Search Results (10,185)

The worldwide rise in antimicrobial resistance, along with the ongoing prevalence of cancer, underscores the pressing need for novel, safe, and multifunctional therapeutic candidates. Medicinal plants continue to serve as a valuable source of chemically diverse bioactive molecules that modulate multiple biological targets. In this investigation, the preliminary screening of the antibacterial and anticancer activities of an ethanolic extract of Alhagi maurorum (A. maurorum) was comprehensively evaluated using integrated chemical characterization, in vitro bioassays, and in silico approaches. A liquid chromatography–mass spectrometry (LC-MS) analysis demonstrated a rich phytochemical profile including glucosinolates, phenolic acids, gallotannins, fatty acids, alkaloids, carotenoid derivatives, and 2-hexyldecanoic acid-associated constituents. Antibacterial efficacy was assessed by disk diffusion and minimum inhibitory concentration (MIC) testing against Escherichia coli (E. coli ) and Bacillus cereus (B. cereus), with the extract producing inhibition zones similar to those observed with streptomycin. Anticancer effects were determined using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assays with MCF-7 breast carcinoma cells and Hs27 normal fibroblasts over 24, 48, and 72 h., revealing a time-dependent, selective decrease in malignant cell viability with relatively limited toxicity towards normal cells. Induction of apoptosis was further verified by propidium iodide (PI) staining. A molecular docking analysis highlighted 2-hexyldecanoic acid as the principal active compound, with a strong binding affinity for critical bacterial targets (GyrA, GyrB, and RpoB). In silico toxicity and ADME (absorption, distribution, metabolism, and excretion) assessments indicated favorable drug-like properties, good gastrointestinal uptake, and acceptable safety profiles. Altogether, these results provide combined experimental and computational support for A. maurorum as a promising source of dual-purpose antibacterial and anticancer agents and lay a mechanistic foundation for subsequent preclinical studies. Full article

Background: Diabetic nephropathy (DN) is characterized by complex and region-specific metabolic dysregulation that is not captured by conventional biomarkers. However, the spatiotemporal organization of metabolic alterations across renal compartments in type 1 diabetes remains poorly understood. Methods: In this study, spatial metabolomics based on air flow-assisted desorption electrospray ionization mass spectrometry imaging (AFADESI-MSI) was applied to investigate metabolic alterations in kidney tissues from alloxan-induced diabetic rats at 4 and 8 weeks post-induction. Complementary LC–MS/MS metabolite profiling and label-free proteomic analysis were performed to support pathway interpretation. Results: Spatial metabolomics revealed pronounced region- and time-dependent metabolic reprogramming in diabetic kidneys. Early-stage (DN-4w) changes were characterized by elevated glucose and activation of glucose-associated pathways, including the polyol pathway, accompanied by accumulation of acylcarnitines and lipid intermediates, indicating metabolic substrate overload. At later stages (DN-8w), glucose and related metabolites declined, reflecting impaired metabolic capacity and mitochondrial dysfunction. Broad remodeling of lipid metabolism, including glycerophospholipids, fatty acids, and hexosylceramide, was observed, along with dysregulation of amino acid metabolism and redox-related pathways. These alterations exhibited clear regional heterogeneity across renal cortex and medulla, highlighting compartment-specific metabolic vulnerability. Conclusions: This study provides a comprehensive spatial characterization of metabolic perturbations during DN progression, revealing coordinated alterations in glucose utilization, lipid metabolism, and mitochondrial function. The findings demonstrate the value of spatial metabolomics in uncovering region-specific metabolic mechanisms and provide new insights into the pathogenesis of diabetic nephropathy. Full article

Per- and polyfluoroalkyl substances (PFAS) are persistent contaminants that require very strict performance criteria from the methods that want to analyze them in food for research or regulatory purposes. This systematic literature review tried to evaluate Quick, Easy, Cheap, Effective, Rugged, Safe (QuEChERS) extraction methodologies coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) and high-resolution mass spectrometry (HRMS) for PFAS determination in food. Peer-reviewed articles (2010–2025) were eligible if they analyzed PFAS in food matrices using QuEChERS extraction protocols with LC-MS/MS or HRMS and reported performance and/or validation data. Scopus, WoS and Google Scholar were searched up to 18 December 2025. Due to heterogeneity in matrices, PFAS panels and reported validation metrics, no meta-analysis was performed, and the results were synthesized narratively. Twenty-four studies met the inclusion criteria. Most methods used acidified acetonitrile (ACN)-based QuEChERS workflows and achieved limits of quantification (LOQ) reported to be compatible with EU Regulation 2023/915 and Commission Implementing Regulation 2022/1428. Analytical scope expanded from 9 to 15 legacy PFAS to >40 analytes. Short-chain PFAS analyses in vegetable matrices and methods from developing countries are underrepresented. QuEChERS-based LC-MS/MS and HRMS methods support regulatory PFAS monitoring and PFAS research. The main limitation of this review is the heterogeneity of included studies and the absence of formal meta-analysis. Full article

Lost circulation in oil-based drilling fluids (OBDFs) under high-temperature conditions remains a significant challenge in deep and ultra-deep drilling. In this study, a high-temperature-resistant composite lost circulation material (LCM) was developed based on a synergistic strategy combining rigid bridging–consolidation and flexible embedding–filling. Rigid self-consolidating particles were prepared by coating skeleton materials with modified thermosetting resin, while flexible oil-absorbing resin was synthesized via suspension polymerization. The materials exhibited excellent lipophilicity, thermal stability, and structural integrity at 150 °C, with oil absorption capacity up to 3.43 g/g. The optimized composite LCM showed superior plugging performance, achieving compressive strengths above 11 MPa in white oil and 5 MPa in base mud at 150 °C. Effective sealing of 1–3 mm pore structures was obtained with leakage volumes below 10 mL, and fractured formations could be successfully consolidated. Mechanistically, rigid particles provide structural bridging, flexible resin enables pore filling via swelling, and modified resin(thermosetting resin chemically modified to achieve self-consolidation) enhances consolidation and micro-pore sealing, resulting in a dense and high-strength plugging layer. This work provides a promising approach for designing high-performance LCMs for OBDFs in high-temperature drilling environments. Full article

Asthma is a chronic inflammatory disease with limited therapeutic options, highlighting the urgent need to explore alternative mechanisms and agents. Chlorogenic acid (CGA), a dietary polyphenol, exhibits anti-asthmatic properties, but its precise molecular mechanisms remain poorly understood. This study aimed to elucidate the mechanistic basis of CGA’s anti-asthmatic effects, hypothesizing a central role in regulating polyunsaturated fatty acid metabolism and ferroptosis. An ovalbumin-induced murine asthma model was established in female BALB/c mice to evaluate the therapeutic efficacy of CGA through inflammatory cell counts, cytokine levels (ELISA), and lung histopathology. Integrated lung lipidomics (LC-MS/MS) was employed to profile lipid mediators and phospholipids. The underlying mechanism was investigated in erastin-induced ferroptosis in BEAS-2B cells and validated in mouse lung tissue using qPCR, immunofluorescence, and assays for reactive oxygen species (ROS) and Fe²⁺. CGA treatment significantly attenuated airway inflammation, reduced Th2 cytokine (IL-4, IL-5) and IgE levels, and ameliorated lung pathology in a dose-dependent manner. Lipidomics revealed that asthma was associated with dysregulated docosahexaenoic acid (DHA) metabolism, characterized by elevated pro-inflammatory lipid peroxidation products (e.g., 11-HDoHE, 14-HDoHE), a profile reversed by CGA intervention. Mechanistically, molecular docking and subsequent validation identified CGA as an activator of the Nrf2 antioxidant pathway, leading to upregulation of the key ferroptosis defense genes SLC7A11 and GPX4 both in vitro and in vivo. Consequently, CGA treatment suppressed erastin-induced ROS production and Fe²⁺ accumulation in BEAS-2B cells. In conclusion, this study demonstrates that CGA exerts anti-asthmatic effects by reprogramming DHA metabolism to suppress ferroptosis while enhancing antioxidant pathways. These findings reveal a novel mechanistic axis for CGA and establish that targeting lipid peroxidation-driven ferroptosis represents a promising therapeutic strategy for asthma. Full article

Background: Ginsenosides are active natural compounds with diverse effects, and their interaction with the gut microbiota can influence microbial composition and abundance, though the long-term effects remain unclear. Methods: This study examines the impact of long-term oral ginsenoside administration on gut microbiota composition and structure in rats, as well as its pharmacokinetics. Twenty healthy male Wistar rats were divided into a control group (CK, receiving distilled water) and a ginsenoside treatment group (PGE, 100 mg/kg) for 30 days. Fecal samples were analyzed using 16S rRNA high-throughput sequencing on the Illumina HiSeq platform to assess microbial diversity. Concurrently, liquid chromatography–tandem mass spectrometry (LC-MS/MS) was utilized to determine the concentrations of ginsenosides in the serum and to investigate their pharmacokinetic properties (p < 0.05). Results: The results indicated that the α-diversity indices of the gut microbiota in the PGE group were significantly higher than in the CK group, suggesting that ginsenosides enhance microbial richness and diversity (p < 0.05). At the phylum level, the relative abundance of Firmicutes in the PGE group increased by 10.6% ± 2.72%, while that of Bacteroidetes decreased by 11.5% ± 3.18%; at the genus level, the proportion of Lactobacillus genus rose by 17.78% ± 4.37% (p < 0.05). Pharmacokinetic analysis revealed that the area under the concentration–time curve (AUC) and maximum concentration (C_max) of ginsenosides were significantly higher in the PGE group than in the CK group. Conclusions: Chronic oral administration of ginsenosides improves their absorption and utilization through gut microbiota modulation, offering experimental evidence for deeper insight into ginsenoside–microbe interactions. Full article

Food-induced anaphylaxis (FIA) is a life-threatening allergic reaction, while wheat-dependent exercise-induced anaphylaxis (WDEIA) is triggered by wheat ingestion plus cofactors. To elucidate their differences, we profiled serum extracellular vesicle (EV) proteomes from 240 participants, including WDEIA, FIA, oral allergy syndrome (OAS), and healthy controls. All blood samples were obtained at least one month after the most recent acute allergic reaction, using TMT-based LC-MS/MS with ELISA validation. A total of 583 EV proteins were confidently identified, revealing distinct immune features. Compared with controls, EV-derived C1-inhibitor (C1-INH) significantly decreased in both WDEIA and FIA, showing diagnostic potential for systemic anaphylaxis. Seventy-six proteins differed between WDEIA and FIA, with reduced apolipoprotein E (APOE) in FIA and elevated eosinophil cationic protein (ECP) in WDEIA, both exhibiting good discriminatory power. These findings indicate that serum EV proteomics can reveal unique immune signatures and identify C1-INH, APOE, and ECP as potential biomarkers distinguishing food-related anaphylaxis subtypes. Full article

The genus Burkholderia encompasses both plant pathogenic and beneficial species, yet the genomic determinants underlying this lifestyle divergence remain poorly understood. Using 16S rRNA sequencing of 100 rice cultivars, our companion study demonstrated that resistant varieties are enriched in beneficial Burkholderiaceae, leading to the isolation of three phenotypically contrasting strains. Here, we present comparative genomic analyses of non-pathogenic biocontrol strain Burkholderia vietnamiensis J14EpLeaf2 and pathogenic strains Burkholderia gladioli A1EpSeed5 and Burkholderia cepacia J14Eple. Pathogenic strains possess significantly larger genomes (8.36–8.46 Mb) enriched in mobile genetic elements compared to the streamlined 6.95 Mb genome of B. vietnamiensis. CAZyme analysis revealed broader repertoires of glycoside hydrolases and polysaccharide lyases in pathogens, consistent with enhanced plant cell wall degradation. B. gladioli possesses a complete T3SS and expanded T6SS with 301 predicted effectors, while B. cepacia lacks structural T3SS genes but harbors 271 candidate effectors predicted to be secreted via alternative secretion pathways, compared to 180 in B. vietnamiensis. Notably, B. cepacia harbors cystic fibrosis-associated markers (cable pili, ZmpA/ZmpB), raising significant biosafety concerns that preclude its agricultural application. LC-MS validated IAA, ornibactin, and AHL production in B. vietnamiensis, supporting its plant growth-promoting and biocontrol functions. Computational PPI networks predicted distinct interaction landscapes requiring experimental validation. This study provides a genomic framework for distinguishing pathogenic from beneficial Burkholderia and supports B. vietnamiensis as a safe biocontrol agent while cautioning against B. cepacia J14Eple. Full article

Emerging contaminants (ECs) and microplastics (MPs) are increasingly detected in surface waters, wastewaters, and drinking water, often as complex mixtures, transformation products, and particle-associated burdens that challenge routine monitoring. This critical review examines current analytical strategies for the detection and characterization of both molecular and particulate emerging contaminants in aquatic systems, with particular emphasis on their relevance to environmental and human health risk assessment. For molecular ECs, targeted LC–MS/MS and GC–MS and GC–MS/MS approaches are evaluated alongside high-resolution mass spectrometry (HRMS)-based suspect and non-target screening, retrospective data mining, and transformation-product elucidation. For MPs, particle-resolved vibrational spectroscopy including µ-FTIR and µ-Raman is critically assessed in comparison with complementary thermal analysis methods, such as pyrolysis–GC–MS and thermal extraction–desorption GC–MS (TED–GC–MS). Particular attention is given to the influence of sampling design, matrix-adapted sample preparation, analytical confidence, and method-dependent size and polymer coverage on data quality and interstudy comparability. The review further highlights the risks of ECs in relation to exposure pathways, mixture effects, and the potential carrier role of MPs for ECs, additives, and microorganisms. Finally, key priorities are identified for next-generation monitoring frameworks, including harmonized workflows, transparent confidence reporting, and stronger integration of analytical evidence with fate, exposure, and risk assessment. Full article

Atraphaxis virgata and Atraphaxis pyrifolia are xerophytic species of the Polygonaceae family that remain insufficiently characterized from pharmacognostic, phytochemical, and toxicological perspectives. This study provides an integrated evaluation of both species through anatomical authentication, sequential extraction of CO₂-extracted residual biomass, GC–MS and LC–MS metabolite profiling, and acute oral toxicity assessment. Anatomical analysis revealed shared xeromorphic traits, including cuticular protection, dorsiventral mesophyll organization, structured vascular bundles, and calcium oxalate druses. It also identified species-specific differences in leaf thickness, mesophyll arrangement, vascular architecture, and druse morphology. GC–MS analysis showed distinct chemical profiles: A. virgata displayed a concentrated profile dominated by acetophenone- and benzofuran-related constituents, whereas A. pyrifolia showed a broader spectrum of carbohydrate-derived, phenolic-related, and oxygenated constituents. LC–MS analysis supported the tentative annotation of diverse polyphenolic classes, including flavonoids, phenolic acids, coumarins, and phenylpropanoid derivatives. Acute oral toxicity testing showed no mortality at doses up to 2000 mg/kg, supporting a low acute oral toxicity classification under the tested conditions. However, histological examination revealed mild to moderate dose-dependent alterations in liver and kidney tissues at higher doses. The novelty of this work lies in linking diagnostic anatomical traits, species-specific metabolite patterns, residual biomass valorization, and preliminary safety evidence within a single comparative framework. These findings provide a basis for pharmacognostic authentication, phytochemical standardization, and future bioactivity-guided evaluation of Atraphaxis species. Full article

Developing efficient and sustainable catalysts for advanced oxidation processes (AOPs) to remove endocrine-disrupting compounds remains a critical challenge. In this study, a defect-engineered MnFe₂O₄@SBC composite was synthesized by loading spinel MnFe₂O₄ onto sewage sludge-derived biochar (SBC) prepared at different calcination temperatures, and applied for efficient periodate (PI) activation toward bisphenol A (BPA) degradation. The catalytic performance exhibited a volcano-type dependence on calcination temperature, with MnFe₂O₄@SBC-750 achieving the highest BPA removal efficiency (98.6% within 30 min). Structural characterization revealed that MnFe₂O₄@SBC-750 possessed an optimized carbon structure with a balance between defect sites and graphitized domains. Mechanistic investigations demonstrated that multiple reactive oxygen species, including ^•OH, O₂^•−, IO₃^• and ¹O₂, were involved in BPA degradation. LC-MS analysis identified key transformation intermediates and proposed degradation pathways, while toxicity assessment confirmed reduced ecological risks after treatment. Density functional theory (DFT) calculations indicated that MnFe₂O₄@SBC significantly enhanced PI adsorption and activation by promoting interfacial electron transfer and elongating the I-O bond in IO₄⁻. Notably, MnFe₂O₄@SBC-750 exhibited the strongest electron transfer capability, attributed to the optimal regulation of defect density and graphitization degree, which facilitated π-d electronic coupling at the MnFe₂O₄-SBC interface. Overall, this work elucidates the critical role of defect regulation in spinel biochar-based catalysts for oxidant activation and provides a sustainable strategy for converting sewage sludge into high-performance catalysts for water purification. Full article

The aim of this study was to valorize by-products of blue poppy (Papaver somniferum), a widely used ingredient in the food industry. This study focused on the isolation of bioactive compounds from leaves, stems, roots, capsules and cold-pressed cake. All samples were subjected to conventional solid–liquid extraction (SLE) using ethanol–water solutions of varying concentrations (0, 20, 40, 60, 80 and 96%) as the extraction solvent. The obtained extracts were analyzed for total phenolic content (TP), hydroxycinnamic acids (HCA), flavonols (FL), total flavonoids (TF), condensed tannins (CT) and antioxidant activity. Furthermore, the extracts were subjected to untargeted LC-MS analysis for qualitative characterization. Ethanol concentration significantly influenced the extraction efficiency of bioactive compounds, with the optimal solvent varying depending on the plant part and the specific class of compounds analyzed. Based on TP and TF content, capsule extracts exhibited the highest polyphenol levels. HCAs were detected in extracts from leaves, capsules, and cold-pressed cake. In total, 62 compounds were identified, belonging to various biochemical classes, including organic acids, hydroxycinnamic acids, alkaloids, flavonoids, and fatty acids. Overall, the results indicate that poppy by-products are a valuable source of bioactive components, with promising applications across different industrial sectors. Full article

Thyroid hormones (THs) are essential regulators of human brain development, and disrupted TH availability during pregnancy or early life is linked to adverse neurodevelopmental outcomes. Concerns that environmental chemicals interfere with TH signalling have increased the need for human-relevant in vitro systems to identify thyroid hormone system-disrupting chemicals (THSDCs) for risk assessment. Here, we compared two human-induced pluripotent stem cell (hiPSC)-derived brain organoid models for THSDC assessment: (i) human cortical organoids (COs) generated by unguided differentiation, offering higher architectural complexity but lower throughput; and (ii) neural stem cell-derived organoids (NSCOs), designed for scalability with reduced cellular diversity. Both models expressed key TH handling components, including the transporter SLC16A2 (MCT8) and the inactivating enzyme DIO3. Using LC–MS/MS, we show that exogenous T3 is depleted from culture media and metabolized to 3,3′-T2 and 3′-T1 in both models, alongside upregulation of T3-responsive genes (HR, KLF9, DIO3, SEMA3C). Pulse and chronic co-exposures to reference disruptors iopanoic acid (IA, deiodinase inhibitor) and silychristin (SC, MCT8 inhibitor) altered T3 metabolism and modulated T3-responsive transcriptional endpoints. In NSCOs, high-content imaging revealed treatment-associated changes in cell composition, with chronic T3 reducing the SOX2-positive progenitor pool and THSDCs blocking this effect. Together, these findings provide a framework for organoid qualification—linking TH handling, transcriptomic responsiveness, and scalable phenotypic readouts—as a necessary step toward model validation and implementation of brain organoids in THSDC risk assessment pipelines. Full article

Obesity is a major global health challenge characterized by chronic low-grade inflammation, oxidative stress, and an increased risk of cardiometabolic disorders. Although sex-related differences in inflammatory and redox biomarkers have been reported in obese populations, the molecular mechanisms underlying this heterogeneity remain incompletely understood. In this study, we applied a proteomics-based approach to investigate urinary extracellular vesicles from 45 obese individuals (BMI 30–40 kg/m²; age 50–70 years) in order to identify molecular signatures associated with metabolic dysregulation. Shotgun proteomics analysis performed by nanoLC–MS/MS enabled the identification of 3822 proteins. Hierarchical clustering of proteomic profiles revealed two distinct molecular groups, predominantly enriched in males (Group I) and females (Group II). Label-free quantitative analysis identified 466 differentially abundant proteins between the two clusters. Functional enrichment analysis highlighted pathways associated with immune response, metabolic regulation, and redox homeostasis, including glycolysis/gluconeogenesis, lysosome activity, leukocyte transendothelial migration, and glutathione, cysteine and methionine metabolism. Notably, proteins related to ferroptosis were enriched, suggesting the involvement of iron-dependent oxidative cell death mechanisms in the metabolic imbalance observed in a subset of subjects. Furthermore, the non-enzymatic glycosylation of urinary proteins was significantly higher in Group I compared with Group II (p = 0.0002), indicating increased formation of advanced glycation products in individuals with a more pronounced pro-oxidant state. Preliminary follow-up data suggested a higher incidence of pathological events, including cardiovascular complications, among individuals belonging to Group I. Overall, these findings demonstrate that urinary proteomic profiling can identify distinct molecular phenotypes among obese individuals and highlight oxidative stress, ferroptosis, and protein glycation as potential determinants of metabolic vulnerability, supporting the use of non-invasive proteomic approaches for improved risk stratification in obesity. Full article

Phyllanthus emblica L. is a nutraceutically important medicinal plant; however, the relationship between genetic variation and bioactive potential remains poorly understood. This study integrates genome-wide SNP analysis, phytochemical profiling, and functional bioassays to investigate cross-scale differentiation among fourteen cultivars. Genotyping-by-sequencing (GBS) identified 5644 high-quality SNPs from an initial dataset of 9018 SNPs, revealing moderate but structured genomic divergence (0.0275–0.0845). Phytochemical analysis of five commercial cultivars demonstrated significant variation (p < 0.05) in total phenolic content (6.58–15.53 mg GAE/gDW) and tannin content (284.52–333.81 mg TAE/gDW). Functional assays revealed strong anti-obesity potential, with crude extracts exhibiting superior α-glucosidase inhibition (up to 98.75%), while tannin-enriched extracts showed enhanced pancreatic lipase inhibition (up to 46.26%). Importantly, enzyme inhibition did not correlate directly with total phenolic or tannin content, indicating compound-specific bioactivity. LC-MS/QTOF analysis identified flavonoids (e.g., quercetin and kaempferol), phenolic acids, and other candidate metabolites potentially associated with enzyme inhibitory activity. These findings demonstrate a non-proportional association among genomic variation, metabolite composition, and functional bioactivity, suggesting that bioactivity may be influenced more strongly by compound-specific metabolite composition than by genome-wide similarity alone. Full article