Ultra-performance Liquid Chromatography-mass Spectrometry Research Articles

Pathobionts in the tumour microbiota predict survival following resection for colorectal cancer

Background and aimsThe gut microbiota is implicated in the pathogenesis of colorectal cancer (CRC). We aimed to map the CRC mucosal microbiota and metabolome and define the influence of the tumoral microbiota on oncological outcomes.MethodsA multicentre, prospective observational study was conducted of CRC patients undergoing primary surgical resection in the UK (n = 74) and Czech Republic (n = 61). Analysis was performed using metataxonomics, ultra-performance liquid chromatography-mass spectrometry (UPLC-MS), targeted bacterial qPCR and tumour exome sequencing. Hierarchical clustering accounting for clinical and oncological covariates was performed to identify clusters of bacteria and metabolites linked to CRC. Cox proportional hazards regression was used to ascertain clusters associated with disease-free survival over median follow-up of 50 months.ResultsThirteen mucosal microbiota clusters were identified, of which five were significantly different between tumour and paired normal mucosa. Cluster 7, containing the pathobionts Fusobacterium nucleatum and Granulicatella adiacens, was strongly associated with CRC (PFDR = 0.0002). Additionally, tumoral dominance of cluster 7 independently predicted favourable disease-free survival (adjusted p = 0.031). Cluster 1, containing Faecalibacterium prausnitzii and Ruminococcus gnavus, was negatively associated with cancer (PFDR = 0.0009), and abundance was independently predictive of worse disease-free survival (adjusted p = 0.0009). UPLC-MS analysis revealed two major metabolic (Met) clusters. Met 1, composed of medium chain (MCFA), long-chain (LCFA) and very long-chain (VLCFA) fatty acid species, ceramides and lysophospholipids, was negatively associated with CRC (PFDR = 2.61 × 10−11); Met 2, composed of phosphatidylcholine species, nucleosides and amino acids, was strongly associated with CRC (PFDR = 1.30 × 10−12), but metabolite clusters were not associated with disease-free survival (p = 0.358). An association was identified between Met 1 and DNA mismatch-repair deficiency (p = 0.005). FBXW7 mutations were only found in cancers predominant in microbiota cluster 7.ConclusionsNetworks of pathobionts in the tumour mucosal niche are associated with tumour mutation and metabolic subtypes and predict favourable outcome following CRC resection.E9vQ1bxk-JdT4E6GMYGhRXVideo

Gestational Diabetes Is Characterized by Decreased Medium-Chain Acylcarnitines and Elevated Purine Degradation Metabolites across Pregnancy: A Case-Control Time-Course Analysis.

Gestational Diabetes Mellitus (GDM) results in complications affecting both mothers and their offspring. Metabolomic analysis across pregnancy provides an opportunity to better understand GDM pathophysiology. The objective was to conduct a metabolomics analysis of first and third trimester plasma samples to identify metabolic differences associated with GDM development. Forty pregnant women with overweight/obesity from a multisite clinical trial of a lifestyle intervention were included. Participants who developed GDM (n = 20; GDM group) were matched with those who did not develop GDM (n = 20; Non-GDM group). Plasma samples collected at the first (10-16 weeks) and third (28-35 weeks) trimesters were analyzed with ultra-performance liquid chromatography-mass spectrometry (UPLC-MS). Cardiometabolic risk markers, dietary recalls, and physical activity metrics were also assessed. Four medium-chain acylcarnitines, lauroyl-, octanoyl-, decanoyl-, and decenoylcarnitine, significantly differed over the course of pregnancy in the GDM vs Non-GDM group in a group-by-time interaction (p < 0.05). Hypoxanthine and inosine monophosphate were elevated in the GDM group (p < 0.04). In both groups over time, bile acids and sorbitol increased while numerous acylcarnitines and α-hydroxybutyrate decreased (p < 0.05). Metabolites involved in fatty acid oxidation and purine degradation were altered across the first and third trimesters of GDM-affected pregnancies, providing insight into metabolites and metabolic pathways altered with GDM development.

Preparation of multilayer strontium-doped TiO2/CDs with enhanced photocatalytic efficiency for enrofloxacin removal.

Multilayer strontium-doped TiO2/carbon dots (CDs) materials (TC) were produced via sol-gel-layered carbonization method. A thorough analysis of the fabricated composites via XRD, SEM, and XPS revealed that strontium ions, TiO2 and CDs, were combined with each other to form layered structures. According to the UV-Vis diffuse reflectance spectrograms and (αhv)1/2 vs. hv plots, the electron-donor property of strontium ions caused a more positive TC conduction band position than that in the pure TiO2, thereby increasing the visible-light absorption range of TC. Based on the photocatalytic degradation data, the degradation rate of enrofloxacin was 84.7% at the dosage of 0.05 g·L-1 and the concentration of 10 mg·L-1. The capture experiments and ESR results showed that ·O2- and e- played a major role in the degradation process of TC. The possible degradation mechanism of enrofloxacin was explained in terms of decarboxylation and defluorination, as was detected via ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) analysis.

A Study of the Chemical Composition and Biological Activity of Michelia macclurei Dandy Heartwood: New Sources of Natural Antioxidants, Enzyme Inhibitors and Bacterial Inhibitors.

The wood of Michelia macclurei Dandy (MD) is an excellent material that is widely used in the furniture, handicraft, and construction industries. However, less research has been conducted on the chemical composition and biological activity of heartwood, which is the main valuable part of the wood. This study aimed to investigate the chemical composition and biological activities of the heartwood of Michelia macclurei Dandy (MDHW) and to confirm the active ingredients. Triple quadrupole gas chromatography-mass spectrometry (GC-MS) was used to characterize the volatile components of MDHW, while ultra-performance liquid chromatography-mass spectrometry was used to analyze the non-volatile components (UPLC-MS). The total reducing power, 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical, and 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid) (ABTS) radical scavenging assays, acetylcholinesterase and α-glucosidase inhibition assays, and an antimicrobial test of 4 gram bacteria were used to describe the in vitro bioactivities. The GC-MS analysis showed that the volatile components of MDHW were mainly fatty compounds and terpenoids, with sesquiterpenes and their derivatives dominating the terpene composition. β-elemene was the main terpene component in the steam distillation (11.88%) and ultrasonic extraction (8.2%) methods. A total of 67 compounds, comprising 45 alkaloids, 9 flavonoids, 6 lignans, and others, were found by UPLC-MS analysis. The primary structural kinds of the non-volatile components were 35 isoquinoline alkaloids. Alkaloids were the predominant active constituent in all MDHW extracts, including crude extracts, alkaloid fractions, and non-alkaloid fractions. These extracts all demonstrate some biological effects in terms of antioxidant, enzyme inhibition, and bacterial inhibition. The findings of this study show that MDHW is abundant in chemical structure types, has great bioactivity assessment, and has the potential to be used to create natural antioxidants, products that postpone Alzheimer's disease and lower blood sugar levels and antibacterial agents.

Antibacterial Activity and Mechanism of Peptide PV-Q5 against Vibrio parahaemolyticus and Escherichia coli, Derived from Salt-Fermented Penaeus vannamei.

The increasing threat posed by antibiotic-resistant pathogens has prompted a shift to the use of naturally-derived antimicrobial peptides (AMPs) in place of chemical preservatives in controlling foodborne pathogens. In this study, ten peptides were identified from salt-fermented shrimps (Penaeus vannamei) using ultra-performance liquid chromatography-mass spectrometry. One of the peptides, designated PV-Q5 (QVRNFPRGSAASPSALASPR), with most features of an AMP, was further explored and found to possess strong antibacterial activity against Vibrio parahaemolyticus and Escherichia coli, with a minimum inhibitory concentration of 31.25 μg/mL. Moreover, PV-Q5 increased bacterial cell membrane permeability and ruptured bacteria cell membranes, as revealed by transmission electron microscopy. Circular dichroism analysis showed that the conformation of PV-Q5 was a random coil in phosphate-buffered saline and α-helical in sodium dodecyl sulfate, which is conducive for interaction with bacteria cell membranes. These findings indicated that PV-Q5 could find potential use in food preservation to control foodborne pathogenic bacteria.

Peroxymonosulfate activation by CuFe-prussian blue analogues for the degradation of bisphenol S: Effect, mechanism, and pathway

The fenton-like process based on peroxymonosulfate (PMS) activation is considered as a promising strategy for the removal of organic pollutants. However, the development of efficient photocatalysts for PMS activation remains challenging. Herein, copper–iron prussian blue analogue (CunFe1-PBA, n = 1, 2, 3, 4) nanomaterials were first fabricated through a simple combination of co-precipitation and calcination processes. The as-synthesized CunFe1-PBA composite catalyst was used to activate PMS for the degradation of endocrine disruptor bisphenol S (BPS). As the result, Cu3Fe1-PBA calcined at 300 °C (Cu3Fe1-PBA*300 °C) mainly composed of CuFe2O4 and CuO showed a higher catalytic activity for activating PMS for BPS degradation than those of CunFe1-PBA composite. Additionally, Cu3Fe1-PBA*300 °C/PMS system was suitable for degradation of BPS at 400 mg/L catalyst or PMS and wide pH ranges from 3 to 11 while coexisting inorganic anions (SO42−, NO3−, and HCO3−) and humic acid all inhibited the reaction. Radical trapping experiment, electron paramagnetic resonance (EPR), and X-ray photoelectron spectroscopy (XPS) proved that Cu and Fe could regulate the charge balance through changes of valence state, and active PMS to produce free radicals effectively, especially the production of 1O2. Furthermore, the analysis of the BPS intermediates of degradation was carried out by ultra-performance liquid chromatography–mass spectrometry, and two degradation pathways of BPS were proposed. In summary, this work provides a facile avenue to design efficient catalysts to activate PMS for the degradation of emerging organic pollutants in water remediation.

Untargeted proteomic differences between clinical strains of methicillin-sensitive and methicillin-resistant Staphylococcusaureus

Staphylococcus aureus is a common disease-causing bacterium that has developed resistances to a wide variety of antibiotics. This increasing antibiotic resistance has made management of these infections difficult. A better understanding of the general differences among clinical S. aureus strains beyond the well characterized resistance mechanisms may help in identifying new anti-microbial targets. This study aimed to identify and compare the general differences in protein profiles among clinical strains of S. aureus sensitive and resistant to methicillin. The proteomic profiles of five methicillin sensitive (MSSA) and five methicillin resistant (MRSA) S. aureus strains were analyzed by ultra-performance liquid chromatography-mass spectrometry. Protein identification was done using Progenesis QI for Proteomics and the UniProt S. aureus database. Proteins that play roles in virulence, metabolism, and protein synthesis were found to be present at different abundances between MSSA and MRSA (Data available via ProteomeXchange with identifier PXD021629). This study shows differences in protein profiles between antibiotic sensitive and antibiotic resistant clinical strains of S. aureus that may affect the resistance mechanism. Further research on these differences may identify new drug targets against methicillin resistant S. aureus strains.

Cytochrome P450 mediates the formation of four new citrinin metabolites

Citrinin (CIT) is one of by-products by Monascus fermentation with known nephrotoxicity. Except dihydro-citrinone, no other metabolites including the possible metabolic pathways have been found in vivo metabolism. In this study, we applied ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) to analyze and identify potential CIT metabolites in the human cytochrome 450 (P450) subtype system. Four new metabolites with liver microsomes incubation were first found, namely 3-hydroxy-citrinin (M1), 4,5-ene-citrinin (M2), 5-hydroxymethyl-citrinin (M3), and 7-hydroxy-citrinin (M4). We also found the distinguished levels of the four metabolites with the incubation of various P450 subtypes. According to the results of molecular docking prediction, it showed the metabolic correlation of CYP3A4 with M1, CYP1A2, CYP2C9, and CYP2D6 with M2, M3, and M4. The maximum level of M1 metabolite was found in the incubation with liver microsome and P450 subtypes. Moreover, M1 and M4 metabolites were found in mice's duodenum, jejunum, ileum, liver, kidney, and hippocampus, but not M2 and M3. These results indicated the mediation of citrinin metabolism by P450s. It also suggested the concentration differences of metabolites with the incubation of different P450 subtypes.

Characterisation and application of bismuth ferrite - bismuth vanadate p-n heterojunction in the photoelectrocatalytic degradation of ciprofloxacin in water

Towards the photoelectrocatalytic degradation of ciprofloxacin, BFO/BVO heterojunction was constructed to improve the performance of the individual semiconductors. The enhanced performance of the heterojunction photoanode was attributed to increase in visible light harvesting, greater current mobility leading to higher current density, low charge transfer resistance, and low recombination rate of photogenerated electron and hole. The BFO, BVO and BFO/BVO photoanodes prepared were immobilized on fluorine doped tin oxide coated glass and characterised using x-ray diffractometry, scanning electron microscopy, cyclic voltammetry, electrochemical impedance spectroscopy (EIS), UV–vis diffusive reflectance spectroscopy, photocurrent measurement, ultra performance liquid chromatography- mass spectrometry (UPLC-MS). The percentage removal of ciprofloxacin using BFO, BVO and BFO/BVO photoanodes were 56%, 49% and 80.3% respectively. The current density of the heterojunction photoanode were markedly improved when compared to the individual performances of the photoanodes. Also, the BFO/BVO heterojunction photoanode showed stability after repeated usages. Data from UPLC-MS studies was used to propose the degradation pathway, products, and mechanism of the degradation process. .

Three-dimensional graphene anchored nZVI hybrid MnO2 as a dissolved oxygen activated Fenton-like catalyst for efficient mineralization of oxytetracycline

This work is dedicated to achieving the high mineralization efficiency of oxytetracycline (OTC) in a dissolved oxygen (DO) activated Fenton-like system by constructing a catalyst with unique catalytic performance. Three-dimensional graphene anchored nZVI hybrid MnO2 (3D-rGO@nZVI/MnO2) with layered and porous structures was synthesized and characterized by field emission scanning electron microscopy coupled with an energy dispersive spectrometer (SEM-EDS), Brunner-Emmet-Teller (BET) analysis, X-ray diffraction (XRD) measurement and Raman spectroscopy. The experimental results showed that the removal efficiency of OTC could reach 100.0% with outstanding TOC decrease of 84.0% at natural pH in the 3D-rGO@nZVI/MnO2-DO system. Moreover, negligible harmful intermediates were detected by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) after the reaction in the 3D-rGO@nZVI/MnO2-DO system. Reactive oxygen species (ROSs) detection, electrochemical measurements and X-ray photoelectron spectroscopy (XPS) analysis confirmed that the elimination mechanism of OTC was the unique catalytic degradation caused by the synergism of •OH and 1O2. The unprecedented synchronous generation of •OH and 1O2 by DO activation provides an innovative strategy for further exploration of Fenton-like system toward more effective degradation of organic pollutants.

Identification of a Novel Streptomyces sp. Strain HU2014 Showing Growth Promotion and Biocontrol Effect Against Rhizoctonia spp. in Wheat.

Wheat sharp eyespot is a serious disease caused by the phytopathogens Rhizoctonia cerealis and R. solani. Some species in the genus Streptomyces have been identified as potential biocontrol agents against phytopathogens. In this investigation, the physiological, biochemical, phylogenetic, and genomic characteristics of strain HU2014 indicate that it is a novel Streptomyces sp. most closely related to Streptomyces albireticuli. Strain HU2014 exhibited strong antifungal activity against R. cerealis G11 and R. solani YL-3. Ultraperformance liquid chromatography-mass spectrometry on the four extracts from the extracellular filtrate of strain HU2014 identified 10 chemical constituents in the Natural Products Atlas with high match levels (more than 90%). In an antifungal efficiency test on wheat sharp eyespot, two extracts significantly reduced the lesion areas on bean leaves infected by R. solani YL-3. The drenching of wheat in pots with spore suspension of strain HU2014 demonstrated a control efficiency of 65.1% against R. cerealis G11 (compared with 66.9% when treated by a 30% hymexazol aqueous solution). Additionally, in vitro and pot experiments demonstrated that strain HU2014 can produce indoleacetic acid, siderophores, extracellular enzymes, and solubilized phosphate, and it can promote plant growth. We conclude that strain HU2014 could be a valuable microbial resource for growth promotion of wheat and biological control of wheat sharp eyespot.

Occurrence, distribution and potential risk to infants of neonicotinoids in breast milk: A case study in Hangzhou, China

The pervasive use of neonicotinoid insecticides (neonics) has led to increasing concerns regarding the potential health risks associated with them. Breast milk is the main food source of infants, and thus, the presence of chemicals in breast milk has a greater impact on infant health. However, there have only been few reports regarding the presence of neonics in breast milk. Herein, eight neonics were detected in breast milk samples using ultraperformance liquid chromatography–mass spectrometry and their Pearson correlation was analyzed. The potential health risks of neonics to infants were assessed using the relative potency factor (RPF) method. The results revealed that neonics were widely detected in the breast milk samples from Hangzhou, with at least one neonics being detected in >94 % of the breast milk samples. The most frequently detected neonics included thiamethoxam (70.8 %) followed by imidacloprid (IMI) (62.0 %) and clothianidin (46.0 %). The residual concentrations of neonics in the breast milk samples ranged from <limit of detection of 501 ng/L, with a maximum IMIRPF value of 4760 ng/L. The analysis of neonics concentrations via Pearson's correlation coefficient revealed statistically significant positive correlations between the concentrations of thiamethoxam, clothianidin, and acetamiprid and between those of clothianidin, acetamiprid, and IMI in the breast milk samples, indicating that these neonics may have the same source. The cumulative intake exposure of infants of different ages ranged from 152.9 to 276.3 ng/kg/day, with the risks within acceptable limits. The findings of this study enable the assessment of the exposure level and health risks of neonics to infants during breastfeeding.

Gut metabolomics and 16S rRNA sequencing analysis of the effects of arecoline on non-alcoholic fatty liver disease in rats.

Introduction: Non-alcoholic fatty liver disease (NAFLD) has gradually become the primary cause of fatty liver disease. Betel nuts have been used to treat gastrointestinal diseases. Methods: In the present study, we analyzed the pathology, serology, gut flora, and metabolites in a rat model of NAFLD, with and without betel nut alkaloid treatment, using an integrated approach involving pathology, serological testing, 16S rRNA gene sequencing, and ultra-performance liquid chromatography-mass spectrometry metabolomics. Results: Two rats were used for model validation. Thirty SD rats were included and divided into the normal group (C group), NAFLD model group (M group), low-dose group, medium-dose group (T group), and high-dose group with intraperitoneal injection of arecoline. The expression of blood lipids was significantly downregulated at all three arecoline concentrations (p < 0.05). Alpha-diversity analysis of the intestinal flora showed significant differences among the three groups, with a significant reduction in population diversity in the M group and a recovery of population diversity after arecoline treatment. At the phylum level, the relative abundance of Firmicutes was significantly higher in the T group and Proteobacteria in the M group. The KEGG metabolic pathways included polyketide sugar unit biosynthesis and hypertrophic cardiomyopathy. Thirty-three significantly different metabolites were identified among the groups. Significantly different metabolites between groups T and M included indolepyruvate, 2-deoxystreptamine, sakuranetin, glycyl-leucine, and riboflavin. The KEGG metabolic pathway suggested a potential role for arachidonic acid metabolism, serotonergic synapses, neuroactive ligand-receptor interactions, tyrosine metabolism, and regiomelanin. Vitamin digestion and absorption, as well as regulation of lipolysis in adipocytes, were the main metabolic pathways that distinguished the T vs. M groups. PGE2 is involved in several metabolic pathways. Correlation analysis showed that 29 bacterial species were significantly associated with PGE2 levels in the M and T groups. Vagococcus, Lawsonia, Christensenella, unidentified Erysipelotrichaceae, unidentified Coriobacteriaceae, and five other bacterial groups are unique in the PGE2 metabolic pathway regulated by arecoline. Discussion: Arecoline has lipid-lowering effects and may exert therapeutic effects in NAFLD through intestinal metabolites and intestinal flora, as well as through the Butyricicoccus/Christensenella/Coriobacteriaceae-COX2/PGE2 pathway. Thus, arecoline may represent a potential drug or target for NAFLD treatment.

Untargeted metabolites profiling of volatile and non-volatile components of Egyptian lotus (Nelumbo nucifera Gaertn.) using UHPLC/PDA/ESI-MS and solid-phase microextraction (SPME) GC/MS in relation to its antiaging and anti-inflammatory effects

Nelumbo nucifera Gaertn. is a unique member of the family Nymphaeaceae, and one of the most important industrial crops with a cultural and medicinal value, especially in the traditional herbal medicines. The beautiful scent of its pink flowers had been used in many cosmetic preparations, but rarely investigated. The goal of this study was to characterize N. nucifera flower aroma profile using solid-phase microextraction coupled with GC/MS. A total of 33 volatile compounds belonging to several classes were identified with cineole reported for the first time and likely to contribute to its aroma. Untargeted metabolites profiling of non-volatile components in leaves, flowers, and seeds was attempted using high-resolution ultra-performance liquid chromatography-mass spectrometry analysis. UPLC-MS. MS-based profiling provided an annotation of more than 60 secondary metabolites with two newly reported glycoalkaloids alongside with floral anthocyanins. Principal component analysis of the UPLC-MS dataset revealed that flowers exhibited a distinct metabolome compared to seeds and leaves. Ultimately, flower extract exhibited a promising anti-aging and anti-inflammatory activities providing a new insight into lotus flower incorporation in the industrial cosmetic formulations.

Photocatalytic degradation of tetracycline by N-CQDs modified S-g-C3N4 nanotubes and its product toxicity evaluation

In this study, to improve the electron-hole pairs separation rate and enhance the antibiotic wastewater treatment efficiency, the sulfur doped g-C3N4 (SCN) nanotubes were modified with nitrogen-doped carbon quantum dots (N-CQDs) derived from pig manure by a simple solvothermal method, and SCN/N-CQDs composite photocatalyst was synthesized. SCN with hexagonal tubular structure has strong light scattering ability and abundant active sites. At the same time, the modification of N-CQDs extended the visible light response range, accelerated the separation of electron-hole pairs, and realized the efficient photocatalytic degradation of tetracycline (TC). The SCN/N-CQDs-1 showed the best photocatalytic performance, and degradation rate of TC could reach to 79.11% after 90 min of visible light irradiation, much higher than the degradation efficiency of pure SCN (58.33%). Among them, the generation of hole, hydroxyl radicals and superoxide radicals play an important role in the efficient degradation of TC. Furthermore, the intermediates produced during the degradation process were detected by ultra-performance liquid chromatography-mass spectrometry (HPLC − MS), and the possible TC degradation pathways were investigated. The repeatability and practicability of SCN/N-CQDs are proved by five cycle experiments. In addition, compared with the original toxicity, the inhibition rate of Escherichia coli (E. coli) colony growth was reduced by 91.315% after 90 min photodegradation. The results of biotoxicity analysis showed that SCN/N-CQDs leaching solution and its photodegradation wastewater did not produce biotoxicity to E. coli.

Exploring the Active Constitutions of Peach Blossom for Amelioration of Loperamide-Induced Mice Constipation by Ultra-Performance Liquid Chromatography-Mass Spectrometry Combined with Network Pharmacology

Constipation is a multifactorial health problem resulting from systemic or neurologic disorders including medication. Peach blossom, an edible flower, could promote defecation, urination, and improve abdominal pain. However, the active components and mechanisms of action remain unclear. In the present study, we established a loperamide-induced mice constipation model to validate the anti-constipation activity of peach blossom. Some classical biomarkers for constipation, including fecal water content, gastrointestinal transit ratio, and fecal pellet weight were used to evaluate the efficacy of peach blossom. Then, the chemical compounds present in peach blossom were screened out by Ultra-performance liquid chromatography (UPLC)-Orbitrap fusion mass spectrometer combined with diagnostic ions and database searching. Finally, the potential mechanism of peach blossom for the treatment of constipation was explored by network pharmacology on a system level. Peach blossom significantly reduced the fecal water content, gastrointestinal transit ratio, and fecal pellet weight, which were increased in the model group. Histological analysis showed that peach blossom could alleviate histological changes of the colon in constipated mice. In UPLC-MS analysis, 40 compounds, mainly flavonoids and phenolic acids, were identified. Network pharmacology analysis results indicate that 27 compounds exhibited anti-constipation activity by neurotransmitter receptor activity, carboxylic acid binding, flavin adenine dinucleotide binding, adrenergic receptor, and nuclear receptor activity. In this study, we found that peach blossom might alleviate the pathological process of constipation by regulating multi-targets. Our study serves as a theoretical basis for the utilization and further development of peach blossom as a promising health food for ameliorating constipation.

Vitreous metabolomic signatures of pathological myopia with complications.

Pathological myopia (PM) is closely associated with blinding ocular morbidities. Identifying biomarkers can provide clues on pathogeneses. This study aimed to identify metabolic biomarkers and underlying mechanisms in the vitreous humour (VH) of PM patients with complications. VH samples were collected from 39 PM patients with rhegmatogenous retinal detachment (RRD) (n = 23) or macular hole (MH)/myopic retinoschisis (MRS) (n = 16) and 23 controls (MH with axial length < 26 mm) who underwent surgical treatment. VH metabolomic profiles were investigated using ultra-performance liquid chromatography‒mass spectrometry. The area under the receiver operating characteristic curve (AUC) was computed to identify potential biomarkers for PM diagnosis. Bioinformatics analysis identified nineteen and four metabolites altered in positive and negative modes, respectively, and these metabolites were involved in tryptophan metabolism. Receiver operating characteristic analysis showed that seventeen metabolites (AUC > 0.6) in the positive mode and uric acid in the negative mode represent potential biomarkers for PM with complications (AUC = 0.894). Pairwise and pathway analyses among the RRD-PM, MH/MRS-PM and control groups showed that tryptophan metabolism and uric acid were closely correlated with PM. Altered metabolites and pathways in our study were characterized by increased oxidative stress and altered energy metabolism. These results contribute to a better understanding of myopia progression with or without related complications. Our study provides metabolomic signatures and related immunopathological features in the VH of PM patients, revealing new insight into the prevention and treatment of PM and related complications.

Sustainable Use of Chrysanthemum indicum var. aromaticum as Value-Added Green Materials in Microemulsion Hydrogels

The essential oil extracted from the flowers of Chrysanthemum indicum var. aromaticum (CIA) has excellent biological properties; however, the stems and leaves of CIA often get wasted. Maximizing the use of these wastes will help solve the sustainability issues of CIA resources. The present study analyzed the chemical compositions of CIA flower essential oil (CO) and stem and leaf extract (CE) by gas chromatography–mass spectrometry (GC–MS) and ultra-performance liquid chromatography–mass spectrometry (UPLC-MS). Then, the phytochemical properties, stability, antioxidant capacity, and cell (human L929) toxicity of CO and CE were further evaluated. Finally, oil-in-water microemulsion (ME) and hyaluronic acid hydrogel systems composed of CO and CE were developed to deliver bioactive ingredients effectively. The analysis identified 64 and 31 compounds in CO and CE, respectively, and indicated them as readily available sources of natural antioxidants, such as flavonoids and phenols. In addition, the formulation of the ME system (CIA-ME) improved CO stability and increased CE loading; these optimal formulations (ME, CIA-ME, CIA-ME gel) exhibited good stability, rheological properties, and sustained release properties without causing cell toxicity and skin irritation. The CIA-ME significantly inhibited intracellular tyrosinase activity and decreased intracellular melanin production in a dose-dependent manner. It also demonstrated skin photoprotection and inhibited tyrosinase, collagenase, and elastase activities. Overall, CIA as a plant raw material can serve as a promising topical cosmetic or medicine prototype. Applying CO and CE in combination provides a basis for the sustainable utilization of CIA resources.

Uncovering the effective substances and mechanism of Ipomoea pes-caprae against rheumatoid arthritis using liquid chromatography-mass spectrometry and targeted network pharmacology.

Ipomoea pes-caprae (L.) R. Br (Convolvulaceae) is a commonly used marine traditional Chinese medicine in the southern coastal areas of China. It has been widely used to treat rheumatoid arthritis, but its effective substances and anti-rheumatoid arthritis mechanism remain ambiguous. Hence, in this study, the chemical profile and absorbed ingredients of Ipomoea pes-caprae were elucidated by ultra-performance liquid chromatography-mass spectrometry. Moreover, targeted network pharmacology was used to clarify the mechanism of action of Ipomoea pes-caprae in treating rheumatoid arthritis. Finally, 23 compounds were identified in the aqueous extracts of Ipomoea pes-caprae and 12 absorbed ingredients were detected in rats' plasma. These 12 absorbed ingredients might be the essential effective substances of Ipomoea pes-caprae. The tissue distributions of 3 absorbed ingredients in rats were successfully analyzed. The targeted network pharmacological analysis results indicated that the regulation of inflammatory reaction, immune response, cell proliferation, and apoptosis were the critical mechanism of Ipomoea pes-caprae against rheumatoid arthritis. This study successfully clarified the effective substances and potential mechanisms of Ipomoea pes-caprae in treating rheumatoid arthritis. The results of this research could provide a valuable reference for further scientific research and clinical application.

Untargeted metabolomics reveals alternations in metabolism of bovine mammary epithelial cells upon IFN-γ treatment

BackgroundIFN-γ is a pleiotropic cytokine that has been shown to affect multiple cellular functions of bovine mammary epithelial cells (BMECs) including impaired milk fat synthesis and induction of malignant transformation via depletion of arginine, one of host conditionally essential amino acids. But the molecular mechanisms of these IFN-γ induced phenotypes are still unknown.MethodsBMECs were treated with IFN-γ for 6 h, 12 h, and 24 h. The metabolomic profiling in BMECs upon IFN-γ induction were assessed using untargeted ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) metabolomic analysis. Key differentially expressed metabolites (DEMs) were quantified by targeted metabolomics.ResultsIFN-γ induction resulted in significant differences in the contents of metabolites. Untargeted analysis identified 221 significantly DEMs, most of which are lipids and lipid-like molecules, organic acids and derivatives, organ heterocyclic compounds and benzenoids. According to Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis, DEMs were enriched in fructose and mannose metabolism, phosphotransferase system (PTS), β-alanine metabolism, arginine and proline metabolism, methane metabolism, phenylalanine metabolism, and glycolysis/gluconeogenesis. Quantification of selected key DEMs by targeted metabolomics showed significantly decreased levels of D-(-)-mannitol, argininosuccinate, and phenylacetylglycine (PAG), while increased levels in S-hydroxymethylglutathione (S-HMG) and 2,3-bisphospho-D-glyceric acid (2,3-BPG).ConclusionsThese results provide insights into the metabolic alterations in BMECs upon IFN-γ induction and indicate potential theoretical basis for clarifying IFN-γ-induced diseases in mammary gland.