytical Workflows, Metabolite Signatures, and Clinical Perspectives
by Dmitry Chistyakov, Andrey Samokhin, Vladislav Gorbatenko, Vasiliy Vasil’ev, Maksim Donnikov, Anna Morozkina, Tatiana Sinyukova, Lyudmila Kovalenko and Marina Sergeeva
Analytica 2026, 7(3), 50; https://doi.org/10.3390/analytica7030050 - 30 Jul 2026
Viewed by 285
Abstract
Metabolomic aging clocks—quantitative models that estimate biological age based on small-molecule profiles in biological fluids—have become dynamic tools for assessing individual aging trajectories and predicting the risk of age-related diseases. Although NMR-based approaches have been previously reviewed, the analytical landscape of mass spectrometry [...] Read more.
Metabolomic aging clocks—quantitative models that estimate biological age based on small-molecule profiles in biological fluids—have become dynamic tools for assessing individual aging trajectories and predicting the risk of age-related diseases. Although NMR-based approaches have been previously reviewed, the analytical landscape of mass spectrometry (MS)-based metabolomic clocks has not been systematically assessed. This review examines the key components of the MS-based analytical workflow underlying the development of metabolomic aging clocks, including biological matrix selection, chromatographic separation strategies, MS instrumentation, data preprocessing, metabolite annotation, and machine learning-based modeling approaches. Twelve published studies on MS-based metabolomic clocks were identified and systematically compared. These clocks provide predictions of chronological age with mean absolute errors of 3.5–10 years and demonstrate robust associations between metabolomic age acceleration and cardiometabolic risk, frailty, and mortality. Recurrent age-related metabolite classes include tryptophan–kynurenine pathway metabolites, acylcarnitines, sphingolipids, modified nucleosides, and tricarboxylic acid (TCA) cycle intermediates. Currently, liquid chromatography with electrospray ionization (LC-ESI) coupled to high-resolution QTOF or Orbitrap instruments dominates current workflows, with elastic net regression being the most commonly applied modeling strategy. Significant heterogeneity in analytical conditions, incomplete methodological descriptions, and limited cross-study validation remain key obstacles to clinical application. Standardization of pre-analytical protocols, the use of certified reference materials, and harmonized validation frameworks are identified as critical priorities for advancing mass spectrometry-based metabolomic clocks toward clinical translation. Full article
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20 pages, 3571 KB  
Article
Concentration- and Sequence-Dependent MRI Signal Intensity Behavior of Ilex paraguariensis Aqueous Extract in MRCP-like Sequences: A Preclinical Phantom Study
by Mario J. Noh-Burgos, Juan B. Chalé-Dzul, Leticia Olivera-Castillo, César Puerto-Castillo, Nina Méndez-Domínguez and Rosa E. Moo-Puc
J. Imaging 2026, 12(7), 313; https://doi.org/10.3390/jimaging12070313 - 10 Jul 2026
Viewed by 734
Abstract
Magnetic resonance cholangiopancreatography (MRCP) is widely used for biliopancreatic imaging; however, hyperintense gastrointestinal fluids in heavily T2-weighted sequences may interfere with visualization of the biliary and pancreatic ducts. Natural manganese-containing beverages have been investigated in MRCP-related imaging contexts, and yerba mate (Ilex [...] Read more.
Magnetic resonance cholangiopancreatography (MRCP) is widely used for biliopancreatic imaging; however, hyperintense gastrointestinal fluids in heavily T2-weighted sequences may interfere with visualization of the biliary and pancreatic ducts. Natural manganese-containing beverages have been investigated in MRCP-related imaging contexts, and yerba mate (Ilex paraguariensis A. St.-Hil.) has been studied to this end. However, its concentration- and sequence-dependent signal behavior under MRCP-like phantom conditions remains insufficiently characterized. This preclinical phantom study evaluated the concentration- and sequence-dependent MRI signal intensity behavior of an aqueous extract of Ilex paraguariensis. The extract was characterized by means of elemental analysis, total manganese and iron quantification, total phenolic content, antioxidant capacity, and LC-ESI-MS analysis. MRI phantom experiments were run at different extract concentrations using T1-weighted, T2-weighted, and single-shot turbo spin echo (SSHTSE) sequences. The dried extract contained 1.22 ± 0.04 mg/g total manganese and 0.40 ± 0.01 mg/g total iron. Calculated total Mn concentrations in phantom dilutions ranged from 0.06 to 0.97 mg/dL. The extract showed concentration- and sequence-dependent signal behavior, with T1-weighted signal enhancement and progressive signal suppression in T2-weighted and SSHTSE sequences. No T1/T2 mapping or r1/r2 relaxivity measurements were performed. LC-ESI-MS identified MS1-based putatively assigned phenolic features without MS/MS confirmation of extract peaks. Ilex paraguariensis aqueous extract showed preliminary concentration- and sequence-dependent MRI signal intensity changes under phantom conditions, including signal suppression in MRCP-like heavily T2-weighted sequences. These findings do not establish clinical applicability, safety, tolerability, comparative efficacy, or improved duct visualization. Further studies are needed, incorporating relaxometric measurements, comparator agents, formulation assessment, in vivo evaluation, and clinical validation. Full article
(This article belongs to the Section Medical Imaging)
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15 pages, 644 KB  
Article
Phenolic Profiles, Antioxidant Capacity, and Enzyme Inhibitory Activities of Helichrysum noeanum: A Natural Source of Multifunctional Bioactive Compounds
by Elif Aktürk Bozdemir
Molecules 2026, 31(13), 2390; https://doi.org/10.3390/molecules31132390 - 7 Jul 2026
Viewed by 417
Abstract
Natural bioactive compounds with antioxidant properties and associated biological activities are increasingly valued for food and nutraceutical applications. This study investigated the organ-specific phenolic composition, antioxidant capacity, and enzyme inhibitory activities of Helichrysum noeanum to evaluate its potential as a multifunctional source of [...] Read more.
Natural bioactive compounds with antioxidant properties and associated biological activities are increasingly valued for food and nutraceutical applications. This study investigated the organ-specific phenolic composition, antioxidant capacity, and enzyme inhibitory activities of Helichrysum noeanum to evaluate its potential as a multifunctional source of such compounds. Methanolic extracts from flowers, leaves, stems, and roots were analyzed for total phenolics, flavonoids, and individual compounds using LC–ESI–MS/MS, alongside antioxidant and enzyme inhibitory activities. Leaves showed the highest phenolic content (87.23 mg GAEs/g extract) and strongest antioxidant capacity (RACI = 1.19), dominated by chlorogenic acid. Roots showed the highest concentrations of caffeic and ferulic acids, while stems contained benzoic acid derivatives and quercetin. Leaf extracts exhibited the most potent reducing and radical-scavenging activities, whereas roots and stems were superior in cholinesterase and α-amylase inhibition. Correlation analysis suggested that antioxidant responses were more closely associated with total phenolic content than with total flavonoid content, whereas enzyme inhibitory activities exhibited organ-dependent variation. Overall, H. noeanum represents an organ-specific source of bioactive compounds with potential relevance for nutraceutical and food-related applications. Full article
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25 pages, 5085 KB  
Article
Estimated Habitual Dairy Polar Lipid Exposure and Post-Intervention Plasma Lipid Outcomes in Perimenopausal Women in Latvia: A Secondary Exposure-Based Analysis of a 28-Day Fermented Buttermilk Randomised Trial
by Svetlana Aleksejeva, Vitalijs Radenkovs, Maksims Zolovs, Ilona Vilkoite, Laila Meija and Inga Ciprovica
Nutrients 2026, 18(13), 2194; https://doi.org/10.3390/nu18132194 - 6 Jul 2026
Viewed by 384
Abstract
Background/Objectives: Hormonal changes during the perimenopausal period are linked to alterations in lipid metabolism and increased cardiovascular disease risk. Dairy polar lipids (PLs), including phosphatidylcholine (PC), phosphatidylethanolamine (PE), and sphingomyelin (SM), have attracted growing interest for their potential effects on intestinal cholesterol absorption, [...] Read more.
Background/Objectives: Hormonal changes during the perimenopausal period are linked to alterations in lipid metabolism and increased cardiovascular disease risk. Dairy polar lipids (PLs), including phosphatidylcholine (PC), phosphatidylethanolamine (PE), and sphingomyelin (SM), have attracted growing interest for their potential effects on intestinal cholesterol absorption, lipoprotein metabolism, and circulating lipid concentrations. However, evidence on habitual dietary exposure to naturally occurring dairy PLs remains limited. The aim of the present study was to estimate habitual dietary exposure to dairy PLs by integrating season-specific dairy product composition with individual dietary intake data, and to examine whether this estimated exposure was associated with post-intervention plasma lipid outcomes in perimenopausal women in Latvia. Methods: The analysis included 61 perimenopausal women, comprising an intervention group (n = 31) and a control group (n = 30), who were further stratified into winter and spring cohorts. The intervention group consumed 250 mL day−1 of fermented buttermilk for 28 days. Dietary intake was assessed using a food frequency questionnaire (FFQ). Season-specific concentrations of total PL, PC, PE, and SM were quantified in locally produced dairy products using LC-ESI-MRM-TQ-MS/MS and integrated with individual dietary intake data to estimate dairy PL exposure. Multivariable linear regression models were adjusted for baseline lipid concentrations, intervention group, season, and total dairy PL intake. Results: Estimated total dairy PL intake was positively associated with post-intervention HDL-C concentrations in the adjusted models (β = 0.059; 95% CI: 0.020–0.099), whereas no statistically significant associations were observed for total cholesterol (TC), low-density lipoprotein cholesterol (LDL-C), or triglycerides (TGs). After adjustment for baseline lipid concentrations, season, and estimated total dairy PL intake, intervention-group allocation was associated with higher post-intervention TC (β = 0.485; 95% CI: 0.023–0.948) and LDL-C (β = 0.330; 95% CI: 0.024–0.636) than in the control group. The spring-versus-winter season indicator was not independently associated with lipid outcomes. Conclusions: Estimated habitual dairy PL exposure was positively associated with post-intervention HDL-C concentrations but not with TC, LDL-C, or TGs. These findings do not support a clear lipid-lowering effect of the 28-day fermented buttermilk intervention in this secondary, exposure-based analysis. The results should be interpreted with caution, as dairy PL exposure was estimated from FFQ-derived intake data and season-specific product composition rather than measured directly. This trial was retrospectively registered in the ISRCTN registry ISRCTN11974930, registered on 25 June 2026. Full article
(This article belongs to the Section Nutrition in Women)
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18 pages, 1496 KB  
Article
Organ-Specific Targeted Phenolic Profiling, Antioxidant, and Enzyme-Inhibitory Activities of the Gypsophilous Endemic Hedysarum pestalozzae
by Elif Aktürk Bozdemir
Molecules 2026, 31(13), 2371; https://doi.org/10.3390/molecules31132371 - 6 Jul 2026
Viewed by 390
Abstract
The present study provides an integrative, targeted phenolic–bioactivity mapping of Hedysarum pestalozzae Boiss., an endemic Fabaceae species from gypsum habitats of Türkiye. Methanolic extracts of flowers, leaves, stems, and roots were comparatively evaluated for their phenolic profiles, antioxidant potentials, and enzyme inhibitory effects. [...] Read more.
The present study provides an integrative, targeted phenolic–bioactivity mapping of Hedysarum pestalozzae Boiss., an endemic Fabaceae species from gypsum habitats of Türkiye. Methanolic extracts of flowers, leaves, stems, and roots were comparatively evaluated for their phenolic profiles, antioxidant potentials, and enzyme inhibitory effects. Targeted LC–ESI–MS/MS analysis of selected phenolics revealed organ-dependent chemical profiles, with flowers exhibiting the highest accumulation of flavonols—hyperoside, kaempferol, quercetin—and phenolic acids such as protocatechuic acid, together with the flavanone glycoside hesperidin, while stems and roots were enriched in catechin, verbascoside, vanillin, and eriodictyol. The antioxidant capacities, assessed through multiple assays (CUPRAC, FRAP, DPPH, ABTS, metal chelation), were integrated using the Relative Antioxidant Capacity Index (RACI), ranking flowers as the most active organ, followed by roots, leaves, and stems. Correlation analysis demonstrated strong positive associations between phenolic abundance and electron-transfer assays, whereas metal chelation showed inverse trends, suggesting distinct antioxidant mechanisms. All extracts exhibited moderate inhibition against cholinesterases, tyrosinase, α-amylase, and α-glucosidase, implying multifunctional enzyme-modulating potential. The root extract showed the highest cholinesterase inhibition, and leaf extract was most effective against α-amylase. These findings indicate that H. pestalozzae exhibits organ-dependent chemical diversity and a broad range of biological activities. The present study provides preliminary evidence that H. pestalozzae may represent a promising source of bioactive compounds for future phytochemical and biological investigations, warranting further bioassay-guided fractionation, compound isolation, cellular studies, and in vivo validation. Full article
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21 pages, 5380 KB  
Article
Acute Toxicity of Three Synthetic Cannabinoids: First In Vivo Preclinical Study
by Silviu-Iulian Filipiuc, Carmen Solcan, Bogdan-Ionel Tamba, Leontina-Elena Filipiuc, Veronica Bild, Daniela-Carmen Ababei, Gabriela-Dumitrița Stanciu, Maria-Raluca Gogu, Cristina-Mariana Uritu, Cezar Ilie Foia and Walther Bild
Molecules 2026, 31(13), 2365; https://doi.org/10.3390/molecules31132365 - 5 Jul 2026
Viewed by 531
Abstract
Background and Objectives: Synthetic cannabinoids (SCs) are new psychoactive substances associated with acute intoxications. Experimental data obtained under controlled and comparable conditions remain limited for this category of compounds. This descriptive, hypothesis-generating screening study aimed to characterize the acute toxicity profile of three [...] Read more.
Background and Objectives: Synthetic cannabinoids (SCs) are new psychoactive substances associated with acute intoxications. Experimental data obtained under controlled and comparable conditions remain limited for this category of compounds. This descriptive, hypothesis-generating screening study aimed to characterize the acute toxicity profile of three SCs, JWH-007, AM-694, and MAB-CHMINACA. Materials and Methods: Acute toxicity was evaluated in female Swiss Albino mice, in accordance with the OECD 423 guideline, following oral and intraperitoneal administration. Animals were monitored for 14 days for behavioral and clinical signs of toxicity. At the end, histopathological examination was performed to describe organ-level changes. Serum concentrations of the tested compounds were quantified by LC-ESI-MS/MS 24 h after intraperitoneal administration. Results: The three compounds were associated with distinct behavioral, clinical, and histopathological observations. JWH-007 was associated with transient behavioral depression and histopathological changes in peripheral organs. AM-694 was associated with histopathological changes in systemic organs and limited behavioral manifestations. MAB-CHMINACA was associated with acute behavioral toxicity and central nervous system lesions, including neuronal vacuolization, necrosis, oedema, and inflammatory changes. Conclusions: These preliminary findings describe compound-specific in vivo toxicity patterns and may inform the design of future confirmatory studies on SCs’ toxicity. The observed behavioral and histopathological changes should be interpreted as hypothesis-generating and require statistical validation before conclusions can be drawn regarding comparative toxicity, structural class effects, or predictive value for risk stratification. Full article
(This article belongs to the Special Issue The Role of Cannabinoids in Human Health)
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25 pages, 3191 KB  
Article
Antinociceptive Activity of Petiveria alliacea L. Extract via GABAergic and Serotonergic Pathways in Diabetic Neuropathy Model
by Kelly del C. Cruz-Salomón, Alfredo Briones-Aranda, Abumalé Cruz-Salomón, Nancy Ruiz-Lau, Mariano Martínez-Vázquez, Joaquín A. Montes-Molina, Gerardo Leyva-Padrón, Josue V. Espinosa-Juárez and Rosa I. Cruz-Rodríguez
Sci. Pharm. 2026, 94(3), 54; https://doi.org/10.3390/scipharm94030054 - 2 Jul 2026
Viewed by 625
Abstract
Petiveria alliacea L. (commonly known as “anamu,” “guiné,” “hierba de zorro,” and “tipi”) has been widely used in Mesoamerican traditional medicine to treat pain and inflammation. However, scientific evidence supporting its efficacy in diabetic neuropathy remains limited. This study evaluated the antinociceptive potential [...] Read more.
Petiveria alliacea L. (commonly known as “anamu,” “guiné,” “hierba de zorro,” and “tipi”) has been widely used in Mesoamerican traditional medicine to treat pain and inflammation. However, scientific evidence supporting its efficacy in diabetic neuropathy remains limited. This study evaluated the antinociceptive potential of a methanolic leaf extract of P. alliacea in a murine model of alloxan-induced diabetic neuropathy and investigated its possible mechanisms of action. Diabetic CD-1 mice were evaluated for mechanical allodynia and hyperalgesia using the Von Frey test and for tonic pain using the formalin test. Pharmacological antagonists were administered to assess the involvement of opioid, nitric oxide, serotonergic, and GABAergic pathways. Phytochemical profiling was performed by LC-ESI-MS/MS, and potential pharmacological and pharmacokinetic properties of the identified metabolites were predicted using in silico tools (PASS online, SwissTargetPrediction, SwissADME, and pkCSM). The methanolic extract significantly reduced mechanical allodynia and hyperalgesia in diabetic mice and attenuated nociceptive responses in both phases of the formalin test, showing an effect comparable to gabapentin. Antinociceptive activity was not altered by naloxone or L-NAME but was significantly attenuated by methiothepin and bicuculline, suggesting that serotonergic and GABAergic pathways contribute, at least in part, to the observed antinociceptive effects. LC-ESI-MS/MS analysis identified 38 metabolites, including flavonoids, alkaloids, and terpenes, with in silico predictions supporting their potential analgesic and anti-inflammatory activities. The methanolic leaf extract of P. alliacea exhibits significant antinociceptive activity in diabetic neuropathy, partially likely to involve serotonergic and GABAergic mechanisms, supporting its ethnomedicinal use and its potential as a source of novel analgesic agents. Full article
(This article belongs to the Topic Natural Products and Drug Discovery—2nd Edition)
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18 pages, 2012 KB  
Article
Saponin-Enriched Fraction of Sarcomphalus joazeiro: Chemical Characterization, Silver Nanoparticle Synthesis, and Their Mutual Antibiotic-Modifying Potential
by Natália Kelly Gomes de Carvalho, Mariana Pereira da Silva, Débora Odília Duarte Leite, Fazia Fernandes Galvão Rodrigues, Joice Barbosa do Nascimento, Milena Lima Guimarães, Helinando Pequeno de Oliveira, Lucicléia Barros de Vasconcelos, Maryana Melo Frota, Josean Fechine Tavares, Thiago Araújo de Medeiros Brito, Fabiola Fernandes Galvão Rodrigues and José Galberto Martins da Costa
Chemistry 2026, 8(7), 92; https://doi.org/10.3390/chemistry8070092 - 1 Jul 2026
Viewed by 439
Abstract
Antibiotic resistance has emerged as a major global health challenge, underscoring the urgent need for alternative therapeutic strategies capable of enhancing the efficacy of existing antibiotics. In this context, saponin-based nanomaterials have attracted considerable attention due to their potential as antibiotic-modulating systems. This [...] Read more.
Antibiotic resistance has emerged as a major global health challenge, underscoring the urgent need for alternative therapeutic strategies capable of enhancing the efficacy of existing antibiotics. In this context, saponin-based nanomaterials have attracted considerable attention due to their potential as antibiotic-modulating systems. This study investigated a saponin-enriched fraction obtained from the bark of Sarcomphalus joazeiro Mart. (SEF-4), its application in the green synthesis of silver nanoparticles, and the antibiotic-modulating potential of the resulting nanoformulation. SEF-4 was obtained from the ethanolic bark extract through liquid–liquid partitioning (52% yield), followed by column chromatographic purification and chemical characterization using LC-ESI-QTOF-MS. The purified fraction was subsequently employed as both a reducing and stabilizing agent for the synthesis of silver nanoparticles (putative AgNP-SEF-4), which were physicochemically characterized. Antibacterial activity and antibiotic-modulating effects were evaluated using the broth microdilution method against standard and multidrug-resistant bacterial strains. LC-ESI-QTOF-MS analysis enabled the putative identification of five jujubogenin-type triterpenoid saponins bearing tetra-, penta-, and hexasaccharide moieties with distinct glycosylation profiles; however, the precise sugar sequence, monosaccharide composition, and glycosidic linkage positions remain to be confirmed through complementary NMR and hydrolysis studies. Although neither SEF-4 nor putative AgNP-SEF-4 displayed clinically relevant intrinsic antibacterial activity, the nanoformulation significantly enhanced the activity of aminoglycoside antibiotics. The most pronounced modulatory effects were observed against Klebsiella pneumoniae ATCC 1705 in combination with amikacin and against both standard and multidrug-resistant Escherichia coli strains when combined with gentamicin or amikacin. These findings highlight the potential of putative AgNP-SEF-4 as an antibiotic adjuvant capable of potentiating aminoglycoside efficacy and increasing bacterial susceptibility, including in multidrug-resistant strains. Full article
(This article belongs to the Section Chemistry of Natural Products and Biomolecules)
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17 pages, 2088 KB  
Article
Rapid LC–MS Quantification of mRNA Vaccine Capping Efficiency via High-Specificity RNase H Cleavage and Metal Adduct Suppressed Chromatography
by Ren Yang, Xiaohong Wu, Xiaowei Zhang, Shengqing Fu, Kaiping Gu, Zhe Lv, Xiaoli Li and Qunying Mao
Vaccines 2026, 14(7), 581; https://doi.org/10.3390/vaccines14070581 - 30 Jun 2026
Viewed by 544
Abstract
Background: The m7G cap structure, which mimics the natural cap of eukaryotic mRNA, is a critical determinant of mRNA vaccine efficacy, safety, and stability. However, its precise quantification remains challenging due to complex impurity profiles and the high physicochemical similarity between [...] Read more.
Background: The m7G cap structure, which mimics the natural cap of eukaryotic mRNA, is a critical determinant of mRNA vaccine efficacy, safety, and stability. However, its precise quantification remains challenging due to complex impurity profiles and the high physicochemical similarity between the target cap and related impurities. Although liquid chromatography mass spectrometry (LC-MS) is widely employed for this purpose, current methodologies still face significant limitations, including labor-intensive sample preparation, low analytical throughput, poor reproducibility in quantifying low-level impurities, and a lack of universally applicable strategies across diverse mRNA vaccine platforms. Methods: We systematically optimized sample preparation and LC-MS detection workflows. RNase H-mediated cleavage was compared with DNAzymes, guide DNA probes were rationally designed, and thermostable RNase H was introduced for one-step denaturation and cleavage. To establish an accurate, efficient, and universal sample preparation workflow. Chromatographic conditions were optimized using an ion-pairing reagent system to suppress ESI-MS metal adducts. Eliminating sample purification improves recovery, reduces manual handling errors, and boosts assay efficiency. Results: Through optimally designed guide DNA probes, RNase H cleavage specificity reached ≥98% with high cleavage efficiency, offering higher efficiency than DNAzyme. Furthermore, the incorporation of thermostable RNase H enabled a single-step workflow combining high-temperature denaturation and site-specific cleavage, substantially streamlining sample preparation. On the chromatographic side, optimization of the ion-pairing reagent system effectively suppressed metal adduct formation in electrospray ionization mass spectrometry (ESI-MS). This advancement enabled direct injection of the 5′ cap fragments without purification, achieving high-recovery quantification while demonstrating broad compatibility across mainstream LC-MS platforms. The optimized assay reduces the total analytical workflow from 4~6 h to under 1.5 h. Conclusions: Combining high accuracy, robustness, and broad platform compatibility, this method offers a universal, high-throughput analytical solution for mRNA vaccine quality control and continuous process development. Full article
(This article belongs to the Special Issue Next-Generation Vaccine Platforms for Emerging Infections)
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15 pages, 838 KB  
Article
Organ-Specific Phenolic Profiling and Integrated Antioxidant Evaluation of Cicer isauricum by LC–ESI–MS/MS and Multi-Assay Approach
by Salih Akca and Bedrettin Selvi
Int. J. Mol. Sci. 2026, 27(13), 5850; https://doi.org/10.3390/ijms27135850 - 29 Jun 2026
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Abstract
This study presents an integrated evaluation of the organ-specific phenolic composition and antioxidant activity of Cicer isauricum. Extracts obtained from leaves, stems, and roots were analyzed using liquid chromatography–electrospray ionization tandem mass spectrometry (LC–ESI–MS/MS) and multiple in vitro antioxidant assays. LC–MS/MS analysis [...] Read more.
This study presents an integrated evaluation of the organ-specific phenolic composition and antioxidant activity of Cicer isauricum. Extracts obtained from leaves, stems, and roots were analyzed using liquid chromatography–electrospray ionization tandem mass spectrometry (LC–ESI–MS/MS) and multiple in vitro antioxidant assays. LC–MS/MS analysis revealed a distinct organ-dependent distribution of phenolic compounds. Stem extracts were characterized by high levels of hyperoside (2227.97 µg/g extract), luteolin (298.22 µg/g), and eriodictyol (434.03 µg/g), while leaves were rich in hyperoside (1162.42 µg/g), hesperidin (459.40 µg/g) and kaempferol (182.88 µg/g). Root extracts were dominated by flavan-3-ols, particularly (+)-catechin (355.93 µg/g) and (–)-epicatechin (59.58 µg/g), indicating a differentiated metabolic profile. Antioxidant assays, including cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging, and 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assays, demonstrated that root extracts exhibited the strongest activity, with the lowest IC50 values (DPPH: 4.15 mg/mL; ABTS: 1.41 mg/mL) and highest reducing power (FRAP EC50: 0.41 mg/mL; CUPRAC EC50: 1.78 mg/mL). Correlation analysis confirmed strong associations between total phenolic content and antioxidant capacity, while compound-level evaluation highlighted flavan-3-ols as major contributors. These findings identify roots of C. isauricum as a promising source of natural antioxidants. Full article
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20 pages, 669 KB  
Article
The “Green Gold” May Have a Chance Towards Sustainability: Persea americana In Vitro Callus Cultures
by Vanessa Dalla Costa and Raffaella Filippini
BioTech 2026, 15(3), 47; https://doi.org/10.3390/biotech15030047 - 26 Jun 2026
Viewed by 394
Abstract
Superfoods have gained increasing attention for their nutritional and functional properties, with avocado (Persea americana Mill.) among the most prominent examples owing to its health-promoting compounds. However, avocado cultivation is associated with several challenges, including high water demand, environmental impact, seasonal variability, [...] Read more.
Superfoods have gained increasing attention for their nutritional and functional properties, with avocado (Persea americana Mill.) among the most prominent examples owing to its health-promoting compounds. However, avocado cultivation is associated with several challenges, including high water demand, environmental impact, seasonal variability, and post-harvest losses. To address these limitations, in vitro plant cell cultures represent a sustainable and controlled alternative for producing avocado-derived material. In this study, avocado var. Hass callus cultures were established and evaluated as a potential source of functional metabolites. Colourimetric assays performed at different growth stages identified 14-day-old callus as the most enriched in phenolic compounds and antioxidant activity; this material was therefore selected for further analyses. LC–ESI–QTOF–MS/MS profiling revealed a phenolic-rich composition, including flavonoids, proanthocyanidins, galloyl derivatives and phenylpropanoid-related compounds, consistent with vegetative plant tissues. Nutritional analysis showed high moisture content and low lipid levels, differing in composition from the avocado pulp, along with a high content of attention-grabbing nutrients, such as protein and fibre. Overall, although further studies are required to confirm compound identity and assess safety for future applications, avocado calli represent a promising sustainable platform for the production of value-added bioactive compounds. Full article
(This article belongs to the Section Industry, Agriculture and Food Biotechnology)
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