RESUMEN

Chemicals from packaging materials might be transferred into food resulting in consumer exposure. Identifying these migrated chemicals is highly challenging and crucial to perform their safety assessment, usually starting by the understanding of the chemical composition of the packaging material itself. This study explores the use of the Molecular Networking (MN) approach to support identification of the extracted chemicals. Two formulations of bioplastics were analyzed using Liquid Chromatography hyphenated to High-Resolution Mass Spectrometry. Data processing and interpretation using a conventional manual method was performed as a point of comparison to understand the power of MN. Interestingly, only the MN approach facilitated the identification of unknown chemicals belonging to a novel oligomer series containing the azelaic acid monomer. The MN approach provided a faster visualization of chemical families in addition to the highlight of unrelated chemicals enabling to prioritize chemicals for further investigation improving the safety assessment of packaging materials.

Asunto(s)

Embalaje de Alimentos , Embalaje de Alimentos/instrumentación , Contaminación de Alimentos/análisis , Espectrometría de Masas , Cromatografía Líquida de Alta Presión

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This study investigated environmental distribution and human exposure of polycyclic aromatic hydrocarbons (PAHs) and their derivatives in one Chinese petroleum refinery facility. It was found that, following with high concentrations of 16 EPA PAHs (∑Parent-PAHs) in smelting subarea of studied petroleum refinery facility, total derivatives of PAHs [named as XPAHs, including nitro PAHs (NPAHs), chlorinated PAHs (Cl-PAHs), and brominated PAHs (Br-PAHs)] in gas (mean= 1.57 × 104 ng/m3), total suspended particulate (TSP) (mean= 4.33 × 103 ng/m3) and soil (mean= 4.37 × 103 ng/g) in this subarea had 1.76-6.19 times higher levels than those from other subareas of this facility, surrounding residential areas and reference areas, indicating that petroleum refining processes would lead apparent derivation of PAHs. Especially, compared with those in residential and reference areas, gas samples in the petrochemical areas had higher ∑NPAH/∑PAHs (mean=2.18), but lower ∑Cl-PAH/∑PAHs (mean=1.43 × 10-1) and ∑Br-PAH/∑PAHs ratios (mean=7.49 × 10-2), indicating the richer nitrification of PAHs than chlorination during petrochemical process. The occupational exposure to PAHs and XPAHs in this petroleum refinery facility were 24-343 times higher than non-occupational exposure, and the ILCR (1.04 × 10-4) for petrochemical workers was considered to be potential high risk. Furthermore, one expanded high-resolution screening through GC Orbitrap/MS was performed for soils from petrochemical area, and another 35 PAHs were found, including alkyl-PAHs, phenyl-PAHs and other species, indicating that profiles and risks of PAHs analogs in petrochemical areas deserve further expanded investigation.

Asunto(s)

Monitoreo del Ambiente , Petróleo , Hidrocarburos Policíclicos Aromáticos , Hidrocarburos Policíclicos Aromáticos/análisis , China , Petróleo/análisis , Humanos , Industria del Petróleo y Gas , Exposición a Riesgos Ambientales/análisis , Contaminantes Atmosféricos/análisis , Medición de Riesgo

RESUMEN

Humankind are being exposed to a cocktail of chemicals, such as chemicals released from plastic food packaging. It is of great importance to evaluate the prevalence of plastic food packaging-derived chemicals pollution along the flow of food-human. We developed a robust and practical database of 2101 chemical features associated with plastic food packaging that combined data from three sources, 925 of which were acquired from non-target screening of chemical extracts from eight commonly used plastic food packaging materials. In this database, 625 features, especially half of the non-targets, were potential migrants who likely entered our bodies through dietary intake. Biomonitoring analysis of plastic chemical features in foodstuffs or human serum samples showed that approximately 78 % of the 2101 features were detectable and approximately half were non-targets. Of these, 17 plastic chemicals with high detection frequencies (DFs) in the human serum were confirmed to be functional chemical additives. Together, our work indicates that the number of plastic chemicals in our bodies could be far greater than previously recognized, and human exposure to plastic chemicals might pose a potential health risk.

RESUMEN

BACKGROUND: Soybean meal yogurt was prepared from soybean meal using papain and Bifidobacterium animalis subsp. lactis. A non-targeted metabolomics approach was employed to analyze the relevance of papain to the differences in volatile and non-volatile metabolites of soybean meal yogurt. RESULTS: The results showed that the main up-regulated metabolites and metabolic pathways after enzymatic digestion were dominated by amino acids and their derivatives. Conversely, the main down-regulated metabolites and pathways were predominantly associated with flavonoid metabolism. Amino acids and their derivatives, as well as flavonoids, were found to be highly correlated with the formation of sweet, umami, astringent, and bitterness. The addition of papain enriched the content of aromatic compounds in soybean meal yogurt. Aromatic components such as 2-heptanone, naphthalene, and p-xylene increased in concentration. Synthetic peptide of aspartate and serine, gramine, geissospermine, N-desmethyl vinblastine, and 3,7-dihydroxyflavone were the major non-volatile differential metabolites distinguishing the soybean meal yogurt. CONCLUSION: This study provided a comprehensive analysis of the metabolic traits of products co-fermented by papain and Bifidobacterium animalis subsp. lactis, offering insights for the application of papain in fermented goods. © 2024 Society of Chemical Industry.

RESUMEN

Ofloxacin (OFL), one of the most widely used fluoroquinolone antibiotics, has been frequently detected in marine environments. Nonetheless, researchers are yet to focus on the effects of OFL on the benthos. In the present study, marine clams (Ruditapes philippinarum) were exposed to OFL (0.5, 50, and 500 µg/L) for 14 d, followed by a 7 d depuration period. The accumulation of OFL, antioxidative defense responses, neurotoxicity, burrowing behavior, and metabolomic changes in clams were evaluated. The results indicated that OFL could accumulate in clams, albeit with a low bioaccumulation capacity. The intermediate (50 µg/L) and high (500 µg/L) levels of OFL induced significant antioxidative responses in the gills and digestive glands of clams, mainly manifesting as the inhibition of catalase activities and the induction of superoxide dismutase and glutathione S-transferase activities, which ultimately elevated the content of malondialdehyde, causing oxidative damage. Furthermore, the significant induction of acetylcholinesterase activities was observed, coinciding with a significant increase in burrowing rates of clams. The high level of OFL affected glycerophospholipid, arachidonic acid, steroid hormone biosynthesis, unsaturated fatty acids biosynthesis, and glycolysis/glycogenesis metabolism. In conclusion, this study has contributed to the understanding of the physiological and biochemical effects and molecular toxicity mechanisms of OFL to marine bivalves.

RESUMEN

Recent advances in fluoropolymer polymerization have focused on replacing perfluorinated polymerization aids (PAs) with hydrocarbon-based alternatives. Hydrocarbon PAs are vulnerable to fluorinated radicals during polymerization, leading to the creation of hundreds of process-specific polyfluorinated residuals. These residuals, which include low molecular weight extractable or leachable impurities, are challenging to detect at trace levels. This study investigates a polytetrafluoroethylene (PTFE) dispersion prepared with a hydrocarbon-based surfactant (DOSS) to measure these process-specific fluorinated residues. Liquid chromatography high resolution mass spectrometry is one of the few analytical methods that offers the sensitivity and selectivity required to detect these residuals in complex matrices at concentrations as low as parts per billion. The results indicate that using a hydrocarbon PA during emulsion polymerization produces numerous polyfluorinated residuals. These must be identified and monitored to develop effective abatement strategies, ensuring responsible fluoropolymer manufacturing.

RESUMEN

Pulsed light is an emerging technique in plant physiology recognized for its ability to enhance germination and accumulate γ-aminobutyric acid in maize. Pulsed light involves exposing plants to brief, high-intensity bursts of light, which can enhance photosynthesis, improve growth, and increase resistance to environmental stresses. Despite its promising potential, the specific metabolic changes leading to γ-aminobutyric acid enrichment in maize induced by pulsed light are not fully understood. This study addresses this gap by quantifying key nutrients and γ-aminobutyric acid-related compounds during maize germination and investigating the underlying mechanisms using non-targeted metabolomics. Our findings indicate that pulsed light significantly promotes maize germination and accelerates the hydrolysis of proteins, sugars, and lipids. This acceleration is likely due to the activation of enzymes involved in these metabolic pathways. Additionally, pulsed light markedly increases the content of glutamic acid and the activity of glutamate decarboxylase, which are crucial for γ-aminobutyric acid synthesis. Moreover, pulsed light significantly reduces the activity of γ-aminobutyric transaminase, thereby inhibiting γ-aminobutyric acid decomposition and resulting in a substantial increase in γ-aminobutyric acid content, with a 27.20% increase observed in germinated maize following pulsed light treatment. Metabolomic analysis further revealed enrichment of metabolic pathways associated with γ-aminobutyric acid, including amino acid metabolism, carbohydrate metabolism, plant hormone signal transduction, energy metabolism, pyrimidine metabolism, and ABC transporters. In conclusion, pulsed light is a robust and efficient method for producing sprouted maize with a high γ-aminobutyric acid content. This technique provides a novel approach for developing sprouted cereal foods with enhanced nutritional profiles, leveraging the physiological benefits of γ-aminobutyric acid, which include stress alleviation and potential health benefits for humans.

RESUMEN

BACKGROUND: Within the plant kingdom, there is an exceptional amount of chemical diversity that has yet to be annotated. It is for this reason that non-targeted analysis is of interest for those working in novel natural products. To increase the number and diversity of compounds observable in root exudate extracts, several workflows which differ at three key stages were compared: 1) sample extraction, 2) chromatography, and 3) data preprocessing. RESULTS: Plants were grown in Hoagland's solution for two weeks, and exudates were initially extracted with water, followed by a 24-h regeneration period with subsequent extraction using methanol. Utilizing the second extraction showed improved results with less ion suppression and reduced retention time shifting compared to the first extraction. A single column method, utilizing a pentafluorophenyl column, paired with high-resolution mass spectrometry ionized and correctly identified 34 mock root exudate compounds, while the dual column method, incorporating a pentafluorophenyl column and a porous graphitic carbon column, retained and identified 43 compounds. In a pooled quality control sample of exudate extracts, the single column method detected 1,444 compounds. While the dual method detected fewer compounds overall (1,050), it revealed a larger number of small polar compounds. Three preprocessing methods (targeted, proprietary, and open source) successfully identified 43, 31, and 38 mock root exudate compounds to confidence level 1, respectively. SIGNIFICANCE: Enhancing signal strength and analytical method stability involves removing the high ionic strength nutrient solution before sampling root exudate extracts. Despite signal intensity loss, a dual column method enhances compound coverage, particularly for small polar metabolites. Open-source software proves a viable alternative for non-targeted analysis, even surpassing proprietary software in peak picking.

Asunto(s)

Espectrometría de Masas , Raíces de Plantas , Raíces de Plantas/química , Espectrometría de Masas/métodos , Exudados de Plantas/química , Cromatografía Líquida de Alta Presión/métodos

RESUMEN

Camel milk is a nutrient-rich diet and fermentation affects its nutritional value and probiotic function. In this study, sour camel milk and oat jujube sour camel milk were prepared using fermentation bacteria agent TR1, and the metabolites of camel milk, sour camel milk and oat jujube sour camel milk were detected using a non-targeted metabolomics approach using liquid chromatography-mass spectrometry (LC-MS).The results showed that the partial least squares discriminant analysis (PLS-DA) with 100 % accuracy and good predictive power detected 343 components in positive ion mode and 220 components in negative ion mode. The differential metabolites were mainly organic acids, amino acids, esters, vitamins and other substances contained in camel milk.It showed that there were significant differences in the metabolites of camel milk, sour camel milk and oat jujube sour camel milk. Based on the pathway enrichment analysis of the three dairy products in the KEGG database, 12 metabolic pathways mainly involved in the positive ion mode and 20 metabolic pathways mainly involved in the negative ion mode were identified. The main biochemical metabolic pathways and signal transduction pathways of the differential metabolites of the three dairy products were obtained. This study provides theoretical support for improving the nutritional quality and probiotic function of camel milk and fermented camel milk products and provides a basis for the development of relevant processing technologies and products for camel milk and fermented camel milk.

RESUMEN

INTRODUCTION: European aspen (Populus tremula L.) knotwood contains large amounts of polyphenolic metabolites, mainly flavonoids, and can be considered as a promising industrial-scale source of valuable bioactive compounds. Valorization of knotwood extractives requires detailed information on their chemical composition and a relevant analytical methodology. OBJECTIVE: This study proposes combined analytical strategy for non-targeted screening and identification of polyphenolic plant metabolites and is aimed at comprehensive characterization of knotwood extractives. MATERIALS AND METHODS: Aspen knotwood acetone extract with determined antioxidant activity was an object of the study. Two-dimensional NMR spectroscopy with Structure Elucidator expert system was used for preliminary search of major components and specific structures. Liquid chromatography-high-resolution mass spectrometry (HPLC-HRMS) with data-dependent MS/MS spectra acquisition was used as a complementary technique providing molecular-level characterization and identification of the detected metabolites. RESULTS: Twenty-eight phenolic metabolites were found and identified. Among them, flavonoids, aromadendrin and naringenin, as well as their glycosylated derivatives (mainly O-glucosides) and methyl ethers, dominated. Taxifolin and its 7-O-glucoside were detected as minor components. Other detected compounds are represented by p-coumaric acid and its rutinoside and small amounts of glycosylated ferulic acid. Nineteen of the detected compounds were discovered in aspen knotwood for the first time. The results were confirmed by preparative isolation of individual compounds and NMR studies. CONCLUSION: The proposed analytical strategy based on 2D NMR and HPLC-HRMS can be considered a powerful tool in the analysis of plant extractives and allowed for the identification and semi-quantification of a large number of polyphenols in aspen knotwood.

RESUMEN

Aristolochic acid nephropathy (AAN) is a rapidly progressive kidney disease caused by medical or environmental exposure to aristolochic acids (AAs). This study aimed to identify serum metabolites associated with the severity of acute AAN and investigate the underlying mechanisms. Male C57BL/6 mice were treated with vehicle and 3 doses of aristolochic acid I (AAI) (1.25, 2.5, and 5 mg/kg/d) for 5 days by intraperitoneal injection. The results showed that AAI dose-dependently increased blood urea nitrogen (BUN) and serum creatinine (Scr) levels and renal pathological damage. Non-targeted metabolomics revealed that differences in serum metabolite profiles from controls increased with increasing AAI doses. Compared with the control group, 56 differentially expressed metabolites (DEMs) that could be affected by all 3 doses of AAI were obtained. We further identified 13 DEMs whose abundance significantly correlated with Scr and BUN levels and had good predictive values for diagnosing AAI exposure. Among the 13 DEMs, lipids and lipid-like molecules constituted the majority. Western blotting found that AAI suppressed renal fatty acid oxidation (FAO)-related enzymes expression. In conclusion, these findings provided evidence for developing biomarkers for monitoring AAs exposure and AAN diagnosis and indicated activation of FAO as a potential direction for the treatment of AAN.

Asunto(s)

Ácidos Aristolóquicos , Biomarcadores , Ratones Endogámicos C57BL , Ácidos Aristolóquicos/toxicidad , Animales , Masculino , Biomarcadores/sangre , Riñón/efectos de los fármacos , Riñón/metabolismo , Riñón/patología , Enfermedades Renales/inducido químicamente , Enfermedades Renales/sangre , Enfermedades Renales/patología , Nitrógeno de la Urea Sanguínea , Metabolómica , Ratones , Creatinina/sangre , Relación Dosis-Respuesta a Droga , Índice de Severidad de la Enfermedad , Modelos Animales de Enfermedad

RESUMEN

INTRODUCTION: In this study, the molecular mechanisms through which Lascorbate (Vitamin C) potentially treats Chronic Obstructive Pulmonary Disease (COPD) were identified. A non-targeted metabolomics analysis revealed metabolic disorders and significantly reduced levels of L-ascorbate in COPD patients compared to healthy subjects. METHOD: The COPD rat model was established by exposing them to Cigarette Smoke (CS). The L-ascorbate intervention reduced lung inflammation and histological damage in COPD rat models. Network pharmacology analysis revealed 280 common targets between L-ascorbic acid (drug) and COPD (disease), of which seven core targets were MMP3, MME, PCNA, GCLC, SOD2, EDN1, and EGF. According to molecular docking prediction, L-ascorbate had the highest affinity with EGF. Molecular dynamics simulation indicated relatively stable EGF and L-ascorbate complexes. RESULTS: The PI3K/AKT signaling pathway was significantly enriched in the Kyoto Encyclopedia of Genes and Genomes (KEGG) functional analysis. CONCLUSION: Finally, the in vivo and in vitro experiments confirmed that L-ascorbate affected COPD by regulating the EGF/PI3K/AKT pathway. In summary, based on network pharmacology and molecular docking analyses, this study revealed that L-ascorbate affects COPD development by regulating the PI3K/AKT signaling pathway through EGF, and thus contributes to the understanding and clinical application of Lascorbate in the treatment of COPD.

RESUMEN

OBJECTIVES: To screen biomarkers for forensic identification of acute myocardial infarction (AMI) by non-targeted metabolomic studies on changes of urine metabolites in rats with AMI. METHODS: The rat models of the sham surgery group, AMI group and hyperlipidemia + acute myocardial infarction (HAMI) group were established. Ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS) was used to analyze the changes of urine metabolic spectrometry in AMI rats. Principal component analysis, partial least squares-discriminant analysis, and orthogonal partial least squares-discriminant analysis were used to screen differential metabolites. The MetaboAnalyst database was used to analyze the metabolic pathway enrichment and access the predictive ability of differential metabolites. RESULTS: A total of 40 and 61 differential metabolites associated with AMI and HAMI were screened, respectively. Among them, 22 metabolites were common in both rat models. These small metabolites were mainly concentrated in the niacin and nicotinamide metabolic pathways. Within the 95% confidence interval, the area under the curve (AUC) values of receiver operator characteristic curve for N8-acetylspermidine, 3-methylhistamine, and thymine were greater than 0.95. CONCLUSIONS: N8-acetylspermidine, 3-methylhistamine, and thymine can be used as potential biomarkers for AMI diagnosis, and abnormal metabolism in niacin and nicotinamide may be the main causes of AMI. This study can provide reference for the mechanism and causes of AMI identification.

Asunto(s)

Biomarcadores , Modelos Animales de Enfermedad , Metabolómica , Infarto del Miocardio , Animales , Infarto del Miocardio/metabolismo , Infarto del Miocardio/orina , Ratas , Metabolómica/métodos , Masculino , Biomarcadores/orina , Biomarcadores/metabolismo , Cromatografía Líquida de Alta Presión , Ratas Sprague-Dawley , Análisis de Componente Principal , Análisis Discriminante , Espectrometría de Masas/métodos , Niacina/metabolismo , Niacina/orina , Hiperlipidemias/metabolismo , Niacinamida/orina , Niacinamida/metabolismo , Niacinamida/análogos & derivados , Redes y Vías Metabólicas , Curva ROC , Análisis de los Mínimos Cuadrados , Medicina Legal/métodos , Metaboloma

RESUMEN

This study explores a retrospective non-targeted analysis (NTA), based on Ultra High-Performance Liquid Chromatography coupled to High-Resolution Mass Spectrometry (UHPLC-HRMS), to assess hidden chemicals of emerging concern (CECs) in marine model organisms. Conventional ecotoxicological studies do not include evaluating the natural habitats of the collected organisms, missing the possibility of highlighting unexpected pollutants, and thus compromising the correctness and reliability of the experimental results. In this paper we reprocessed samples previously collected from the Venice Lagoon for ecotoxicological studies and used for targeted analysis of three bisphenols-related compounds (i.e. BPS, BPF and BPAF) on seawater and specimens of the clam Ruditapes philippinarum. Results from the validation were the following: accuracy, expressed as percentage recoveries (R%), in the range 80%

RESUMEN

Eucommia ulmoides, a plant native to China, is valued for its medicinal properties and has applications in food, health products, and traditional Chinese medicine. Processed Eucommiae Cortex (EC) has historically been a highly valued medicine. Ancient doctors had ample experience processing EC, especially with ginger juice, as documented in traditional Chinese medical texts. The combination of EC and ginger juice helps release and transform the active ingredients, strengthening the medicine's effectiveness and improving its taste and shelf life. However, the lack of quality control standards for Ginger-Eucommiae Cortex (G-EC), processed from EC and ginger, presents challenges for its industrial and clinical use. This study optimized G-EC processing using the CRITIC and Box-Behnken methods. Metabolomics showed 517 chemical changes between raw and processed G-EC, particularly an increase in coniferyl aldehyde (CFA). Explainable artificial intelligence techniques revealed the feasibility of using color to CFA content, providing insights into quality indicators.

Asunto(s)

Inteligencia Artificial , Eucommiaceae , Metabolómica , Eucommiaceae/química , Eucommiaceae/metabolismo , Color , Aldehídos/análisis , Aldehídos/metabolismo , Aldehídos/química , Manipulación de Alimentos , Extractos Vegetales/química , Extractos Vegetales/metabolismo , Zingiber officinale/química , Zingiber officinale/metabolismo

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Environmental monitoring is crucial for assessing the overall state of the ecosystems in terms of contaminant impact and chemical landscape. The use of honey bee (Apis mellifera) colonies considerably eases the sampling activities, as honey bees are exposed to a wide range of substances that are transported and accumulated within the beehives. In this work, combining low-resolution and high-resolution mass spectrometry, the APIStrip passive sampler has been employed to evaluate the presence of pesticide residues and the overall characterization of beehive environments. A total of 180 APIStrips have been deployed in 10 Danish apiaries, located in different landscapes, during a five-month sampling period. The targeted methodology for pesticide analysis was based on gas and liquid chromatography coupled with triple quadrupole mass spectrometry, covering 430 pesticide residues. A total of 29 pesticide residues were identified (fluopyram and azoxystrobin being the most frequently detected), with remarkable differences in the pesticide load between apiaries. For its part, the use of non-targeted approaches through liquid chromatography coupled with an Orbitrap mass spectrometer allowed the detection of unknown compounds that were specific of certain environments. Natural products such as eupatilin and gnaphaliin, which are derived from plant sources, were present exclusively in one of the apiaries. Additionally, the detection of drimane sesquiterpenoids, including compounds potentially originating from the Aspergillus genus, suggests the capability of APIStrips to early detect fungal contamination within beehives. This dual approach of low- and high-resolution mass spectrometry maximizes the analytical potential of APIStrips as a tool capable of detecting a wide range of substances with implications for both agricultural practices and ecological health.

RESUMEN

In this study, we aimed to explore the hypoglycemic effects of a hydrolysate on Takifugu bimaculatus skin (TBSH). The effect of the dipeptidyl peptidase-IV (DPP-IV) inhibitory activities from different TBSH fractions was investigated on basic indexes, gut hormones, blood lipid indexes, viscera, and the gut microbiota and its metabolites in rats with type 2 diabetes mellitus (T2DM). The results showed that the <1 kDa peptide fraction from TBSH (TBP) exhibited a more potent DPP-IV inhibitory effect (IC50 = 0.45 ± 0.01 mg/mL). T2DM rats were induced with streptozocin, followed by the administration of TBP. The 200 mg/kg TBP mitigated weight loss, lowered fasting blood glucose levels, and increased insulin secretion by 20.47%, 25.23%, and 34.55%, respectively, rectified irregular hormonal fluctuations, lipid metabolism, and tissue injuries, and effectively remedied gut microbiota imbalance. In conclusion, TBP exerts a hypoglycemic effect in rats with T2DM. This study offers the potential to develop nutritional supplements to treat T2DM and further promote the high-value utilization of processing byproducts from T. bimaculatus. It will provide information for developing nutritional supplements to treat T2DM and further promote the high-value utilization of processing byproducts from T. bimaculatus.

Asunto(s)

Glucemia , Diabetes Mellitus Experimental , Diabetes Mellitus Tipo 2 , Microbioma Gastrointestinal , Hiperglucemia , Hipoglucemiantes , Péptidos , Piel , Takifugu , Animales , Diabetes Mellitus Tipo 2/tratamiento farmacológico , Ratas , Masculino , Microbioma Gastrointestinal/efectos de los fármacos , Hipoglucemiantes/farmacología , Diabetes Mellitus Experimental/tratamiento farmacológico , Piel/efectos de los fármacos , Piel/metabolismo , Hiperglucemia/tratamiento farmacológico , Glucemia/efectos de los fármacos , Péptidos/farmacología , Inhibidores de la Dipeptidil-Peptidasa IV/farmacología , Metaboloma/efectos de los fármacos , Ratas Sprague-Dawley , Insulina/metabolismo , Insulina/sangre

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Currently, the clinical cure rate for primary liver cancer remains low. Effective screening and early diagnosis of hepatocellular carcinoma (HCC) remain clinical challenges. Exosomes are intimately associated with tumor development and their contents have the potential to serve as highly sensitive tumor-specific markers. A comprehensive untargeted metabolomics study was conducted using exosome samples extracted from the serum of 48 subjects (36 HCC patients and 12 healthy controls) via a commercial kit. An ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) strategy was used to identify the metabolic compounds. A total of 18 differential metabolites were identified using the non-targeted metabolomics approach of UPLC-QTOF-MS/MS. Pathway analysis revealed significant alterations in the arachidonic acid metabolism, linoleic acid metabolism, and unsaturated fatty acid metabolism pathways. ROC analysis indicated that three metabolites with AUC values exceeding 0.900 were selected as potential biomarkers: caprylic acid and linoleic acid were upregulated in the HCC group, whereas pentadecanoic acid was downregulated. Linoleic acid, caprylic acid, and pentadecanoic acid are potential biomarkers for diagnosing HCC. The significant alterations in these three metabolic pathways offer new insights into the mechanisms underlying HCC formation and progression.

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Bank filtration supports the growing global demand for drinking water amidst concerns over organic micropollutants (OMPs). Efforts to investigate, regulate and manage OMPs have intensified due to their documented impacts on ecosystems and human health. Non-targeted analysis (NTA) is critical for addressing the challenge of numerous OMPs. While identification in NTA typically prioritises compounds based on properties like toxicity, considering substance quantity, occurrence frequency and exposure duration is essential for comprehensive risk management. A prioritisation scheme, drawing from intensive sampling and NTA of bank filtrate, is presented and reveals significant variability in OMP occurrence. Quasi-omnipresent substances, though only 7% of compounds, accounted for 44% of cumulative detections. Moderately common substances, constituting 31% of compounds, accounted for 50% of cumulative detections. Rare compounds, comprising 61%, contributed only 6% to cumulative detections. The application of suspect screening for 31 substances to the dataset yielded results akin to NTA, underscoring NTA's value. Correlation between both methods demonstrates the efficacy of high-resolution mass spectrometry-based NTA in assessing temporal and quantitative OMP dynamics.

Asunto(s)

Monitoreo del Ambiente , Filtración , Ríos , Contaminantes Químicos del Agua , Contaminantes Químicos del Agua/análisis , Monitoreo del Ambiente/métodos , Ríos/química , Flujo de Trabajo

RESUMEN

Sustainability and life-cycle concerns about the conventional activated sludge (CAS) process for wastewater treatment have been driving the development of energy-efficient, greener alternatives. Feasibility of an algal-based wastewater treatment (A-WWT) system has been demonstrated recently as a possible alternative, capable of simultaneous nutrient and energy recovery. This study compared capabilities of the A-WWT and CAS systems in removing organic micropollutants (OMP). Initial assessments based on surrogate organic measures and fluorescence excitation-emission matrix (FEEM) scans revealed that the A-WWT system achieved higher removals of organics than the CAS system. However, effluents of both systems contained residual organic matter, necessitating further OMP assessment for a rigorous comparison. A novel ultrahigh-performance liquid chromatography- Fourier transform mass spectrometry (UPLC-FTMS)-based non-targeted screening approach was adopted here for residual OMP analysis. This approach confirmed that the A-WWT system resulted in better OMP removal, eliminating 329 compounds and partially reducing 472 compounds, compared to 206 eliminations and 410 partial reductions by the CAS system. Mass spectra signal corresponding to some OMPs increased with treatment while some transformation products were observed following treatment. Higher OMP reduction in the A-WWT system with concurrent reductions of biodegradable carbon, nutrients, and pathogens in a single-step while producing energy and nutrient rich algal biomass underscore its potential as a greener alternative for wastewater treatment.

Asunto(s)

Aguas del Alcantarillado , Eliminación de Residuos Líquidos , Aguas Residuales , Aguas del Alcantarillado/química , Aguas Residuales/química , Aguas Residuales/análisis , Eliminación de Residuos Líquidos/métodos , Contaminantes Químicos del Agua/análisis