High-performance Liquid Chromatography-mass Spectrometry Research Articles

Eupatorium adenophorum Spreng root extract as an efficient inhibitor for the corrosion of steel in sulfamic acid solution

Eupatorium adenophorum Spreng root extract (EASRE) was prepared using a reflux extraction method with 40 % ethanol (C2H5OH) as the extractant solvent. The corrosion inhibitory impact of EASRE on cold rolled steel (CRS) in 0.10 M sulfamic acid (NH2SO3H) solution was explored through gravimetric tests, potentiodynamic polarization curves, and electrochemical impedance spectroscopy (EIS) methods. Metallographic microscopy (MM), scanning electron microscopy (SEM), atomic force microscopy (AFM), and confocal laser scanning microscopy (CLSM) were employed to examine the micrographs of CRS specimens. The adsorbed chemical substances on the inhibited CRS surface were examined via X-ray photoemission spectroscopy (XPS). And the main chemical constituents of EASRE were analysed by high performance liquid chromatography-mass spectrometry (HPLC-MS). The results of the study showed that EASRE at a concentration of 500 mg L−1 in 0.10 M NH2SO3H at 30 °C for 12 h had a significant inhibitory effect on CRS, with a maximum inhibitory efficiency of 89.7 %. At all set temperatures, the adsorption of EASRE onto CRS surface adheres to Langmuir isotherm. EASRE functions as a mixed-type inhibitor through a “geometric covering effect”. EIS show that the addition of EASRE significantly improves the charge transfer resistance at the steel/sulfamic acid interface, and the charge transfer resistance increases with increasing inhibitor concentration. XPS analysis confirm the presence of a “protective film” generated by EASRE on the CRS surface, and it consists of O-H, N-H, C-O, C-H, CC, CN, CO. Microscopic graphs of MM, SEM, AFM and CLSM reveal that EASRE efficiently alleviates the corrosion on the CRS surface. The HPLC-MS suggest that the main components of EASRE are flavonoids and phenylpropanoid compounds.

Investigation into temporal changes in the human bloodstain lipidome.

Bloodstains are crucial pieces of physical evidences found at violent crime scenes, providing valuable information for reconstructing forensic cases. However, there is limited data on how bloodstain lipidomes change over time after deposition. Hence, we deployed a high-throughput high-performance liquid chromatography-mass spectrometry (HPLC-MS) approach to construct lipidomic atlases of bloodstains, whole blood, plasma, and blood cells from 15 healthy adults. A time-course analysis was also performed on bloodstains deposited for up to 6months at room temperature (~ 25°C). The molecular levels of 60 out of 400 detected lipid species differed dramatically between bloodstain and whole blood samples, with major disturbances observed in membrane glycerophospholipids. More than half of these lipids were prevalent in the cellular and plasmic fractions; approximately 27% and 10% of the identified lipids were uniquely derived from blood cells and plasma, respectively. Furthermore, a subset of 65 temporally dynamic lipid species arose across the 6-month room-temperature deposition period, with decreased triacylglycerols (TAGs) and increased lysophosphatidylcholines (LPCs) as representatives, accounting for approximately 8% of the total investigated lipids. The instability of lipids increased linearly with time, with the most variability observed in the first 10days. This study sheds light on the impact of air-drying bloodstains on blood components at room temperature and provides a list of potential bloodstain lipid markers for determining the age of bloodstains.

A multifunctional natural treasure based on a “one stone, many birds” strategy for designing health-promoting applications: Tordyliumapulum

Wild plants provide important bioactive compounds, and their analysis relies heavily on selecting the right extraction techniques and solvents. This study was conducted to determine the phenolic content and biopharmaceutical potential of four different extracts (ethyl acetate, ethanol, 70% ethanol, and water) from the aerial parts of wild plant Tordylium apulum L. The biochemical profile of the extract was screened using high performance liquid chromatography -mass spectrometry (HPLC-MS) analysis. The total phenolic and flavonoid content was examined using the Folin-Ciocalteu assay and the aluminium trichloride assay, respectively. The antioxidant activity was evaluated through several tests, including 2,2-Diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), cupric reducing antioxidant capacity (CUPRAC), ferric reducing antioxidant power (FRAP), phosphomolybdenum (PBD), and metal chelating activity (MCA). Five types of enzyme inhibition activity were tested against acetylcholinesterase (AChE), butrylcholinesterase (BChE), tyrosinase, α-amylase, and α-glucosidase. Additionally, For the first time, the inhibitory activity of T. apulum extract against human carbonic anhydrase isoenzymes I and II (hCA-I and hCA-II) was evaluated. Fifty-five compounds for negative ionization mode, and twenty-eight compounds for positive ionization mode were recorded in HPLC-MS analysis and they were polyphenolic, flavonoids, carbohydrates, sugar alcohol and amino acids. These results indicate that different solvents extract varying levels of antioxidants from T. apulum, with ethanol and water extracts generally exhibiting superior antioxidant activities. The ethanol extract of T. apulum exhibited the maximum contents of total phenolics measuring 33.71 mg gallic acid equivalent (GAE)/g. The ethanol extract exhibited the highest inhibition of AChE with 2.28 mg galanthamine equivalent (GALAE)/g. The ethyl acetate and ethanol extracts also showed the highest hCA-I and hCA-II inhibition potential, respectively. The ethanol-water and water extracts acted on the biofilm of E. coli (49.93% and 45.22%, respectively), and the biofilm of P. aeruginosa (50.68% and 44.46%, respectively). The extracts were tested on different cell lines for cytotoxic potentials and in particular the water extract induced the apoptotic pathways in cervical cancer (HELA) cell lines. In conclusion, T. apulum exhibit multidirectional biological properties and it could be considered as a versatile agent for the development of health-promoting applications.

Anemarrhena asphodeloides Bunge total saponins lower lipid via modulating MAOA activity to enhance defense mechanisms in mice and C. elegans

Ethnopharmacological relevanceWithin Anemarrhena asphodeloides Bunge (AAB), the pivotal bioactive constituents are identified as Anemarrhena asphodeloides Bunge total saponins (ABS). In traditional pharmacology, ABS has exhibited notable anti-inflammatory, hypoglycemic, and cardioprotective properties. Despite these observed effects, the specific protective mechanisms of ABS against metabolic diseases and improving the endocrine system remain largely uncharted. Aim to studyThis work intends to shed light on the effects and intrinsic mechanisms of ABS on metabolic diseases. Materials and methodsThe characterization of ABS components was achieved through High-Performance Liquid Chromatography/Mass Spectrometry (HPLC/MS). To evaluate ABS's anti-inflammatory efficacy, mouse macrophages underwent analysis using the Griess method. Induced differentiation of mouse fibroblasts was assessed through Oil Red O staining. In an obesity model with C57BL/6 N mice, ABS administration prompted measurements of glucose and insulin tolerance. Western blot analysis quantified lipolysis and anti-inflammatory protein expression. Nile red staining gauged body fat content in C. elegans post-ABS treatment. The mechanism of ABS action was elucidated through mRNA sequencing, further validated using RNA interference technology, and nematode mutants. ResultsABS showcased the ability to diminish Nitric Oxide (NO) production in inflammatory macrophages and shrink adipocyte lipid droplets. In mice experiments, ABS was effective in alleviating fat accumulation and affecting serum lipid metabolism in diabetic mice. It enhanced oral glucose tolerance and insulin tolerance while increasing lipolysis-associated protein expression. ABS notably reduced fat content in C. elegans. Mechanistically, ABS downregulated NOD-like receptor thermal protein domain associated protein 3 (NLRP3) and monoamine oxidase A (MAOA) expression while enhancing UGT, ilys-2, and ilys-3. Lipolysis emerged as a pivotal pathway for ABS in the therapeutic intervention of metabolic diseases. ConclusionsOur investigation has revealed that ABS exert a role in combating metabolic diseases by enhancing the body's defense mechanisms. ABS activate the NLRP3-neurotransmitter-visceral adipose pathway in mice, thereby bolstering resistance and diminishing fat accumulation. In C. elegans, ABS downregulated the expression of MAOA, bolstered resistance, and augmented glucuronidase activity, consequently leading to a reduction in fat content.

TiO2/Ti3C2Tx gel microsphere for efficient photocatalytic degradation of organic pollutant with excellent recycling stability

Enhancing the recycling stability of photocatalysts is crucial for practical applications. The significant loss of powder catalyst materials during the recycling process hampers its degradation rate and results in a low reuse rate. Herein, the in-situ prepared TiO2/Ti3C2Tx (TOTC) heterojunction is embedded in gel microsphere (GMS) as a recyclable photocatalyst TOTC@GMS for efficient photocatalytic degradation of Congo red (CR). The experimental results show that the removal rate can reach 99 % in 120 min without any co-catalysts or sacrificial reagents. The GMS can be recycled after rinsing in deionized water for only 2 min, and the removal rate still maintains over 90 % after 25 cycles. Additionally, under natural sunlight exposure, TOTC@GMS achieves a removal rate of 90 % for CR in real water samples. The degradation mechanism is elucidated through hydroxyl radicals (OH) and superoxide radicals (O2−) as the main reactive species, as confirmed by free radical scavenging and electron paramagnetic resonance (EPR) experiments. The degradation products are further analyzed using high-performance liquid chromatography-mass spectrometry (LC-MS), allowing for the deduction of degradation pathways of CR. Furthermore, a phytotoxicity test confirms the non-toxicity of the organic micromolecules generated after degradation. This study presents a practical strategy to improve the recycling stability of photocatalysts, thereby effectively reducing the cost of wastewater treatment.

Aspirin hypersensitivity diagnostic index (AHDI): Invitro test for diagnosing of N-ERD based on urinary 15-oxo-ETE and LTE4 excretion.

15-oxo-eicosatetraenoic acid (15-oxo-ETE), is a product of arachidonic acid (AA) metabolism in the 15-lipoxygenase-1 (15-LOX-1) pathway. 15-oxo-ETE was overproduced in the nasal polyps of patients with nonsteroidal anti-inflammatory drug-exacerbated respiratory disease (N-ERD). In this study we investigated the systemic biosynthesis of 15-oxo-ETE and leukotriene E4 (LTE4) and assessed their diagnostic value to identify patients with N-ERD. The study included 64 patients with N-ERD, 59 asthmatics who tolerated aspirin well (ATA), and 51 healthy controls. A thorough clinical characteristics of asthmatics included computed tomography of paranasal sinuses. Plasma and urinary 15-oxo-ETE levels, and urinary LTE4 excretion were measured using high-performance liquid chromatography and tandem mass spectrometry. Repeatability and precision of the measurements were tested. Plasma 15-oxo-ETE levels were the highest in N-ERD (p < .001). A receiver operator characteristic (ROC) revealed that 15-oxo-ETE had certain sensitivity (64.06% in plasma, or 88.24% in urine) for N-ERD discrimination, while the specificity was rather limited. Modeling of variables allowed to construct the Aspirin Hypersensitivity Diagnostic Index (AHDI) based on urinary LTE4-to-15-oxo-ETE excretion corrected for sex and the Lund-Mackay score of chronic rhinosinusitis. AHDI outperformed single measurements in discrimination of N-ERD among asthmatics with an area under ROC curve of 0.889, sensitivity of 81.97%, specificity of 87.23%, and accuracy of 86.87%. We confirmed 15-oxo-ETE as a second to cysteinyl leukotrienes biomarker of N-ERD. An index based on these eicosanoids corrected for sex and Lund-Mackay score has a similar diagnostic value as gold standard oral aspirin challenge in the studied group of patients with asthma.

Screening for Bongkrekic Acid in Food Using a Monoclonal Antibody-Based Indirect Competitive Enzyme-Linked Immunosorbent Assay (icELISA)

Pseudomonas cocovenenans subsp. farinofermentans is a pathogenic bacterium that causes the poisoning of fermented rice products. Its isomeric products, bongkrekic acid (BA) and isobongkrekic acid (IBA), have become popular research topics. In this study, we developed a heterologous-coating strategy for high-sensitivity indirect competitive enzyme-linked immunoassay (icELISA) for BA and IBA using monoclonal antibodies (mAbs). The optimized procedure exhibited an IC50 of 5.49 ng/mL, a limit of detection of 0.99 ng/mL, and a linear range from 2.12 to 14.21 ng/mL. Notably, this method exhibited negligible cross-reactivity to other small toxins, and the recoveries of the samples, including rice noodles, Auricularia auricula, and flat rice noodles, ranged from 92.0%–111.9%, 105.6%–115.0%, and 83.2%–109.0%, respectively, with coefficients of variation below 12%. A comparison of the recoveries of high-performance liquid chromatography-mass spectrometry (HPLC-MS) and icELISA demonstrated that the developed approach provides good accuracy and reliability. Overall, the simple preparation of IBA combined with the suitability of icELISA for high-throughput analysis is efficient and cost-effective, making it suitable for routine screening of food.

Development of a new extraction method and functional analysis of phycocyanobilin from unique filamentous cyanobacteria

As current methods of production of phycocyanobilin, a photosynthetic blue pigment derived from phycocyanin of filamentous cyanobacteria, Pseudanabaena sp. ABRG5-3, Limnothrix sp. SK1-2-1, and Spirulina sp., exhibit a low extraction efficiency, a new extraction method using ethanol extraction as a type of solvolysis with an autoclave (130 ℃, 5.7bar, 10min) was developed in this study. This method exhibited high efficiency and enabled easy recovery of the three types of phycocyanobilins. The identity of the three types of phycocyanobilins was confirmed by high-performance liquid chromatography and electrospray ionization-tandem mass spectrometry. Phycocyanobilins were stable at high temperatures (80 ℃) and acidic (pH 3) conditions. Phycocyanobilins also possessed a remarkable antioxidant property. This is the first time that a simple phycocyanobilin extraction method with a recovery rate of more than 60% and approximately 1% per dry cell weight of filamentous cyanobacteria has been demonstrated. This novel production method is thus convenient and effective for obtaining high-purity phycocyanobilins.

Analysis types and quantification methods applied in UHPLC-MS metabolomics research: a tutorial.

Different types of analytical methods, with different characteristics, are applied in metabolomics and lipidomics research and include untargeted, targeted and semi-targeted methods. Ultra High Performance Liquid Chromatography-Mass Spectrometry is one of the most frequently applied measurement instruments in metabolomics because of its ability to detect a large number of water-soluble and lipid metabolites over a wide range of concentrations in short analysis times. Methods applied for the detection and quantification of metabolites differ and can either report a (normalised) peak area or an absolute concentration. In this tutorial we aim to (1) define similarities and differences between different analytical approaches applied in metabolomics and (2) define how amounts or absolute concentrations of endogenous metabolites can be determined together with the advantages and limitations of each approach in relation to the accuracy and precision when concentrations are reported. The pre-analysis knowledge of metabolites to be targeted, the requirement for (normalised) peak responses or absolute concentrations to be reported and the number of metabolites to be reported define whether an untargeted, targeted or semi-targeted method is applied. Fully untargeted methods can only provide (normalised) peak responses and fold changes which can be reported even when the structural identity of the metabolite is not known. Targeted methods, where the analytes are known prior to the analysis, can also report fold changes. Semi-targeted methods apply a mix of characteristics of both untargeted and targeted assays. For the reporting of absolute concentrations of metabolites, the analytes are not only predefined but optimized analytical methods should be developed and validated for each analyte so that the accuracy and precision of concentration data collected for biological samples can be reported as fit for purpose and bereviewed by the scientific community.

Studies on Nigerian cashew nut shell liquid: Greening-up extraction process, chemical composition and cost effectiveness

Extractions of cashew nut shell liquid (CNSL) have always widely been carried out with non-environmentally friendly solvents. Hence, greener solvents are desired as alternative to currently used solvents. Herein, batch extractions of Nigerian CNSL with greener solvents: ethyl acetate and cyclohexane mixture in different ratios were investigated in hot and cold system and results compared with conventional solvent (petroleum ether). Compositional studies of the extracted CNSL and its isolated components were done with Fourier-Transformed Infrared (FTIR), Nuclear Magnetic Resonance (NMR) spectroscopy and Ultra High-Performance Liquid Chromatography-Mass Spectrometry (UHPLC-MS). Cost effectiveness analysis for the extraction solvents and methods was also investigated. It was revealed that ethyl acetate and ethyl acetate-cyclohexane mixture at cold and hot conditions recorded higher CNSL yields than previous reports even at a lower liquid-to-solid ratio. Chemical composition and component quantity extracted did not significantly change under hot or cold system. The present composition of the Nigerian CNSL contains unusually higher amount of anarcardic acid (79 %) and cardanol (14 %) than ever reported. Additionally, degree of unsaturation in the alkyl chain of the CNSL is in the order triene>monoene>diene in the anarcardic acid and cardanol components of the liquid. Cost effectiveness analysis at a kilogramme scale revealed that the order of greenness of extraction route based on solvent type, energy requirement and condition of extraction is ethyl acetate-solvent cold system> ethyl acetate-hot system> ethyl acetate-cyclohexane-system> cyclohexane system > pet. ether system.

Regulating facet exposure and sulfur vacancy in magnetic greigite nanosheet for boosting heterogeneous Fenton-like reaction towards efficient degradation of metronidazole under visible light irradiation: Synergistic enhancement effect, DFT calculations and mechanism insight

Environmentally friendly iron catalysts have attracted widespread attention in the heterogeneous Fenton-like reaction based on peroxymonosulfate (PMS) for the degradation of emerging pollutants in water, while it has always suffered from the disadvantage of low catalytic activity. Herein, we successfully prepared the magnetic greigite (Fe3S4) nanosheet with the exposed {011} facet and rich sulfur vacancies (FS-1) through a simple solvothermal method. The degradation rate of metronidazole by the FS-1 activating PMS under visible light irradiation was 2.93, and 4.48 more than those of the Fe3S4 nanosheet with the exposed {011} facet and poor sulfur vacancies, and Fe3S4 nanobulk with the exposed {112} facet, respectively. The result of electrochemical analysis and theoretical calculation indicated that the exposed {011} facet of prepared FS-1 offered more active sites to adsorb PMS, and the rich sulfur vacancies on the surface accelerated the electron transfer between oxidants and catalyst. This collaborative effect significantly lowered the energy barrier associated with PMS activation, leading to an increased generation of singlet oxygen. Additionally, the degradation mechanism and pathway of metronidazole, including hydroxyethyl cracking, denitrification, and hydroxylation, were explored in detail through theoretical calculations and high-performance liquid chromatography-mass spectrometry, respectively. This work offers insight into boosting the catalytic performance of environmentally friendly iron-based catalysts.

Prostacyclin Synthase Deficiency Leads to Exacerbation or Occurrence of Endothelium-Dependent Contraction and Causes Cardiovascular Disorders Mainly via the Non-TxA2 Prostanoids/TP Axis.

Prostaglandin I2 synthesized by endothelial COX (cyclooxygenase) evokes potent vasodilation in some blood vessels but is paradoxically responsible for endothelium-dependent constriction (EDC) in others. Prostaglandin I2 production and EDC may be enhanced in diseases such as hypertension. However, how PGIS (prostaglandin I2 synthase) deficiency affects EDC and how this is implicated in the consequent cardiovascular pathologies remain largely unknown. Experiments were performed with wild-type, Pgis knockout (Pgis-/-) and Pgis/thromboxane-prostanoid receptor gene (Tp) double knockout (Pgis-/-Tp-/-) mice and Pgis-/- mice transplanted with unfractionated wild-type or Cox-1-/- bone marrow cells, as well as human umbilical arteries. COX-derived prostanoids were measured by high-performance liquid chromatography-mass spectrometry. Vasomotor responses of distinct types of arteries were assessed by isometric force measurement. Parameters of hypertension, vascular remodeling, and cardiac hypertrophy in mice at different ages were monitored. PGF2α, PGE2, and a trace amount of PGD2, but not thromboxane A2 (TxA2), were produced in response to acetylcholine in Pgis-/- or PGIS-inhibited arteries. PGIS deficiency resulted in exacerbation or occurrence of EDC ex vivo and in vivo. Endothelium-dependent hyperpolarization was unchanged, but phosphorylation levels of eNOS (endothelial nitric oxide synthase) at Ser1177 and Thr495 were altered and NO production and the NO-dependent relaxation evoked by acetylcholine were remarkably reduced in Pgis-/- aortas. Pgis-/- mice developed high blood pressure and vascular remodeling at 16 to 17 weeks and subsequently cardiac hypertrophy at 24 to 26 weeks. Meanwhile, blood pressure and cardiac parameters remained normal at 8 to 10 weeks. Additional ablation of TP (TxA2 receptor) not only restrained EDC and the downregulation of NO signaling in Pgis-/- mice but also ameliorated the cardiovascular abnormalities. Stimulation of Pgis-/- vessels with acetylcholine in the presence of platelets led to increased TxA2 generation. COX-1 disruption in bone marrow-derived cells failed to affect the development of high blood pressure and vascular remodeling in Pgis-/- mice though it largely suppressed the increase of plasma TxB2 (TxA2 metabolite) level. Our study demonstrates that the non-TxA2 prostanoids/TP axis plays an essential role in mediating the augmentation of EDC and cardiovascular disorders when PGIS is deficient, suggesting TP as a promising therapeutic target in diseases associated with PGIS insufficiency.

Differential Analysis of Components in Different Parts of Viburnum Cylindricum Based on Untargeted Metabolomics

Objective To analyze the main metabolites and their relative contents in leaves, shoots, fruits and barks of Mahogany by non-targeted metabonomics, so as to provide a scientific basis for improving the medicinal value of Mahogany. Methods High performance liquid chromatography-mass spectrometry (HPLC-MS) was used to collect the data of metabolites in different parts of Mahogany, and then the main metabolites were analyzed by non-targeted metabonomics. The results showed that leaves, twigs, fruits and barks all contained flavonoids, benzene and its substituted derivatives, carboxylic acids and their derivatives, fatty acids, phenylpropanoids and other metabolites, with the highest content of flavonoids in leaves and the richest content of carboxylic acids and their derivatives in fruits. The main metabolic pathways of fruit and bark are amino acid metabolism, flavonoids biosynthesis, flavonoids and flavonols biosynthesis. Conclusion The leaves, twigs, fruits and barks of Mahogany contain a variety of metabolites with medicinal functions, and the highest content of metabolites is found in different parts. Therefore, targeted collection of medicinal parts can be considered in the development and utilization to improve the utilization rate of resources.

ZIF-67/melamine-derived cobalt encapsulated in N-doped CNTs for periodate activation toward tetracycline degradation

Advance oxidation processes (AOPs) based on periodate (PI) offer new methods for removing pollutants, but the activation of PI by carbon nanotubes and its composites has been rarely reported. In this study, N-doped carbon nanotubes encapsulated cobalt (Co@NCNTs) was synthesized through melamine assisted ZIF–67 pyrolysis, and it was used to activate PI for the tetracycline (TC) degradation. Effects of experimental parameters including catalyst dosage, periodate concentration, initial pH, and temperature were investigated. The results show that this system exhibited excellent activation performance under wide pH (4–10) with a low reaction activation energy (Ea = 8.874 kJ/mol). Radical quenching experiments manifested that iodate radical (IO3) played a main role in the TC elimination, followed by superoxide radical (O2−), singlet oxygen (1O2), and hydroxyl radicals (OH). Additionally, it is found that IO4− is not converted into toxic iodine species (I2, HOI) but nontoxic iodate (IO3−), indicating that no secondary pollution occurred. Finally, possible TC degradation pathways were proposed based on the results of high-performance liquid chromatography mass spectrometry (HPLC-MS) analysis. This article provides a novel approach for the activation PI to remove pollutants and a theoretical support for practical applications.

Diagnostic Value of Menstrual Blood Lipidomics in Endometriosis: A Pilot Study.

Endometriosis is a prevalent chronic inflammatory disease characterized by a considerable delay between initial symptoms and diagnosis through surgery. The pressing need for a timely, non-invasive diagnostic solution underscores the focus of current research efforts. This study examines the diagnostic potential of the menstrual blood lipidome. The lipid profile of 39 samples (23 women with endometriosis and 16 patients in a control group) was acquired using reverse-phase high-performance liquid chromatography-mass spectrometry with LipidMatch processing and identification. Profiles were normalized based on total ion counts. Significant differences in lipids were determined using the Mann-Whitney test. Lipids for the diagnostic model, based on logistic regression, were selected using a combination of variance importance projection filters and Akaike information criteria. Levels of ceramides, sphingomyelins, cardiolipins, triacylglycerols, acyl- and alkenyl-phosphatidylethanolamines, and alkenyl-phosphatidylcholines increased, while acyl- and alkyl-phosphatidylcholines decreased in cases of endometriosis. Plasmenylphosphatidylethanolamine PE P-16:0/18:1 and cardiolipin CL 16:0_18:0_22:5_22:6 serve as marker lipids in the diagnostic model, exhibiting a sensitivity of 81% and specificity of 85%. The diagnostic approach based on dried spots of menstrual blood holds promise as an alternative to traditional non-invasive methods for endometriosis screening.

Occurrence, removal and risk assessment of chemicals of emerging concern in selected rivers and wastewater treatment plants in western Kenya

Water resources play a crucial role in sustaining life on earth yet chemicals of emerging concern (CECs) arising from extensive human applications are an increasing threat towards their existence. In this study, we examined the occurrence, removal and potential risk of CECs found in rivers and wastewater treatment plants (WWTPs) in western Kenya. Samples were prepared by solid-phase extraction and analysed using high performance liquid chromatography-mass spectrometry with a target list of 785 compounds. Out of these, 333 and 352 (influent 322, effluent 265) compounds were quantified in rivers and wastewater respectively, with pharmaceuticals, industrial compounds, and pesticides being frequently detected in both rivers and WWTPs. Compounds with highest concentrations included saccharin (9.9 μg/L), metformin (7.5 μg/L), and oxypurinol (6.5 μg/L) in rivers whereas caffeine (280 μg/L), deoxycholic acid (179 μg/L), 2-oxindole (10.9 μg/L) and ibuprofen (8.1 μg/L) were found at high concentrations in WWTPs. Based on the types of crops grown, samples from maize growing regions recorded the highest number of pesticides (75) which coincided with the spraying season. The WWTP showed the capacity to eliminate some compounds although the removal efficiencies varied greatly with 204 compounds exhibiting an average removal efficiency exceeding 50 %. Based on the risk assessment, crustaceans had the highest potential risk for toxicity with toxic unit (TU) values up to 5.4 driven primarily by diazinon and dichlorvos followed by algae (TU up to 0.07) and fish (TU up to 0.01) in rivers. A similar trend was observed in WWTP with diazinon (TU up to 5.5), diuron (TU up to 0.07) and carbendazim (TU up to 0.006) driving the risk for crustaceans, algae and fish respectively. These findings highlight the significance of surface water and WWTPs as sources and sinks of CECs in the environment translating to potential risks on aquatic organisms and humans.

Pharmacokinetics of anti-Mycobacterium avium-intracellulare disease drugs in silkworms

Pulmonary Mycobacterium avium-intracellulare complex (MAC) disease is a typical non-tuberculous mycobacterial infection. The incidence of pulmonary MAC is increasing worldwide. This study aimed to clarify the pharmacokinetic parameters of anti-pulmonary MAC disease drugs in silkworms. The pharmacokinetic parameters investigated included maximum concentration, area under the concentration–time curve, total clearance, and volume of distribution at steady-state. In addition, protein-binding rates, fat body transferability, and drug-drug interactions were examined. Antibiotic concentrations were measured using a validated high-performance liquid chromatography-mass spectrometry method. Among the antibiotics investigated, amikacin was not eliminated from silkworms during the 48-h observation period. In contrast, dose-proportional pharmacokinetics were observed in silkworms for all antibiotics tested, except for amikacin. Protein-binding rates in hemolymph for clarithromycin, azithromycin, rifampicin, ethambutol, and amikacin were 39.6 ± 3.0%, 39.5 ± 4.3%, 76.3 ± 3.2%, 20.9 ± 4.2%, and 73.1 ± 4.7%, respectively (mean ± standard deviation). The distribution of antibiotics in the fat bodies of silkworms was related to drug lipophilicity. No drug-drug interactions were observed in the silkworms. The pharmacokinetics of these drugs in silkworms differed significantly from those in humans. Therefore, while it is challenging to predict the pharmacokinetics of these drugs in humans based on silkworm data, the silkworm infection model has facilitated a comprehensive assessment of the relationship between antibiotic exposure and efficacy.

Ag-bridged Z-scheme AgI/NU-1000 heterojunction for enhanced photocatalytic degradation of sulfamethazine: Pathways, mechanism insight, and DFT calculations

Constructing heterojunction structures is a crucial approach for improving carrier separation efficiency and expanding the visible-light absorption range of photocatalysts. Herein, a series of Ag-bridged Z-scheme (AgI/NU-1000) heterojunction photocatalysts were successfully prepared using a simple in-situ precipitation method. The photodegradation efficiency of the AgI/NU-1000 samples was assessed by degrading sulfamethazine under visible-light conditions. The optimized AgI/NU-10000.35 (AN-2) photocatalyst exhibited exceptional photodegradation activity, achieving a degradation rate of 89.68 % within 40 min. The toxicity test results proved that the solution degraded by AN-2 exhibited no detrimental effects on biological growth, thereby demonstrating its potential practical application value. Electrochemical and photochemical tests demonstrated that the creation of a Z-scheme heterojunction was favorable for the separation of photogenerated carriers. Density functional theory (DFT) calculations and X-ray photoelectron spectroscopy were used to clarify the electron migration direction within the AgI/NU-1000 heterojunction. Possible degradation pathways and mediate products were investigated using high-performance liquid chromatography–mass spectrometry and DFT calculations. This work demonstrates the potential application of AgI/NU-1000 composite materials in environmental treatment.

MrgX2-targeted ligand screening from Artemisia capillaris Thunb. extract and receptor-ligand interaction analysis based on MrgX2-HALO-tag/CMC

Artemisia capillaris Thunb. (A. capillaris) is a well-known traditional Chinese herbal medicine with a wide range of pharmacological effects, such as soothing the liver and gallbladder, heat clearance, and detoxifying. Hence, its extract is commonly added to various traditional Chinese medicine formulas. Traditional Chinese medicine injection (TCMI) is a mature pharmaceutical dosage form developed using TCM theory combined with modern science and technology. Notably, allergic reactions, especially pseudo‑allergic reactions (PARs), greatly limited the use of these injections. Therefore, screening pseudo‑allergic components in A. capillaris extract is clinically significant. In the present study, we proposed a two-dimensional screening and identification system based on mas-related G protein-coupled receptor X2-HALO-tag/cell membrane chromatography (MrgX2-HALO-tag/CMC) high performance liquid chromatography mass spectrometry (HPLC-MS); seven potential active components were screened from 75 % ethanol extract of A. capillaris: NCA, CA, CCA, 1,3-diCQA, ICA-B, ICA-A, and ICA-C. The receptor-ligand interactions between these seven compounds and MrgX2 protein were analyzed using frontal analysis and molecular docking technology. Furthermore, a mast cell degranulation-related assay was used to assess the pseudo‑allergic activity of these compounds. The screened compounds can serve as ligands of MrgX2, and this study provides a research basis for pseudo‑allergic reactions caused by TCMIs containing A. capillaris.

Solvothermal preparation of CuO/g-C3N4 and photocatalytic degradation of ciprofloxacin

Composite materials CuO/g-C3N4 (CuOCN) were prepared using a solvothermal method to investigate their degradation effect on ciprofloxacin (CIP). The materials were characterized through X-ray diffraction analysis (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), UV-visible diffuse reflectance spectrophotometry (DRS), and X-ray photoelectron spectroscopy (XPS). The toxicity of degradation products of CIP was assessed through antibacterial experiments, and the degradation mechanism of CIP was investigated using quenching agent capture and high-performance liquid chromatography-mass spectrometry (HPLC-MS). The results of XRD and FTIR indicate that the CuOCN composite has been successfully synthesized. The photocatalytic experiment shows that adding 15% (w/w) of Cu3(BTC)2(H2O)3 in melamine (CuOCN2) has a relatively good degradation effect on CIP and can be reused multiple times. The TEM results indicate that both CuO and g-C3N4 have a layered structure and are attached together. HRTEM analysis reveals that the two components in CuOCN2 are arranged in a layered structure, with CuO displaying two crystal planes. Energy Dispersive Spectrometer (EDS) analysis reveals that the proportion of CuO in the three composite materials is 7.86% (w/w), 15.93% (w/w), and 84.83% (w/w), respectively. DRS detection reveals that the greater the amount of CuO added, the broader the visible light absorption range of the composite material, and the narrower the bandgap width. The photocurrent and photoresistance indicate that CuOCN2 exhibits a good photoelectric effect. XPS analysis shows that the CuOCN2 composite material possesses both the chemical composition and structure of CuO and g-C3N4. During the catalytic degradation process of CIP, four active substances, h+, e−, ·O2 −, and ·OH, were produced, leading to a reduction in the toxicity of the degradation products. Through HPLC-MS analysis, it was found that CIP undergoes reactions such as defluorination, ring opening of piperazine, and quinolone during degradation, resulting in reduced toxicity. This study provides an experimental basis for the degradation of CIP by CuOCN2.