PubMed
Exploring the Mechanism of Action of Honeybran-Fried Cimicifuga Rhizoma in the Treatment of IBS-D Based on Metabolomics and Network Pharmacology
Biomed Chromatogr. 2025 May;39(5):e70026. doi: 10.1002/bmc.70026.ABSTRACTHoneybran-fried Cimicifuga Rhizoma (HBCR) is often used to treat prolonged diarrhea and prolapse of the anus, uterine prolapse, and gastric ptosis caused by spleen qi deficiency and the inability to elevate qi, and thus the lowering of middle qi. Rats were divided randomly into four groups. Fecal samples of rats in each group were subjected to metabolomics analysis. We identified the chemical components of HBCR using liquid chromatography-tandem mass spectrometry. We predicted the potential active components and key targets of HBCR using network pharmacology to construct a "drug-potential active ingredient-target-disease" network. The key targets screened by network pharmacology and differential metabolites screened by metabolomics analysis were subjected to combined pathway analysis. Pharmacodynamic indices showed that HBCR had a good therapeutic effect upon IBS-D. Metabolomics analysis revealed 26 differential metabolites in the treatment of IBS-D by HBCR. A total of 69 chemical components were identified, and 32 potential active components and 296 key targets were screened. Combination of metabolomics analysis and network pharmacology for joint pathway analysis revealed that the therapeutic effect of HBCR may be affected by the metabolism of linoleic acid, retinol, arachidonic acid, and tryptophan. HBCR had significant therapeutic effects in rats with IBS-D.PMID:40129176 | DOI:10.1002/bmc.70026
Direct Sampling Mass Spectrometry Analysis for the Assessment of Wounds: A Systematic Review
Int Wound J. 2025 Apr;22(4):e70158. doi: 10.1111/iwj.70158.ABSTRACTMass spectrometry is increasingly utilised in medicine to identify and quantify small biomarkers for diagnostic and prognostic purposes. Conventional mass spectrometry, however, requires time-consuming sample preparation, hindering its clinical application. Direct sampling mass spectrometry, which allows for direct analysis of patient samples with minimal preparation, offers potential for clinical use. This systematic review examines the utility of direct sampling mass spectrometry for the assessment of external wounds and explores its translational applications in wound care. Out of 2 930 screened abstracts, six studies were included employing various direct sampling mass spectrometry technologies. These studies focused on burn wounds (n = 3), pressure ulcers (n = 2), and acute surgical wounds (n = 1). Both targeted and untargeted molecular profiling methods were used to examine biomarkers related to inflammatory and healing processes, including various proteins, lipid species, and other metabolites. Direct sampling mass spectrometry was found to complement conventional methods such as histology, providing additional insights into the spatial localisation and accumulation of metabolites within wounds. Additionally, imaging techniques equipped with this technology can spatially map wound surfaces and reveal dynamic changes in wounds as they age or progress through different healing processes, with specific metabolite and protein accumulations potentially aiding in prognostication.PMID:40129114 | DOI:10.1111/iwj.70158
Drug-Based Lifespan Extension in Mice Strongly Affects Lipids Across Six Organs
Aging Cell. 2025 Mar 24:e14465. doi: 10.1111/acel.14465. Online ahead of print.ABSTRACTCaloric restriction is associated with slow aging in model organisms. Additionally, some drugs have also been shown to slow aging in rodents. To better understand metabolic mechanisms that are involved in increased lifespan, we analyzed metabolomic differences in six organs of 12-month-old mice using five interventions leading to extended longevity, specifically caloric restriction, 17-α estradiol, and caloric restriction mimetics rapamycin, canagliflozin, and acarbose. These interventions generally have a stronger effect in males than in females. Using Jonckheere's trend test to associate increased average lifespans with metabolic changes for each sex, we found sexual dimorphism in metabolism of plasma, liver, gastrocnemius muscle, kidney, and inguinal fat. Plasma showed the strongest trend of differentially expressed compounds, highlighting potential benefits of plasma in tracking healthy aging. Using chemical set enrichment analysis, we found that the majority of these affected compounds were lipids, particularly in male tissues, in addition to significant differences in trends for amino acids, which were particularly apparent in the kidney. We also found strong metabolomic effects in adipose tissues. Inguinal fat exhibited surprising increases in neutral lipids with polyunsaturated side chains in male mice. In female mice, gonadal fat showed trends proportional to lifespan extension effect across multiple lipid classes, particularly phospholipids. Interestingly, for most tissues, we found similar changes induced by lifespan-extending interventions to metabolomic differences between untreated 12-month-old mice and 4-month-old mice. This finding implies that lifespan-extending treatments tend to reverse metabolic phenotypes to a biologically younger stage.PMID:40129070 | DOI:10.1111/acel.14465
Lipid Composition Diversity of the Human Brain White Matter Tracts
J Neurochem. 2025 Mar;169(3):e70042. doi: 10.1111/jnc.70042.ABSTRACTUnderstanding the molecular basis of the structural organization of the human brain may shed light on its functional mechanism. We present spatial lipidomics analysis of human brain sections containing neocortical gray matter and two white matter regions representing two axonal tracks: the cingulum bundle and the corpus callosum. Using matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) we identify lipid composition differences not only between gray and white matter but also between two axonal tracks. Results, obtained with the MALDI-MSI method, correlated with ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) analysis of these brain regions, with Spearman's correlation coefficient equal to 0.48 (the cingulum bundle vs. gray matter), 0.47 (the corpus callosum vs. gray matter), 0.33 (the cingulum bundle vs. the corpos callosum) on 75 lipids annotated in both experiments. Using UPLC-MS/MS analysis, we further identified specific lipid classes that distinguished the two white matter regions (CL, PG, LPE), while gray and white matter comparison yielded well-established differences in lipid composition between myelin-rich and myelin poor regions (CL, DG, Cholesterol). Our findings highlight the significance of in-depth molecular analysis of brain regions and enhance our comprehension of the brain's molecular composition.PMID:40129064 | DOI:10.1111/jnc.70042
Endurance exercise with reduced muscle glycogen content influences substrate utilization and attenuates acute mTORC1- and autophagic signaling in human type I and type II muscle fibers
Skelet Muscle. 2025 Mar 25;15(1):9. doi: 10.1186/s13395-025-00377-3.ABSTRACTBACKGROUND: Exercising with low muscle glycogen content can improve training adaptation, but the mechanisms underlying the muscular adaptation are still largely unknown. In this study, we measured substrate utilization and cell signaling in different muscle fiber types during exercise and investigated a possible link between these variables.METHODS: Five subjects performed a single leg cycling exercise in the evening (day 1) with the purpose of reducing glycogen stores. The following morning (day 2), they performed two-legged cycling at ∼70% of VO2peak for 1 h. Muscle biopsies were taken from both legs pre- and post-exercise for enzymatic analyses of glycogen, metabolite concentrations using LC-MS/MS-based quantification, and protein signaling using Western blot in pools of type I or type II fibers.RESULTS: Glycogen content was 60-65% lower for both fiber types (P < 0.01) in the leg that exercised on day 1 (low leg) compared to the other leg with normal level of glycogen (normal leg) before the cycling exercise on day 2. Glycogen utilization during exercise was significantly less in both fiber types in the low compared to the normal leg (P < 0.05). In the low leg, there was a 14- and 6-fold increase in long-chain fatty acids conjugated to carnitine in type I and type II fibers, respectively, post-exercise. This increase was 3-4 times larger than in the normal leg (P < 0.05). Post-exercise, mTORSer2448 phosphorylation was increased in both fiber types in the normal leg (P < 0.05) but remained unchanged in both fiber types in the low leg together with an increase in eEF2Thr56 phosphorylation in type I fibers (P < 0.01). Exercise induced a reduction in the autophagy marker LC3B-II in both fiber types and legs, but the post-exercise level was higher in both fiber types in the low leg (P < 0.05). Accordingly, the LC3B-II/I ratio decreased only in the normal leg (75% for type I and 87% for type II, P < 0.01).CONCLUSIONS: Starting an endurance exercise session with low glycogen availability leads to profound changes in substrate utilization in both type I and type II fibers. This may reduce the mTORC1 signaling response, primarily in type I muscle fibers, and attenuate the normally observed reduction in autophagy.PMID:40128889 | DOI:10.1186/s13395-025-00377-3
Label-free metabolic fingerprinting of motile mammalian spermatozoa with subcellular resolution
BMC Biol. 2025 Mar 24;23(1):85. doi: 10.1186/s12915-025-02167-1.ABSTRACTBACKGROUND: Sperm metabolic pathways that generate energy for motility are compartmentalized within the flagellum. Dysfunctions in metabolic compartments, namely mitochondrial respiration and glycolysis, can compromise motility and male fertility. Studying these compartments is thus required for fertility treatment. However, it is very challenging to capture images of metabolic compartments in motile spermatozoa because the fast beating of the flagellum introduces motion blur. Therefore, most approaches immobilize spermatozoa prior to imaging.RESULTS: Our findings indicate that immobilizing sperm alters their metabolic profile, highlighting the necessity for measuring metabolism in spermatozoa during movement. We achieved this by encapsulating mouse epididymis in a hydrogel followed by two-photon fluorescence lifetime imaging microscopy for imaging motile sperm in situ. The autofluorescence of endogenous metabolites-FAD, NADH, and NADPH-enabled us to visualize sperm metabolic compartments without staining. We trained machine learning for automated image segmentation and generated metabolic fingerprints using object-based phasor analysis. We show that metabolic fingerprints of spermatozoa and the mitochondrial compartment (1) can distinguish individual males by genetic background, age, or fecundity status, (2) correlate with fertility, and (3) change with age likely due to increased oxidative metabolism.CONCLUSIONS: Our approach eliminates the need for sperm immobilization and labeling and captures the native state of sperm metabolism. This technique could be adapted for metabolism-based sperm selection for assisted reproduction.PMID:40128804 | DOI:10.1186/s12915-025-02167-1
Ancient genomic linkage of α-globin and Nprl3 couples metabolism with erythropoiesis
Nat Commun. 2025 Mar 24;16(1):2749. doi: 10.1038/s41467-025-57683-z.ABSTRACTRed blood cell development from erythroid progenitors requires profound reshaping of metabolism and gene expression. How these transcriptional and metabolic alterations are coupled is unclear. Nprl3 (an inhibitor of mTORC1) has remained in synteny with the α-globin genes for >500 million years, and harbours most of the a-globin enhancers. However, whether Nprl3 serves an erythroid role is unknown. We found that while haematopoietic progenitors require basal Nprl3 expression, erythroid Nprl3 expression is further boosted by the α-globin enhancers. This lineage-specific upregulation is required for sufficient erythropoiesis. Loss of Nprl3 affects erythroblast metabolism via elevating mTORC1 signalling, suppressing autophagy and disrupting glycolysis. Broadly consistent with these murine findings, human NPRL3-knockout erythroid progenitors produce fewer enucleated cells and demonstrate dysregulated mTORC1 signalling in response to nutrient availability and erythropoietin. Therefore, we propose that the anciently conserved linkage of NprI3, α-globin and their associated enhancers has coupled metabolic and developmental control of erythropoiesis.PMID:40128524 | DOI:10.1038/s41467-025-57683-z
Existing food processing classifications overlook the phytochemical composition of processed plant-based protein-rich foods
Nat Food. 2025 Mar 24. doi: 10.1038/s43016-025-01148-5. Online ahead of print.ABSTRACTAccording to existing food processing classification systems, plant-based protein-rich (PBPR) foods are often considered 'ultra-processed'-and therefore perceived as unhealthy-despite their ability to provide various bioactive compounds beneficial for human health. Here we used a non-targeted metabolomics approach to analyse the impact of processing on the biochemical composition of PBPR foods. Our results show that existing food classification systems may provide questionable categories for PBPR foods without considering their overall biochemical composition, including phytochemicals. An analysis focusing specifically on biochemical compounds of soy-based products manufactured using various technologies showed no clear distinctions between processing groups in the principal component analysis based on the NOVA and Poti classification. However, clear differences were found between soy-based products based on their phytochemical profile. Although food processing classification systems are welcome in their attempt to guide consumers towards healthy choices, they should be improved to more accurately reflect the biochemical composition of PBPR foods.PMID:40128334 | DOI:10.1038/s43016-025-01148-5
Corrigendum to "The use of metagenomic and untargeted metabolomics in the analysis of the effects of the Lycium barbarum glycopeptide on allergic airway inflammation induced by Artemesia annua pollen" [J. Ethnopharmacol. (2025) 337(Pt 1) 118816]
J Ethnopharmacol. 2025 Mar 24:119657. doi: 10.1016/j.jep.2025.119657. Online ahead of print.NO ABSTRACTPMID:40128138 | DOI:10.1016/j.jep.2025.119657
Identification of Serum Metabolites to Improve Diagnostic Efficacy in Pulmonary Embolism
J Proteome Res. 2025 Mar 24. doi: 10.1021/acs.jproteome.4c00863. Online ahead of print.ABSTRACTPulmonary embolism (PE) is a life-threatening disease. Our aim was to search for potential biomarkers by using modern high-throughput metabolomics methods to improve diagnostic efficacy. The discovery cohort included 60 participants, including 30 PE patients and 30 healthy individuals. The validation cohort included 40 participants, including 20 PE patients and 20 healthy individuals. Gas chromatography-mass spectrometry (GC-MS) was combined with multivariate data analysis to determine serum metabolic profiles in patients with PE and healthy controls. The distribution of metabolic profiles in the two cohorts was assessed by unsupervised principal component analysis (PCA) and supervised partial least-squares discriminant analysis (PLS-DA). Sixteen metabolites were initially selected from the ranked variable of predictive importance (VIP) scores and applied to the correlation analysis of PE-related clinical indicators. Four metabolites that were correlated with D-dimer levels were selected, including l-tryptophan, N-alpha-acetyl-l-lysine, dopamine, and N2-acetylornithine. Finally, the AUC values were calculated to be 0.958 (95% CI: 0.9072-1) for the combined biomarker panel, including the 4 specific metabolites in the discovery cohort, and 0.963 (95% CI: 0.9122-1) in the validation cohort. The results suggest that these four specific metabolites can be used as diagnostic biomarkers to improve diagnostic efficacy in pulmonary embolism.PMID:40128110 | DOI:10.1021/acs.jproteome.4c00863
Recruitment Strategies for a Nonhospital-Based Academic Rare Disease Biobank in South Africa
Biopreserv Biobank. 2025 Mar 24. doi: 10.1089/bio.2024.0140. Online ahead of print.ABSTRACTIntroduction: Rare disease research in South Africa (SA) faces significant challenges, including limited prioritization and awareness, which hinder advancements in patient care and scientific discovery. This article explores the recruitment strategies employed by the Centre for Human Metabolomics (CHM) Biobank, a nonhospital-based academic rare disease biobank, to address these challenges. Methods: We explain the consent process and documents as well as the three recruitment models employed, namely (1) Recruitment via referring clinician, (2) implementation of monthly diagnostic follow-up sessions, and (3) recruitment of patients for specific projects through clinic-based recruitment drives. Discussion: We discuss the benefits as well as the challenges of each model. Challenges included clinician and patient time constraints, distrust from current consent practices, and limited public awareness. We elaborate on future strategies to address these gaps such as simplifying consent, expanding recruitment sites, collaborating with clinical, academic and public institutions, and raising public awareness of the role of the CHM Biobank. Conclusions: From the models employed over the past 5 years, it is evident that recruitment is most effective when patients perceive a direct benefit, such as involvement in active projects. These strategies outlined in the discussion are crucial for ensuring the CHM Biobank's sustainability, diversity, and its impact on scientific research and patient outcomes in SA.PMID:40127998 | DOI:10.1089/bio.2024.0140
Elucidating the antiviral effects of a novel compound throat anti-viral through metabolomics and network pharmacology: A study on infectious bronchitis virus in poultry
Poult Sci. 2025 Mar 1;104(5):104956. doi: 10.1016/j.psj.2025.104956. Online ahead of print.ABSTRACTInfectious bronchitis virus (IBV) is a major pathogen that causes significant economic losses in the global poultry industry. Current vaccination strategies provide only partial protection, highlighting the need for more effective prevention and treatment methods. This study aimed to develop a novel compound throat anti-viral (CTA) from natural plants using data from the Traditional Chinese Medicine Inheritance System and identification through liquid chromatography-mass spectrometry. CTA demonstrated substantial anti-IBV effects both in vitro and in vivo studies. In vitro, CTA significantly inhibited IBV multiplication and alleviated the pathological lesions in chicken embryonic kidney cells, tracheal rings, and chicken embryos. In vivo, a seven-day treatment with CTA obtained much milder clinical signs, enhanced growth performance, and better immune organ indices in infected chickens. Additionally, CTA treatment reduced IBV levels in the trachea and lungs and increased specific antibody titers. CTA also maintained body homeostasis, exhibiting strong antioxidant and anti-inflammatory properties that mitigated respiratory tract damage. Metabolomics and network pharmacology analyses, revealed that CTA's antiviral effects are mediated through the FoxO signaling pathway. This study successfully developed an effective prescription database based on the Traditional Chinese Medicine Inheritance System and validated the antiviral efficacy of CTA through comprehensive in vitro and in vivo experiments. The findings elucidated the mechanisms of CTA's action, particularly through the FoxO signaling pathway, and highlighted its potential for clinical application as a novel antiviral treatment for IBV in the poultry industry.PMID:40127563 | DOI:10.1016/j.psj.2025.104956
Detoxification Strategy of Titanium Oxide Nanoparticles Driving Endogenous Molecules Metabolism to Modulate Atrazine Conversion in <em>Lactuca sativa</em> L
Environ Sci Technol. 2025 Mar 24. doi: 10.1021/acs.est.4c12333. Online ahead of print.ABSTRACTNanoparticles (NPs) exhibit the potential to enhance plant tolerance to organic pollutant stress, but how they drive endogenous molecules to detoxify contaminants remains to be further investigated. This study clarified the modulatory mechanisms by which foliar or root application of biosynthesized titanium oxide NPs (g-nTiO2) alleviated atrazine (ATZ) toxicity to Lactuca sativa L. Compared with the ATZ-alone group, 10 mg/L g-nTiO2 intensified light-harvesting, photoelectron transfer, and reduced oxidative damage, thereby improving growth and inducing metabolic reprogramming. Specifically, g-nTiO2 activated pathways related to energy supply and defense detoxification, while stabilizing membrane lipid and nitrogen metabolism. Furthermore, the modulation of biomarkers involved in balancing cellular homeostasis and stimulating growth by g-nTiO2 ultimately boosted lettuce resistance to ATZ and physiological performance. Molecular docking analysis revealed that g-nTiO2 enhanced the Phase II metabolism of ATZ by glutathione and amino acids through increasing detoxification enzyme activities by 23-44%, which confirmed the driving role of NPs in alleviating ATZ phytotoxicity to lettuce. Collectively, these findings provide a prospective nanoenabled strategy for mitigating crop sensitivity to pesticide residues for safe and sustainable agricultural production.PMID:40127405 | DOI:10.1021/acs.est.4c12333
Integrative proteomic and lipidomic analysis of GNB1 and SCARB2 knockdown in human subcutaneous adipocytes
PLoS One. 2025 Mar 24;20(3):e0319163. doi: 10.1371/journal.pone.0319163. eCollection 2025.ABSTRACTObesity, a global public health concern, is influenced by various factors, including genetic predispositions. Although many obesity-associated genes have been identified through genome-wide association studies (GWAS), the molecular mechanisms linking these genes to adipose tissue function remain largely unexplored. This study integrates proteomic data on adipocyte fat accumulation with GWAS data on obesity to unravel the roles of the identified key candidate genes - G protein subunit beta 1 (GNB1) and scavenger receptor class B member 2 (SCARB2) - involved in fat accumulation. We utilized RNA interference to knock down GNB1 and SCARB2 in human subcutaneous adipocytes, followed by lipidome and proteome analyses using mass spectrometry. Knockdown of these genes resulted in a reduction in lipid droplet accumulation, indicating their role in adipocyte lipid storage. Digital PCR confirmed effective gene knockdown, with GNB1 and SCARB2 mRNA levels significantly reduced. In total, the lipidomic analysis identified 96 lipid species with significant alterations. GNB1 knockdown resulted in a decrease in cholesterol esters and an increase in phosphatidylcholines, phosphatidylinositols, and ceramides. SCARB2 knockdown also led to an increase in phosphatidylcholines, with a trend towards decreased triacylglycerols. Proteomic analysis revealed significant changes in proteins involved in lipid metabolism and adipocyte function, including PLPP1 and CDH13, which were upregulated following GNB1 knockdown, and HSPA8, which was downregulated. Conversely, SCARB2 knockdown resulted in the downregulation of PLPP1 and METTL7A, and the upregulation of PLIN2, HSPA8, NPC2, and SQSTM1. Our findings highlight the significant roles of GNB1 and SCARB2 in lipid metabolism and adipocyte function, providing insights that could inform therapeutic strategies targeting these regulatory genes in obesity.PMID:40127054 | DOI:10.1371/journal.pone.0319163
Divergent control of seed germination by cytokinins in weedy broomrapes and witchweeds
Plant Cell Physiol. 2025 Mar 24:pcaf032. doi: 10.1093/pcp/pcaf032. Online ahead of print.ABSTRACTBroomrapes (Phelipanche and Orobanche spp.) and witchweeds (Striga spp.) are parasitic weeds that are increasingly threatening crops worldwide. Seeds of these species rely on host-derived signals such as strigolactones to germinate. While cytokinins were also reported as germination inducers of witchweeds, their role during germination of broomrapes remains unexplored. Our study shows that some but not all cytokinins stimulate Striga hermonthica germination independently of strigolactones, and that high concentrations of bioactive cytokinins trigger Striga seedlings to differentiate into fully extruded embryo-like structures. In contrast, cytokinin free bases but not ribosylated or glycosylated conjugates are extremely potent inhibitors of broomrapes germination. Germination inhibition upon the cytokinin signaling inhibitor PI-55 and inhibitor of cytokinin degradation INCYDE suggest that the cytokinin perception and degradation machinery is conserved in parasitic weeds. In Phelipanche ramosa, gene expression analyses combined with targeted quantification of cytokinin contents revealed that strigolactones first induce an increase in ABA catabolism, then a modification of the cytokinin endogenous pool in favor of inactive conjugates. Overall, this study provides valuable insights into the hormonal interplay governing seed germination in broomrapes and witchweeds, paving the way for future studies aimed at developing novel strategies for parasitic weed control.PMID:40126921 | DOI:10.1093/pcp/pcaf032
Urinary excretion of low- and no-calorie sweeteners (LNCS) and associated food sources, as observed in the German cross-sectional KarMeN-study
Eur J Nutr. 2025 Mar 24;64(3):136. doi: 10.1007/s00394-025-03644-7.ABSTRACTPURPOSE: We aimed to quantify urinary excretion of LNCS (Low- and No-Calorie Sweeteners) and to identify LNCS-associated food consumption in Germany, with special emphasis on exposure to combinations of different LNCS.METHODS: UPLC-MS/MS was used to quantify LNCS metabolites in 24-hour urine samples of 301 participants from the cross-sectional KarMeN (Karlsruhe Metabolomics and Nutrition) study. Dietary data were assessed via 24 h recall. Spearman rank correlation analysis and multiple linear regression models were used to investigate food groups that contribute to LNCS exposure.RESULTS: Based on the number of samples with quantifiable urinary concentrations and the absolute excretion within a day, cyclamate (88% of samples), saccharin (44%), acesulfame (35%), and aspartame (32%) were most commonly consumed. The consumption of specific food groups, such as table sweeteners, light soft drinks, Radler, protein shakes, and stevia sweeteners, accounted for significant variations in urinary concentrations. Specific combinations of LNCS were observed for these food groups, as well as a considerable exploitation of LNCS-specific ADI (acceptable daily intake).CONCLUSION: Individuals who consume high amounts of specific LNCS-containing, processed foods are exposed to a notable mix of various LNCS. Since data on associations between mixed LNCS exposure and health are lacking, it is an urgent issue to evaluate the potential risks of consuming combinations of diverse LNCS rather than conducting risk assessments of single LNCS.PMID:40126691 | DOI:10.1007/s00394-025-03644-7
A Platform Approach for Designing Sustainable Indole Thiosemicarbazone Corrosion Inhibitors with Enhanced Adsorption Properties
Langmuir. 2025 Mar 24. doi: 10.1021/acs.langmuir.5c00183. Online ahead of print.ABSTRACTWith an estimated global cost of $2.5 trillion per year, metal corrosion represents a major challenge across all industrial sectors. Numerous inorganic and organic corrosion inhibitors have been developed, but there are growing concerns about their toxicity and impact on the environment. Here, superior organic corrosion inhibitors based on indole-3-carboxaldehyde, a compound commonly found in the digestive system, and thiosemicarbazones, a safe class of ligands, were designed and studied for mild steel in pH 1 sulfuric acid solutions. Electroanalytical techniques and gravimetric tests revealed inhibition efficiencies as high as 98.9% at 30 °C. Models using Langmuir isotherms gave adsorption equilibrium constants Kads of 2 to 9 × 104 M-1 and corresponding Gibbs free energies of adsorption (ΔGads) as high as -41.44 kJ mol-1, indicating their chemisorption. SEM images confirmed the efficacy of these corrosion inhibitors, as surface features showed limited to no changes after tests. Surface analysis by XPS and LC-MS revealed inhibitor concentrations on the order of 0.7 to 1.8 μg cm-2 for the best compounds, further underlining their performance at low concentrations. Mapping of the surface by MALDI-MS further confirmed the homogeneous coating of the steel surface, with no visible fluctuations in concentrations. As all inhibitors shared the same indole thiosemicarbazone platform, unique structure-performance relationships were drawn from theoretical calculations. Notably, DFT and AIMD explained the differences in performance, highlighting the role of side groups in the distribution of the molecular orbitals and the role of water molecules in enhancing the electronic properties of the organic corrosion inhibitors and promoting their chemisorption.PMID:40126529 | DOI:10.1021/acs.langmuir.5c00183
Urinary Metabolomics of Plastic Manufacturing Workers: A Pilot Study
J Xenobiot. 2025 Mar 4;15(2):39. doi: 10.3390/jox15020039.ABSTRACTThe plastic manufacturing industry has a crucial role in the global economy with a significant impact in a wide range of fields. The chemical risk to which workers are potentially exposed is difficult to characterize and strictly related to both the products and processes adopted. Among the chemicals used, we can cite styrene, phenol, butadiene and phthalates, but nano- and microplastic particles can also be released in the work environment. In this pilot study, we present for the first time an NMR-based metabolomic approach for assessing urinary profiles of workers employed in a plastic manufacturing company. Urine samples from twelve workers and thirteen healthy volunteers were collected and analyzed by NMR spectroscopy. Forty-six urinary metabolites belonging to different chemical classes were univocally identified and quantified. The dataset so obtained was then subjected to multivariate statistical analysis to characterize each profile and highlight any differences. An alteration in some metabolites involved in several pathways, such as amino acid metabolism and NAD metabolism, was found, and a strong impact on gut microflora was also speculated. Ultimately, our work has the objective of adding a tile to the knowledge of biological effects possibly related to occupational exposure even if it is below the threshold limit values.PMID:40126257 | DOI:10.3390/jox15020039
Standard mouse diets lead to differences in severity in infectious and non-infectious colitis
mBio. 2025 Mar 24:e0330224. doi: 10.1128/mbio.03302-24. Online ahead of print.ABSTRACTClostridioides difficile infects the large intestine and can result in debilitating and potentially fatal colitis. The intestinal microbiota is a major factor influencing the severity of disease following infection. Factors like diet that shape microbiota composition and function may modulate C. difficile colitis. Here, we report that mice fed two distinct standard mouse chows (LabDiet 5010 and LabDiet 5053) exhibited significantly different susceptibility to severe C. difficile infection. Both diets are grain-based with comparable profiles of macro and micronutrient composition. Diet 5010-fed mice had severe morbidity and mortality compared to Diet 5053-fed mice despite no differences in C. difficile colonization or toxin production. Furthermore, Diet 5053 protected mice from toxin-induced epithelial damage. This protection was microbiota-dependent as germ-free mice or mice harboring a reduced diversity microbiota fed Diet 5053 were not protected from severe infection. However, cohousing with mice harboring a complex microbiota restored the protective capacity of Diet 5053 but not Diet 5010. Metabolomic profiling revealed distinct metabolic capacities between Diet 5010- and Diet 5053-fed intestinal microbiotas. Diet 5053-mediated protection extended beyond C. difficile infection as Diet 5053-fed mice displayed less severe dextran sodium sulfate-induced colitis than Diet 5010-fed mice, highlighting a potentially broader capacity for Diet 5053 to limit colitis. These findings demonstrate that standard diet formulations in combination with the host microbiota can drive variability in severity of infectious and non-infectious murine colitis systems, and that diet holds therapeutic potential to limit the severity of C. difficile infection through modulating the functional capacity of the microbiota.IMPORTANCEDiet is a major modulator of the microbiota and intestinal health. This report finds that two different standard mouse diets starkly alter the severity of colitis observed in a pathogen-mediated (Clostridioides difficile) and non-infectious (dextran sodium sulfate) mouse colitis experimental systems. These findings in part explain study-to-study variability using these mouse systems to study disease. Since the gut microbiota plays a key role in intestinal homeostasis, diet-derived modulation of the microbiota is a promising avenue to control disease driven by intestinal inflammation and may represent a potential intervention strategy for at-risk patients.PMID:40126017 | DOI:10.1128/mbio.03302-24
Advancements in Nanomaterials and Molecular Probes for Spatial Omics
ACS Nano. 2025 Mar 24. doi: 10.1021/acsnano.4c18470. Online ahead of print.ABSTRACTSpatial omics is emerging as a focus of life sciences because of its applications in investigating the molecular mechanisms of cancer, mapping cellular distributions, and revealing specific cellular ecological niches. Notably, the in-depth acquisition of spatial omics information relies on highly sensitive, high-resolution, and high-throughput biological analysis tools and techniques. However, conventional methods of omics data acquisition still suffer from some drawbacks such as limited-resolution and low-throughput and are difficult to adapt directly to the collection of high-quality spatial omics data. Recently, an increasing number of advanced nanomaterials and molecular probes are employed in spatial omics due to their excellent optoelectronic properties, biocompatibility, and multifunction. These well-designed innovative nanoscaffolds successfully enhance the key parameters of spatial omics and, thus, increase the spatial resolution, detection sensitivity, and detection throughput. This review summarizes the design and application of functional nanoscaffolds for spatial omics in recent years, with a particular emphasis on nanomaterials and molecular probes. We believe that the present review can inspire and motivate researchers in designing and selecting appropriate materials and probes for high-quality spatial omics, thus promoting the development of spatial omics and life sciences.PMID:40125910 | DOI:10.1021/acsnano.4c18470