Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Article Types

Countries / Regions

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Search Results (10,404)

Search Parameters:
Keywords = liquid chromatography–mass spectrometry

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
13 pages, 2481 KB  
Article
Identification of Flavonoids in the Xylem of Castanopsis hystrix and Their Content Variation Patterns During Heartwood Formation
by Ruoke Ma, Liuming Wei, Pingchuan Zhu, Heng Liu, Boling Liu and Jianhua Qi
Metabolites 2026, 16(9), 655; https://doi.org/10.3390/metabo16090655 - 8 Sep 2026
Abstract
Background: Flavonoid secondary metabolites accumulate in xylem during heartwood formation and critically influence wood color and economic value. However, the distribution patterns of individual flavonoids across sapwood, transition zone, and heartwood remain poorly characterized in Castanopsis hystrix, limiting mechanistic understanding of heartwood [...] Read more.
Background: Flavonoid secondary metabolites accumulate in xylem during heartwood formation and critically influence wood color and economic value. However, the distribution patterns of individual flavonoids across sapwood, transition zone, and heartwood remain poorly characterized in Castanopsis hystrix, limiting mechanistic understanding of heartwood formation and rational resource utilization. Methods: Sapwood, transition zone, and heartwood samples were collected and analyzed using ultra-performance liquid chromatography coupled with Q-Exactive Orbitrap mass spectrometry (UPLC-QE-MS) for qualitative and quantitative flavonoid determination. Multivariate statistical approaches, including hierarchical clustering, principal component analysis (PCA), and orthogonal partial least-squares discriminant analysis (OPLS-DA), were applied to compare regional metabolic profiles and to identify characteristic differential markers. Results: A total of 26 flavonoids were identified, covering flavones, flavonols, flavanones, dihydroflavonols, and flavanols. Quantitative and cluster analyses revealed distinct region-preferential accumulation: dihydrorobinetin, dihydromyricetin, morin, and kaempferol were highly enriched in heartwood; fustin, taxifolin, and cyanidin predominated in the transition zone, whereas afzelin and astilbin were more abundant in sapwood. PCA and OPLS-DA further selected four characteristic markers, namely dihydromyricetin, dihydrorobinetin, kaempferol and (−)-epicatechin, that effectively discriminated the three regions. Conclusions: This study establishes a clear radial gradient of flavonoid accumulation in C. hystrix xylem, demonstrating selective enrichment of specific metabolites from sapwood to heartwood. These findings provide essential data for deciphering the biochemical mechanisms of heartwood formation and offer a metabolic basis for quality assessment and high-value utilization of this timber species. Full article
(This article belongs to the Special Issue LC-MS/MS Analysis for Plant Secondary Metabolites, 2nd Edition)
Show Figures

Figure 1

16 pages, 2766 KB  
Article
Design, Synthesis, and Cytotoxic Evaluation of N-Phenyl-3-(Thiophen-2-Yl)acrylamide Derivatives
by Pablo S. Cavagnero, Felipe A. Zúñiga, Yaritza Ormazábal, Yeray A. Rodríguez-Núñez, David Ramírez, Paulina V. Hormazabal, Jorge Saavedra-Olavarría, Claudio A. Jiménez, Efraín Polo-Cuadrado and Jhon J. López
Molecules 2026, 31(18), 3147; https://doi.org/10.3390/molecules31183147 - 8 Sep 2026
Abstract
A series of N-phenyl-3-(thiophen-2-yl)acrylamide derivatives were designed and synthesized to investigate the influence of electronic and steric modifications on cytotoxic activity. Although related thiophene-containing acrylamides have been reported, the specific compounds studied in this study have not been previously described. Structural variations [...] Read more.
A series of N-phenyl-3-(thiophen-2-yl)acrylamide derivatives were designed and synthesized to investigate the influence of electronic and steric modifications on cytotoxic activity. Although related thiophene-containing acrylamides have been reported, the specific compounds studied in this study have not been previously described. Structural variations were introduced at the para position of the N-phenyl ring (H, CF3, and OCF3) and at the 5-position of the thiophene ring (H and CH3) to enable preliminary structure–activity relationship (SAR) analysis. The target compounds were synthesized via Knoevenagel–Doebner condensation, followed by carbodiimide-mediated amide coupling. The compounds were characterized using nuclear magnetic resonance (NMR) spectroscopy, high-resolution mass spectrometry (HRMS), Fourier-transform infrared (FTIR) spectroscopy, and high-performance liquid chromatography (HPLC). Computational evaluation indicated compliance with Lipinski’s rule of five and the absence of predicted mutagenic, tumorigenic, irritant, and reproductive risks. Cytotoxic activity was determined using the sulforhodamine B (SRB) assay against human breast adenocarcinoma (MCF-7), gastric adenocarcinoma (AGS), colorectal adenocarcinoma (Caco-2), oral squamous cell carcinoma (HSC-3), hepatocellular carcinoma (HepG2) cell lines and non-cancerous human dermal fibroblasts (HDF). Compounds 11 and 16 displayed the most consistent activity, with half-maximal inhibitory concentration (IC50) values of 379, 420, and 265 μM and 272, 256, and 242 μM against AGS, Caco-2, and MCF-7 cells, respectively. MCF-7 cells were the most sensitive model. The most active derivative was compound 16, suggesting that the combination of a 5-methylthiophene moiety and a para-CF3 substituent may be beneficial within this limited compound series. These findings provide a preliminary evaluation of this scaffold and will help guide future studies on structural modifications. Full article
Show Figures

Figure 1

24 pages, 3841 KB  
Article
Phytochemical Profiling and α-Glucosidase and α-Amylase Inhibitory Activities of Underutilised Nanhaia speciosa Aerial Biomass
by Wei Dai, Jing Yang, Yiting Chen, Liangqian Zhang, Yuxi Wu, Gantao Cheng, Qi Wang and Xin He
Foods 2026, 15(17), 3167; https://doi.org/10.3390/foods15173167 - 7 Sep 2026
Abstract
The aerial parts of Nanhaia speciosa are often discarded despite their potential as a source of bioactive compounds. This study aimed to characterise this underutilised biomass and evaluate its functional properties relevant to carbohydrate digestion. Ultra-high-performance liquid chromatography–quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), [...] Read more.
The aerial parts of Nanhaia speciosa are often discarded despite their potential as a source of bioactive compounds. This study aimed to characterise this underutilised biomass and evaluate its functional properties relevant to carbohydrate digestion. Ultra-high-performance liquid chromatography–quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), Global Natural Products Social (GNPS) molecular networking, and MS/MS fragmentation analysis tentatively annotated 96 compounds, mainly flavonoids and nitrogen-containing constituents. The extract inhibited α-glucosidase and α-amylase in a concentration-dependent manner, with IC50 values of 9.98 ± 0.02 and 174.83 ± 1.31 μg/mL, respectively, compared with 29.73 ± 0.04 and 39.46 ± 0.19 μg/mL for acarbose. The extract also showed measurable chemical antioxidant capacity. Network pharmacology suggested potential involvement of cAMP-, calcium-, and receptor-associated signalling. Molecular docking prioritised butein as a candidate constituent with favourable predicted interactions with both enzymes, and molecular dynamics simulations supported stable predicted binding. The estimated MM/GBSA binding free energies of butein were −36.68 and −32.03 kcal/mol for α-glucosidase and α-amylase, respectively. These findings indicate that the aerial biomass of N. speciosa is a promising source of phytochemicals with potential carbohydrate-hydrolase inhibitory properties, although the activity of individual constituents requires further experimental validation. Full article
Show Figures

Figure 1

22 pages, 2017 KB  
Article
Pilot Study on Human Exposure to Microplastics in Intraocular Fluids and Bisphenols in Serum: Analytical Detection and Characterisation
by Tanja Bogdanović, Silvio Špičić, Zoran Vatavuk, Goran Marić, Zvonimir Jažo, Alessio Gomiero, Vedrana Marić, Sandra Petričević, Eddy Listeš, Federica Di Giacinto, Chiara Profico, Irena Listeš and Jelka Pleadin
Microplastics 2026, 5(3), 176; https://doi.org/10.3390/microplastics5030176 - 7 Sep 2026
Abstract
The widespread presence of microplastics (MPs) and associated plastic-derived compounds, bisphenols (BPs), in the environment—originating from plastic production or adsorption of environmental pollutants—results in unavoidable human exposure. Therefore, assessing their occurrence in human biological samples is essential for understanding potential health risks. In [...] Read more.
The widespread presence of microplastics (MPs) and associated plastic-derived compounds, bisphenols (BPs), in the environment—originating from plastic production or adsorption of environmental pollutants—results in unavoidable human exposure. Therefore, assessing their occurrence in human biological samples is essential for understanding potential health risks. In this study, pyrolysis gas chromatography–mass spectrometry was used to analyse human intraocular fluids—aqueous humour (AH) and vitreous humour (VH)—to identify 11 microplastic polymer clusters. A method based on dansyl chloride derivatisation combined with ultra-performance liquid chromatography–tandem mass spectrometry was employed to screen for five bisphenols (BPs) in blood serum collected from the same patients. Potential MPs isolated from ocular samples were qualitatively assessed by stereomicroscopy. The number of particles ranged from 14 to 69 per gram in AH and from 21 to 34 per gram in VH. Among AH samples, the most frequently detected polymer clusters were C-PVC, C-PMMA, C-PET, and C-PP, with average levels ranging from 0.41 to 0.84 µg/g. The three VH samples contained only C-PMMA, with an average concentration of 0.55 ± 0.12 µg/g. Polymers such as C-PA66 (0.30 ± 0.21 µg/g) and C-PA6 (0.15 ± 0.44 µg/g) were occasionally observed in AH. Analysis of 13 human serum samples demonstrated exposure to bisphenol A (BPA; 4.05–5.18 ng/mL) and bisphenol AF (BPAF; 2.13–4.54 ng/mL), but no clear correlation was observed between serum BP levels and intraocular MPs within the limitations of the present dataset. These findings suggest the presence of MPs and BPs in human biological samples; however, the results should be interpreted with caution owing to potential background contamination and the pilot nature of the study. Full article
(This article belongs to the Collection Microplastics and Human Health)
Show Figures

Figure 1

19 pages, 3142 KB  
Article
Sorption of Pharmaceuticals onto Polyethylene Terephthalate and Medium-Density Polyethylene: Influence of Plastic Polymer Type and Water Medium
by Marta Cabrera-Sola, Beatriz Suárez-González, Úrsula Gallardo-Gómez, Lourdes Rodrigo and Alberto Zafra-Gómez
Environments 2026, 13(9), 499; https://doi.org/10.3390/environments13090499 - 7 Sep 2026
Abstract
The growing accumulation of microplastics in marine ecosystems, coupled with the presence of emerging contaminants such as pharmaceuticals, represents an environmental problem that has received little attention to date. The present study evaluates the potential of microplastics to act as transport vectors for [...] Read more.
The growing accumulation of microplastics in marine ecosystems, coupled with the presence of emerging contaminants such as pharmaceuticals, represents an environmental problem that has received little attention to date. The present study evaluates the potential of microplastics to act as transport vectors for pharmaceuticals through their adsorption onto two plastic polymers widely used today: polyethylene terephthalate (PET) and medium-density polyethylene (MDPE) in seawater. As a control, the same experiments were conducted in ultrapure water (Milli-Q). Both plastics were exposed to a mixture of 29 pharmaceuticals belonging to different therapeutic classes over a 28-day period, with sampling conducted at various time intervals. The identification, quantification, and characterization of the compounds were performed using ultra-high-performance liquid chromatography coupled with mass spectrometry detection. Statistical analysis was performed using R-Studio software. Outcomes reveal that the type of polymer significantly influences adsorption, with MDPE being more efficient than PET. In contrast, the type of water and the therapeutic class of the drugs were not identified as determining factors. Furthermore, a positive, albeit moderate, correlation was observed between the hydrophobicity of the pharmaceutical and its adsorption efficiency on MDPE. These findings suggest that hydrophobic interactions play a key role in the adsorption of drugs onto microplastics, providing a solid foundation for future research, such as predictive models or mitigation strategies in aquatic ecosystems. Full article
(This article belongs to the Special Issue Microplastic Pollutants in Aquatic Environments)
Show Figures

Figure 1

15 pages, 238 KB  
Article
Vitamins and Vitamin-like Compounds in Severe Canine Periodontal Disease: A Prospective Exploratory Cross-Sectional Pilot Study
by Suzanna L. Hatunen and Jamie G. Anderson
Vet. Sci. 2026, 13(9), 916; https://doi.org/10.3390/vetsci13090916 - 7 Sep 2026
Viewed by 55
Abstract
Vitamins and vitamin-like compounds are critical in human periodontitis pathogenesis. Limited reports on vitamin alterations in canine periodontal disease (PD) are available. A prospective, exploratory, cross-sectional pilot study evaluating plasma concentrations of vitamins and vitamin-like compounds by liquid chromatography and mass spectrometry was [...] Read more.
Vitamins and vitamin-like compounds are critical in human periodontitis pathogenesis. Limited reports on vitamin alterations in canine periodontal disease (PD) are available. A prospective, exploratory, cross-sectional pilot study evaluating plasma concentrations of vitamins and vitamin-like compounds by liquid chromatography and mass spectrometry was undertaken. The test cohort included 17 dogs with severe periodontitis, in at least two quadrants, and eight periodontally healthy control dogs seen for non-periodontal oral conditions. Strict inclusion and exclusion criteria were applied to the canine patients enrolled in this private specialty practice pilot study. After adjustment for multiple comparisons, only vitamin B9 (folate) was significantly associated with severe PD, with geometric mean concentrations approximately 28% lower in dogs with severe PD than in controls (0.00139 vs. 0.00193 μmol/L; adjusted p = 0.006). In exploratory unadjusted analyses, several additional metabolites had lower geometric mean concentrations in dogs with severe PD. Given the small and unbalanced sample and the inability to standardize diet, these findings should be interpreted as preliminary. Further investigation in larger, prospective, diet-controlled studies integrating vitamin profiling, metabolomics, and the oral microbiome is warranted. Full article
27 pages, 4059 KB  
Article
From Detoxified Yam to Bioactive Extracts: Integrated Extraction and In Silico Evidence of Anti-Biofilm Activity of Dioscorea hispida Extracts Against Cutibacterium acnes
by Suthinee Sangkanu, Jiraporn Khanansuk, Muhammad Ikhlas Abdjan, Yan Wang, Sathianpong Phoopha, Wandee Udomuksorn, Michael Wink and Sukanya Dej-adisai
Life 2026, 16(9), 1494; https://doi.org/10.3390/life16091494 - 6 Sep 2026
Viewed by 123
Abstract
The increasing prevalence of biofilm-associated infections caused by Cutibacterium acnes has stimulated interest in food-derived natural products as alternative sources of anti-biofilm agents. This study investigated the effects of processing and extraction conditions on the phytochemical composition, antibacterial activity, and anti-biofilm properties of [...] Read more.
The increasing prevalence of biofilm-associated infections caused by Cutibacterium acnes has stimulated interest in food-derived natural products as alternative sources of anti-biofilm agents. This study investigated the effects of processing and extraction conditions on the phytochemical composition, antibacterial activity, and anti-biofilm properties of Dioscorea hispida Dennst. Reflux extraction of dried yam with 80% ethanol produced the crude extracts with the highest yields (1.39–1.80%), whereas fresh yam yielded 0.51–0.97% extract. Using Gas–liquid chromatography–mass spectrometry (GLC-MS) analysis, linoleic acid ethyl ester, n-hexadecanoic acid, 9,12-octadecadienoic acid (Z,Z)-, and stigmasterol were identified as the major constituents. Among the tested extracts, DH-W-F-H (D. hispida-water washing-fresh-hexane) and DH-W-F-E (D. hispida-water washing-fresh-ethanol) were extracted from fresh yam using hexane and ethanol, respectively, while DH-W-D-E (D. hispida-water washing-dry-ethanol) was isolated from dried yam using ethanol and exhibited the strongest antibacterial activity, with minimum inhibitory concentrations (MIC) ranging from 64 to 2048 µg/mL. These extracts demonstrated pronounced concentration-dependent inhibition of biofilm formation by Staphylococcus epidermidis, Staphylococcus aureus, and Cutibacterium acnes. The strongest anti-biofilm activity was observed against C. acnes, with biofilm formation nearly eliminated at MIC concentrations. Moreover, all three extracts significantly reduced established C. acnes biofilms, with DH-W-F-H exhibiting greater eradication efficacy than vancomycin under the tested conditions. To elucidate the underlying mechanism, major fatty acid derivatives were evaluated against C. acnes lipase (CALipase), a virulence factor associated with biofilm development, using molecular docking, molecular dynamics simulations, and the Molecular Mechanics-Generalized Born Surface Area (MM-GBSA) binding free-energy calculations. The compounds exhibited favorable interactions with CALipase, with linoleic acid ethyl ester (FA2) showing the strongest binding affinity, stable protein–ligand interactions throughout a 200 ns simulation, and the most favorable binding free energy. Collectively, the biological and computational findings suggest that fatty acid-rich extracts from processed D. hispida suppress biofilm formation through an antivirulence mechanism involving CALipase inhibition. These results highlight the potential of D. hispida as a source of metabolites for the development of functional food ingredients and value-added cosmetic and dermatological applications. Full article
(This article belongs to the Special Issue Bioactive Natural Products: From Exploration to Therapeutic Potential)
Show Figures

Graphical abstract

27 pages, 2623 KB  
Article
Application of UPLC-MS/MS-Based Widely Targeted Metabolomics Reveals Metabolic Reprogramming During Post-Harvest Storage of Ehretia macrophylla Fruits
by Xining Geng, Mengyao Luo, Fengqin Huang, Shuaizheng Qi, Lihua Xie, Meiyu Li, Minghui Chen, Congping Xu and Shiping Cheng
Foods 2026, 15(17), 3154; https://doi.org/10.3390/foods15173154 - 5 Sep 2026
Viewed by 100
Abstract
Ehretia macrophylla fruit is a traditionally used but underutilized functional resource that is noted for its diverse phytochemical composition, which includes flavonoids and polyphenols. However, the systematic metabolic transformations that occur in the fruit during post-harvest storage—particularly those associated with its traditional processing [...] Read more.
Ehretia macrophylla fruit is a traditionally used but underutilized functional resource that is noted for its diverse phytochemical composition, which includes flavonoids and polyphenols. However, the systematic metabolic transformations that occur in the fruit during post-harvest storage—particularly those associated with its traditional processing into dark fruit tea—remain largely unknown, limiting efforts to optimize quality and processing strategies. In the study, to address this gap, we employed a widely targeted metabolomics approach based on ultra-performance liquid chromatography–tandem mass spectrometry (UPLC-MS/MS) to dynamically profile the fruit metabolome across four storage stages (T0, T4, T8, T12). A total of 1101 metabolites were putatively annotated, and day 8 (T8) emerged as a potential pronounced metabolic inflection point. From T8 onward, 30–40% of metabolites showed differential accumulation, characterized by a gradual rise in nutrition-relevant lipids, amino acids, and vitamins. In contrast, key antioxidant-related metabolites, including phenolics and flavonoids, increased transiently before T8 but declined sharply thereafter. These coordinated shifts correlated with an increased representation of lipid- and alkaloid-related metabolic pathways, whereas flavonoid-associated features showed a relative decline. Collectively, these findings provide insights into the biochemical processes potentially associated with fruit blackening and the marked decline in antioxidant capacity during traditional processing. Our study provides the first metabolic blueprint connecting traditional processing practices with phased metabolic remodeling, offering a scientific foundation for quality assessment and the development of informed post-harvest strategies for processing E. macrophylla fruit. Full article
16 pages, 601 KB  
Article
Sex-Based Differences in the Vitamin D Metabolite Ratio and Its Associated Factors Among Healthy Japanese Adults: A Cross-Sectional Study
by Hiroyasu Miyamoto, Reiko Kisugi, Ayasa Tajima, Masaki Miyasaka, Tomokazu Matsuura, Tamayo Sano, Akihiro Kunisawa, Daisuke Kawakami, Tsuyoshi Nakanishi, Nobuhiro Hanafusa, Yutaka Furutani and Sae Ochi
Biomedicines 2026, 14(9), 1993; https://doi.org/10.3390/biomedicines14091993 - 4 Sep 2026
Viewed by 1393
Abstract
Background/Objectives: Vitamin D is a pleiotropic substance that plays a pivotal role in the human body. Several studies have suggested sex-based differences in vitamin D metabolism. Recently, the vitamin D metabolite ratio (VMR), defined as the ratio of serum 24,25-dihydroxyvitamin D [24,25(OH) [...] Read more.
Background/Objectives: Vitamin D is a pleiotropic substance that plays a pivotal role in the human body. Several studies have suggested sex-based differences in vitamin D metabolism. Recently, the vitamin D metabolite ratio (VMR), defined as the ratio of serum 24,25-dihydroxyvitamin D [24,25(OH)2D] to 25-hydroxyvitamin D [25(OH)D], has been identified as a novel marker that may more accurately reflect vitamin D status than serum 25(OH)D alone. This study aimed to assess whether significant variability exists in the VMR across different demographic groups. Methods: Residual serum samples and laboratory data were collected from healthy adults who underwent health checkups at a health center in Japan. Serum concentrations of 25(OH)D3 and 24,25(OH)2D3 were simultaneously measured using a fully automated liquid chromatography–tandem mass spectrometry (LC-MS/MS) system. Factors affecting the levels of 25(OH)D3, 24,25(OH)2D3, and VMR were analyzed using multiple regression analysis and the stabilized inverse probability weighting method. Results: Tentative reference intervals for 24,25(OH)2D3 were found to be 0.3–3.0 ng/mL for males and 0.2–2.3 ng/mL for females. Those for VMR were found to be 3.0–11.8% for males and 2.5–10.4% for females, demonstrating statistically significant but moderate differences between the sexes. These differences remained significant even after adjusting for baseline covariates including 25(OH)D3. However, the standard deviation ratios were less than 0.5. An estimated glomerular filtration rate and an age of ≥50 years were positively associated with 24,25(OH)2D3 and VMR, whereas diabetic status was negatively associated with these markers. Conclusions: This study revealed moderate sex-based differences in markers of vitamin D metabolism. Although further research is needed to determine whether these differences are consistent across other populations, future epidemiology and clinical interventions should take into consideration of the sex-based differences in vitamin D metabolism. Full article
(This article belongs to the Special Issue Vitamin D: Latest Scientific Discoveries in Health and Disease)
Show Figures

Figure 1

24 pages, 7304 KB  
Article
Mechanism of Action of Hedyotis diffusa Extract in a Rat Model of Acute Lung Injury Based on Transcriptomic Analysis
by Chenyi Lu, Xinyi Yang and Xin Yang
Biology 2026, 15(17), 1549; https://doi.org/10.3390/biology15171549 - 4 Sep 2026
Viewed by 182
Abstract
Objective: This study established a rat model of lipopolysaccharide (LPS)-induced acute lung injury (ALI) to evaluate pathological damage, collagen deposition, inflammatory cytokine levels, and key gene/protein expression following Hedyotis diffusa water extract (HDWE) intervention. Combined with ultra-high-performance liquid chromatography-quadrupole Orbitrap high-resolution mass spectrometry [...] Read more.
Objective: This study established a rat model of lipopolysaccharide (LPS)-induced acute lung injury (ALI) to evaluate pathological damage, collagen deposition, inflammatory cytokine levels, and key gene/protein expression following Hedyotis diffusa water extract (HDWE) intervention. Combined with ultra-high-performance liquid chromatography-quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), transcriptomic analysis, and molecular simulation, this study identified the bioactive components of HDWE, evaluated their potential interactions with ALI-related targets, and explored the multi-omics-based protective mechanisms of HDWE. Methods: Thirty-six Sprague–Dawley (SD) rats were randomly divided into six groups: Control group, ALI group, DXMS group, HDWE-L group (100 mg/kg), HDWE-M group (200 mg/kg), and HDWE-H group (300 mg/kg). Hematoxylin and eosin (H&E) and Masson’s trichrome staining were used to evaluate lung pathological changes and collagen deposition. Enzyme-linked immunosorbent assay (ELISA) was used to measure serum tumor necrosis factor-α TNFα interleukin-1β IL1β, erleukin-6 (IL-6), and interleukin-10 (IL-10) levels. Transcriptomic analysis identified differentially expressed genes (DEGs), followed by Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG), receiver operating characteristic (ROC), and immune infiltration analyses. Quantitative real-time polymerase chain reaction (qRT-PCR) detected the mRNA expression levels of SPHK1, RELA, and NFKBIA. Immunohistochemistry evaluated the expression of eight hub targets, including endothelin-1 (EDN1), sphingosine kinase 1 (SPHK1), intercellular adhesion molecule 1 (ICAM1), interleukin-17 (IL-17), prostaglandin-endoperoxide synthase 2 (PTGS2/COX-2), NF-κB p65 (encoded by RELA), WT1-associated protein (WTAP), and myeloperoxidase (MPO). UHPLC-Q-Orbitrap HRMS characterized HDWE constituents. Molecular docking analysis was performed between 22 compounds and eight hub targets, followed by 100 ns molecular dynamics simulations and molecular mechanics-Poisson–Boltzmann surface area (MM/PBSA) binding free energy calculations for five core targets. Compared with the control group, the ALI group showed increased levels of TNF-α (86%), IL-1β (107%), and IL-6 (66%), accompanied by a 43% reduction in IL-10 and a 300% increase in lung collagen deposition. All HDWE doses alleviated inflammatory responses, with medium-dose HDWE showing the most pronounced effects. Specifically, medium-dose HDWE increased IL-10 levels by 52% and reduced IL-6, TNF-α, and IL-1β levels by 18%, 22%, and 11%, respectively. Transcriptomic analysis identified 2512 DEGs between the control group and ALI groups, 832 exclusive DEGs between the ALI group and HDWE-M groups, and 876 overlapping DEGs enriched in TNF, IL-17, and NF-κB signaling pathways. The eight-hub-gene diagnostic model achieved an area under the curve (AUC) of 0.969. RELA, SPHK1, and four other hub genes showed positive correlations with Th1, Th17, and neutrophil infiltration. In the ALI group, SPHK1, RELA, and NFKBIA mRNA expression levels were 1.30-, 0.96-, and 0.71-fold of those in the control group, respectively. Compared with the ALI group, high-dose HDWE treatment and low-dose HDWE treatment reduced SPHK1 expression to 0.62- and 0.57-fold, respectively, and increased NFKBIA expression to 1.68- and 1.58-fold, respectively. High-dose HDWE treatment reduced RELA expression to 0.43-fold. The expression levels of inflammation-related proteins were increased in the ALI group and were reduced after HDWE treatment. Twenty-two HDWE components were identified, 16 of which met the docking criteria. Asperulosidic acid exhibited favorable predicted binding affinities with all eight targets, with calculated binding free energies of −14.74, −14.92, −17.58, −23.04, and −16.10 kcal/mol for MPO, IL-17, NF-κB p65, PTGS2/COX-2, and SPHK1, respectively. Conclusions: This study provides systematic in vivo pharmacodynamic and in silico component-target evidence regarding the protective effects of HDWE against LPS-induced ALI. HDWE treatment increased NFKBIA expression and reduced SPHK1, RELA, and multiple inflammatory protein levels, suggesting that HDWE may regulate the IL-17/NF-κB-associated inflammatory network, although direct causal relationships require further validation. Asperulosidic acid may represent a key bioactive component with broad target-binding potential. This study was limited by the use of an LPS-induced rat ALI model without gene knockout or target inhibitor validation; therefore, further functional experiments are required to confirm the proposed regulatory mechanisms. Full article
(This article belongs to the Section Medical Biology)
Show Figures

Graphical abstract

14 pages, 1134 KB  
Article
Assessment of Veterinary Antimicrobial Residues in Feedlot Soils in Argentina
by Sergio Sánchez Bruni, Laura Galotta, María Guadalupe de Yaniz, Laureano Schofs, Mónica Sparo, Lucila Cantón, Laura Moreno and Peers Davies
Antibiotics 2026, 15(9), 862; https://doi.org/10.3390/antibiotics15090862 - 4 Sep 2026
Viewed by 180
Abstract
Background/Objectives: This prospective cross-sectional study quantified veterinary antimicrobial residues in soils from 27 commercial beef feedlots across multiple regions of Argentina and production scales. Methods: Using a validated Ultra-Fast Liquid Chromatography–tandem mass spectrometry (UFLC-MS/MS) method, we measured 15 target antimicrobials in [...] Read more.
Background/Objectives: This prospective cross-sectional study quantified veterinary antimicrobial residues in soils from 27 commercial beef feedlots across multiple regions of Argentina and production scales. Methods: Using a validated Ultra-Fast Liquid Chromatography–tandem mass spectrometry (UFLC-MS/MS) method, we measured 15 target antimicrobials in pooled corral soil samples. Results: Monensin was detected in all feedlots and showed the highest detection frequency and widest concentration range; peak concentrations exceeded 15,000 ppb in some sites. Oxytetracycline presented pronounced, site-specific peaks (approaching 14,000 ppb), consistent with its strong adsorption to soil organic matter and limited biodegradation. These results indicate localised hotspots of antimicrobial loading in feedlot environments. These elevated concentrations signify substantial antimicrobial loading in confined animal environments and potential hotspots for environmental selection pressure. Compounds absent from farm treatment records were detected in 40.7% of feedlots, correlating with antimicrobial residues not matching available AMU records, including oxytetracycline, tulathromycin, cefquinome, enrofloxacin, and ciprofloxacin among others. Multiple non-exclusive explanations are plausible (historical persistence, manure redistribution, incomplete records, off-label use, or cross-contamination). The detection of critically important antimicrobials (e.g., fluoroquinolones and advanced cephalosporins) in soils raises One Health concerns about environmental selection pressure and the potential dissemination of resistance determinants. Conclusions: These findings underscore gaps in stewardship and the need for integrated environmental monitoring and improved antimicrobial usage traceability. These data provide a baseline for ecological risk assessment and resistome studies and can inform evidence-based policy and stewardship interventions in Argentine feedlot systems. Full article
(This article belongs to the Section Antibiotics in Animal Health)
Show Figures

Graphical abstract

17 pages, 2833 KB  
Article
Systemic Metabolic Changes in Plasma of Patients with Myelodysplastic Neoplasms and Chronic Myelomonocytic Leukemia
by Ekaterina Balaian, Iryna Kovtun, Fabian Springer, Denise Medeiros Selegato, Sophie Jonas, Uta Oelschlaegel, Manja Wobus, Michael Wulfert, Corinna Strupp, Ulrich Germing, Michael Zimmermann, Martin Bornhäuser, Triantafyllos Chavakis, Katja Sockel and Alexander Funk
Metabolites 2026, 16(9), 648; https://doi.org/10.3390/metabo16090648 - 4 Sep 2026
Viewed by 192
Abstract
Background: Myelodysplastic neoplasms (MDSs) are clonal hematopoietic stem cell disorders associated with ineffective hematopoiesis, chronic inflammation, and increased cardiovascular morbidity. Although metabolic dysregulation has been implicated in MDS pathogenesis, systemic metabolic alterations remain incompletely characterized. Methods: Plasma samples from treatment-naïve patients with MDS [...] Read more.
Background: Myelodysplastic neoplasms (MDSs) are clonal hematopoietic stem cell disorders associated with ineffective hematopoiesis, chronic inflammation, and increased cardiovascular morbidity. Although metabolic dysregulation has been implicated in MDS pathogenesis, systemic metabolic alterations remain incompletely characterized. Methods: Plasma samples from treatment-naïve patients with MDS or chronic myelomonocytic leukemia (CMML) and age-matched healthy controls were analyzed using quantitative nuclear magnetic resonance spectroscopy and liquid chromatography-mass spectrometry (LC-MS). Metabolomic profiles were compared using unsupervised and supervised multivariate analyses, validated in an independent external MDS cohort, and integrated with re-analysis of publicly available RNA-sequencing datasets from purified CD14+ CMML monocytes. Results: Patients with MDS and CMML exhibited broad reductions in circulating lipoprotein-associated metabolites, including HDL-, LDL-, IDL-, and apolipoprotein-associated fractions, indicating disturbed systemic lipoprotein homeostasis. Within the discovery cohort, CMML samples showed higher concentrations of the ketone bodies 3-hydroxybutyrate and acetoacetate, as well as succinate. LC-MS analysis demonstrated selective increases in C18:1 acylcarnitine, oleic and isopalmitic acids, whereas free carnitine abundance remained unchanged. Elevated 3-hydroxybutyrate levels were not associated with mutational burden, hematologic parameters, disease risk, or immunophenotypic features. Re-analysis of public CMML monocyte transcriptomes demonstrated increased expression of genes involved in lipid uptake and intracellular lipid trafficking, including FABP5, APOE, LPL, and SLC27A2, without coordinated activation of fatty acid oxidation pathways. External cohort analysis confirmed the overall MDS-associated plasma metabolomic profile. Conclusions: MDSs and CMML are associated with reproducible alterations in systemic lipid metabolism characterized by reduced circulating lipoprotein-associated metabolites, while CMML showed more pronounced ketone body- and acylcarnitine-associated metabolic phenotype accompanied by changes in lipid-handling transcriptional programs. These findings support altered systemic lipid metabolism and carnitine-dependent fatty acid handling as characteristic features of myeloid neoplasms and provide a rationale for future functional studies investigating lipid metabolism in disease pathogenesis. Full article
Show Figures

Figure 1

25 pages, 458 KB  
Article
Antioxidant Properties and Bioactive Compounds of Oregano, Sage, Basil, Rosemary, and Herbal Mixtures
by Julia Płatkiewicz, Joanna Wróbel, Magdalena Jeszka-Skowron, Robert Frankowski, Zuzanna Grześkowiak, Beata Czarczyńska-Goślińska, Anna Maria Jeszka and Agnieszka Zgoła-Grześkowiak
Antioxidants 2026, 15(9), 1113; https://doi.org/10.3390/antiox15091113 - 4 Sep 2026
Viewed by 245
Abstract
Herbs and spices are traditionally added to food in cuisines around the world. Antioxidant activity and content of bioactive compounds were compared in oregano, sage, basil, rosemary, and herbal mixtures. After optimization of ultrasound-assisted extraction of the ethanol–water extracts, the content of reducing [...] Read more.
Herbs and spices are traditionally added to food in cuisines around the world. Antioxidant activity and content of bioactive compounds were compared in oregano, sage, basil, rosemary, and herbal mixtures. After optimization of ultrasound-assisted extraction of the ethanol–water extracts, the content of reducing compounds of the herb extracts was tested using the Folin–Ciocalteu method, and antioxidant capacity was evaluated with ABTS (2,2’-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid)diammonium salt) and DPPH (2,2-diphenyl-1-picrylhydrazyl radical) assays. Oregano showed the highest antioxidant activity in all tests used (2.6 mg of gallic acid equivalent (GAE) per mL in the Folin–Ciocalteu test, 4.6 mg Trolox/mL in the ABTS assay, and 3.3 mg Trolox/mL in the DPPH assay) while rosemary had the lowest antioxidant activity (1.2 mg GAE/mL (Folin–Ciocalteu), 1.5 mg Trolox/mL (ABTS), and 1.3 mg Trolox/mL (DPPH)). Apart from antioxidant properties, the content of bioactive compounds was determined with the use of high-performance liquid chromatography–tandem mass spectrometry (LC-MS/MS). It was found that in all tested Lamiaceae herbs and the herbal mixes, rosmarinic acid widely predominates as a major non-volatile phenolic constituent, and its content varies from 1121 µg/g in rosemary to 10,255 µg/g in herbes de Provence. High concentrations were also observed for quinic acid in both oregano and rosemary. Interestingly, the concentrations of rosmarinic acid in the group of herbs studied are positively correlated with the results obtained in the Folin–Ciocalteu, ABTS, and DPPH tests (Spearman’s correlation coefficient 0.7030, 0.6657, and 0.7188, respectively), whereas no such correlation is observed for quinic acid. Overall, the findings indicate that these herbs share a common hydroxycinnamate-based phytochemical framework but display clear species-specific differences reflecting their intrinsic metabolism. Furthermore, the concentration of 3-caffeoylquinic acid in the Sicilian herbs (1021 µg/g) was approximately 10 times higher compared to the samples of Dalmatian herbs, herbes de Provence, and pure herbs, which demonstrates the unique chemical composition of that mixture, including the presence of dried tomatoes and tarragon, which were not included in other tested herbal mixtures. Full article
Show Figures

Graphical abstract

17 pages, 20619 KB  
Article
Revealing Parelle d’Auvergne: LC-MS Characterization of Dyes in a Robe à la Circassienne
by Maria Goretti Mieites Alonso and Elena Basso
Heritage 2026, 9(9), 353; https://doi.org/10.3390/heritage9090353 - 3 Sep 2026
Viewed by 178
Abstract
Rare surviving examples of late eighteenth-century French dress are exceptional. The robe à la circassienne examined in this study is preserved in an unusually intact state, likely due to its small size, which limited its suitability for later wearers, and the rapid shift [...] Read more.
Rare surviving examples of late eighteenth-century French dress are exceptional. The robe à la circassienne examined in this study is preserved in an unusually intact state, likely due to its small size, which limited its suitability for later wearers, and the rapid shift in fashion that further reduced incentives for alteration or reuse. Discrepancies between the garment’s present coloration, early cataloguing records, and a non-matching reproduction petticoat prompted an investigation into its original appearance. The dress features a ground fabric woven with a pink warp and white weft, accented by vertical multicolored stripes. Organic colorants were analyzed using liquid chromatography–diode array detection–quadrupole time-of-flight mass spectrometry (LC-DAD-qToF-MS), and elemental composition was determined by X-ray fluorescence (XRF) spectroscopy. The dark pink stripe contained safflower (Carthamus tinctorius), a highly fugitive dye. The blue and green stripes showed mixtures of weld (Reseda luteola), an indigoid dye (Indigofera spp.), and Brazilwood (Caesalpinia or Haematoxylum spp.), consistent with historical recipes for bronze and wood shades. Brazilwood and an orchil dye detected in the ground fabric suggest an original reddish-purple hue rather than the pale pink visible today. Arsenic found in the pink fabric and trim provides the first material evidence for the French orchil-dyeing process known as Parelle d’Auvergne. By integrating analytical results with historical dye recipes and curatorial records, this study proposes a hypothesis for the garment’s original appearance and demonstrates how combined scientific and historical approaches deepen our understanding of fragile textile artifacts and the factors that shaped their creation and survival. Full article
(This article belongs to the Special Issue Dyes in History and Archaeology 44)
Show Figures

Figure 1

27 pages, 2160 KB  
Review
Quantifying c-di-GMP: A Call for Integration of Biological and Chemical Approaches
by Antoine Augias, Charlotte Nirma, Karine Vallée, Sophie Rodrigues and Yvann Bourigault
Appl. Microbiol. 2026, 6(9), 105; https://doi.org/10.3390/applmicrobiol6090105 - 3 Sep 2026
Viewed by 108
Abstract
Bacteria sense, respond, and adapt to rapidly changing environments through highly sensitive intracellular networks. Among them, cyclic-di-GMP (c-di-GMP) is a well-characterized second messenger controlling the transition from planktonic to sessile lifestyles, making it a key determinant of bacterial adaptation and survival. Two main [...] Read more.
Bacteria sense, respond, and adapt to rapidly changing environments through highly sensitive intracellular networks. Among them, cyclic-di-GMP (c-di-GMP) is a well-characterized second messenger controlling the transition from planktonic to sessile lifestyles, making it a key determinant of bacterial adaptation and survival. Two main approaches have been developed to investigate c-di-GMP dynamics. The first uses biological biosensors for live-cell monitoring of intracellular c-di-GMP through transcriptional reporters, RNA-based sensors, or protein-based sensors. Their main advantage is real-time, spatiotemporal analysis in living cells, although they generally do not provide absolute quantification. The second approach relies on analytical chemistry, particularly liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS), which enables sensitive and accurate quantification of intracellular c-di-GMP across diverse bacterial species. However, the lack of standardized extraction protocols and the need for cell lysis prevent real-time measurements, providing only a snapshot of the total c-di-GMP pool. These approaches are complementary: biosensors reveal dynamic, single-cell responses, whereas LC-MS/MS provides precise global quantification. Nevertheless, most studies rely on only one method, limiting a comprehensive understanding of c-di-GMP biology. Combining both approaches would provide a more integrated view of c-di-GMP signaling and its role in bacterial physiology. Full article
Show Figures

Figure 1

Back to TopTop