Heterogeneous reactions on the aerosol particle surface in the atmosphere play important roles in air pollution, climate change, and global biogeochemical cycles. However, the reported uptake coefficients of heterogen...Heterogeneous reactions on the aerosol particle surface in the atmosphere play important roles in air pollution, climate change, and global biogeochemical cycles. However, the reported uptake coefficients of heterogeneous reactions usually have large variations and may not be relevant to real atmospheric conditions. One of the major reasons for this is the use of bulk samples in laboratory experiments, while particles in the atmosphere are suspended individually. A number of technologies have been developed recently to study heterogeneous reactions on the surfaces of individual particles. Precise measurements on the reactive surface area, volume, and morphology of individual particles are necessary for calculating the uptake coefficient, quantifying reactants and products, and understanding the reaction mechanism better. In this study, for the first time we used synchrotron radiation X-ray computed tomography（XCT） and micro-Raman spectrometry to measure individual CaCO_3 particle morphology, with sizes ranging from 3.5–6.5 μm. Particle surface area and volume were calculated using a reconstruction method based on software threedimensional（3-D） rendering. The XCT was first validated with high-resolution fieldemission scanning electron microscopy（FE-SEM） to acquire accurate CaCO_3 particle surface area and volume estimates. Our results showed an average difference of only 6.1% in surface area and 3.2% in volume measured either by micro-Raman spectrometry or X-ray tomography. X-ray tomography and FE-SEM can provide more morphological details of individual Ca CO3 particles than micro-Raman spectrometry. This study demonstrated that X-ray computed tomography and micro-Raman spectrometry can precisely measure the surface area, volume, and morphology of an individual particle.展开更多
The acidity of atmospheric aerosols influences fundamental physicochemical processes that affect climate and human health.We recently developed a novel and facilewater-probebased method for directly measuring of the p...The acidity of atmospheric aerosols influences fundamental physicochemical processes that affect climate and human health.We recently developed a novel and facilewater-probebased method for directly measuring of the pH for micrometer-size droplets,providing a promising technique to better understand aerosol acidity in the atmosphere.The complex chemical composition of fine particles in the ambient air,however,poses certain challenges to using a water-probe for pH measurement,including interference from interactions between compositions and the influence of similar compositions on water structure.To explore the universality of our method,it was employed to measure the pH of ammonium,nitrate,carbonate,sulfate,and chloride particles.The pH of particles covering a broad range(0–14)were accurately determined,thereby demonstrating that our method can be generally applied,even to alkaline particles.Furthermore,a standard spectral library was developed by integrating the standard spectra of common hydrated ions extracted through the waterprobe.The library can be employed to identify particle composition and overcome the spectral overlap problem resulting from similar effects.Using the spectral library,all ions were identified and their concentrations were determined,in turn allowing successful pH measurement of multicomponent(ammonium-sulfate-nitrate-chloride)particles.Insights into the synergistic effect of Cl^(–),NO_(3)^(–),and NH_(4)^(+)depletion obtained with our approach revealed the interplay between pH and volatile partitioning.Given the ubiquity of component partitioning and pH variation in particles,the water probemay provide a new perspective on the underlying mechanisms of aerosol aging and aerosol–cloud interaction.展开更多
The performance and price of copper-based micro linear products are determined by the diameter uniformity.How to accurately detect the wire diameter of long-length copper based micro linear products without cutting or...The performance and price of copper-based micro linear products are determined by the diameter uniformity.How to accurately detect the wire diameter of long-length copper based micro linear products without cutting or damage has always been a technical concern for production enterprises.Herein,a novel approach was developed for nondestructive detection of the average diameter at any given segment of a long copper wire by assessing the adsorption capacity of arginine on its surface.The amount of adsorbent on the surface of the copper wire exhibits a positive correlation with the area,which can be detected by extractive electrospray ionization mass spectrometry(EESI-MS)after online elution with ammonia.The experimental results demonstrated that the analysis can be completed within 15 min,with a good linear relationship between copper wires with different diameters and the adsorption capacity of arginine.The linear correlation coefficient R2was 0.995,the relative standard deviation was 1.10%-2.81%,and the detection limit reached 2.5μm(length of segment=4 cm),showing potential applications for facile measurement of the average diameter of various metal wires.展开更多
RNA modifications play vital regulatory roles in biological systems.Dysregulated RNA modifications themselves or their regulators are associated with various diseases,including cancers and immune related diseases.Howe...RNA modifications play vital regulatory roles in biological systems.Dysregulated RNA modifications themselves or their regulators are associated with various diseases,including cancers and immune related diseases.However,to the best of our knowledge,RNA modifications in peripheral white blood cells(immune cells)have not been systematically investigated before.Here we utilized hydrophilic interaction liquid chromatography-tandem mass spectrometry(HILIC-MS/MS)for the quantification of 19 chemical modifications in total RNA and 17 chemical modifications in small RNA in peripheral white blood cells from breast cancer patients and healthy controls.We found out 13 RNA modifications were up-regulated in total RNA samples of breast cancer patients.For small RNA samples,only N6-methyladenosine(m^(6)A)was down-regulated in breast cancer patients(P<0.0001).Receiver operating characteristic(ROC)curves analysis showed that N4-acetylcytidine(ac^(4)C)in total RNA had an area under curve(AUC)value of 0.833,and m^(6)A in small RNA had an AUC value of 0.994.Our results further illustrated that RNA modifications may play vital roles in immune cell biology of breast cancer,and may act as novel biomarkers for the diagnosis of breast cancer.展开更多
[Objectives]This study was conducted to quickly qualitatively and quantitatively analyze the residues of 10 plant growth regulators(PGRs)in bean sprouts.[Methods]Using bean sprouts as the test material,a high-performa...[Objectives]This study was conducted to quickly qualitatively and quantitatively analyze the residues of 10 plant growth regulators(PGRs)in bean sprouts.[Methods]Using bean sprouts as the test material,a high-performance liquid chromatography-tandem mass spectrometry(HPLC-MS/MS)method was established to determine the residual levels of 10 PGRs in bean sprouts.[Results]Under optimized conditions,the retention time of the 10 PGRs ranged from 6.45 to 11.43 min.When the mass concentration ranged from 0.005 to 0.05μg/ml,all PGRs exhibited good linearity,with correlation coefficients(r)≥0.9991.The limits of detection(LODs,S/N=3)were in the range of 0.30-0.92μg/kg,and the limits of quantification(LOQs)were in the range of 0.50-2.10μg/kg.The average recovery values at three concentration levels ranged from 80%to 105.8%,with relative standard deviations(RSD s,n=6)of 2.8%-7.5%.[Conclusions]This method is simple and accurate,and provides technical reference for food safety monitoring.展开更多
[Objectives]This study was conducted to establish a detection method for the simultaneous determination of 18 perfluorinated compounds(PFCs)in milk tea by ultra-high performance liquid chromatography-tandem mass spect...[Objectives]This study was conducted to establish a detection method for the simultaneous determination of 18 perfluorinated compounds(PFCs)in milk tea by ultra-high performance liquid chromatography-tandem mass spectrometry(UHPLC-MS/MS).[Methods]The samples were first subjected to precipitation of proteins by potassium ferrocyanide solution and zinc acetate solution,and then extracted by acetonitrile and detected by LC-MS/MS.Next,sodium chloride was added,and after vortex centrifugation,the acetonitrile layer was dried by blowing with nitrogen.Subsequently,1 ml of methanol was added to prepare a test solution.An ACQUITY UPLC BEH C18(2.6 m,2.1 mm×100 mm)chromatographic column was used for liquid phase separation,and gradient elution was performed using 10 mmol ammonium acetate solution-acetonitrile as the mobile phase.The MS detection adopted the MRM mode for acquisition,positive and negative ion mode switching for simultaneous determination,and external standard method for quantification.[Results]In the linear ranges of the target substances,the correlation coefficients R^(2)were all greater than 0.99.The detection limits of the method was in the range of 0.001-0.05μg/kg,and the quantitation limits were in the range of 0.03-0.20 ng/L.The recovery values ranged from 72.8%to 110.5%.[Conclusions]This method has high sensitivity and good accuracy,and thus strong practical value.展开更多
Traditional electrospray ionization tandem mass spectrometry(ESI-MS^(n))has been a powerful tool in diverse research areas,however,it faces great limitations in the study of protein-small molecule interactions.In this...Traditional electrospray ionization tandem mass spectrometry(ESI-MS^(n))has been a powerful tool in diverse research areas,however,it faces great limitations in the study of protein-small molecule interactions.In this article,the state-of-the-art temperature-controlled electrospray ionization tandem mass spectrometry(TC-ESI-MS^(n))is applied to investigate interactions between ubiquitin and two flavonol molecules,respectively.The combination of collision-induced dissociation(CID)and MS solution-melting experiments facilitates the understanding of flavonol-protein interactions in a new dimension across varying temperature ranges.While structural changes of proteins disturbed by small molecules are unseen in ESI-MS^(n),TC-ESI-MS^(n)allows a simultaneous assessment of the stability of the complex in both gas and liquid phases under various temperature conditions,meanwhile investigating the impact on the protein’s structure and tracking changes in thermodynamic data,and the characteristics of structural intermediates.展开更多
BACKGROUND Cardiovascular disease(CVD)and associated sequalae remain the leading cause of disability worldwide.Ischemic heart disease(IHD)and heart failure are the most common etiologies of morbidity and mortality wor...BACKGROUND Cardiovascular disease(CVD)and associated sequalae remain the leading cause of disability worldwide.Ischemic heart disease(IHD)and heart failure are the most common etiologies of morbidity and mortality worldwide.This is due to the poor diagnostic and management methods for heart failure and IHD.Early detection of related risk factors through modern strategies is underestimated and requires further research.AIM To interpret data from the published literature on volatile organic compounds(VOC),including all the methods used to analyze exhaled breath in patients with IHD and heart failure.METHODS Searches for specific keywords were performed on Scopus and PubMed.A total of 20 studies were identified in breath analysis and IHD and heart failure.The study is registered in PROSPERO(Registration No.CRD42023470556).RESULTS Considering the articles found,more research is required to gain a full understanding of the role of VOCs in IHD and heart failure.However,the existing literature demonstrates that cardiac metabolic changes can be expressed in exhaled air.The number of papers found is extremely low,making interpretation extremely difficult.CONCLUSION Exhaled breath analysis can be a novel biomarker for the diagnosis and prevention of heart failure and IHD.Exhaled breath analysis can be used as a mirror to reflect the metabolic changes related to IHD and heart failure.展开更多
The investigation of reaction kinetics is the key to understanding the nature of reaction processes.However,monitoring fast photochemical reactions by mass spectrometry remains challenging.Herein,we developed an optic...The investigation of reaction kinetics is the key to understanding the nature of reaction processes.However,monitoring fast photochemical reactions by mass spectrometry remains challenging.Herein,we developed an optical focusing inductive electrospray(OF-iESI)mass spectrometry platform for real-time and in-situ photoreaction monitoring.Coaxial irradiation from back of nanoelectrospray emitter with a taper section was utilized,so the emitter could act as optical lens to help achieving much larger optical power density at emitter tip compared to other sections,which allowed for in-situ reaction monitoring of photoreactions.Through theoretical calculations,the highest optical power density region volume was ca.45 nL.We also integrated a controller for the laser source(450 nm),enabling the modulation of pulse duration(>1 ms).This facilitates the study of photochemical reaction kinetics.The in-situ capability of this device was proved by capturing the short-lived photogenerated intermediates during the dehydrogenation of tetrahydroquinoline.This device was further used to investigate the kinetics of triplet energy transfer based Paternò-Büchi reaction.The reaction order has hitherto remained undetermined while the result of OF-iESI suggested it followed pseudo-second-order reaction kinetics.The short-lived donor-acceptor collision complex intermediate was also successfully identified by tandem mass spectrometry.展开更多
Polygonati rhizoma is often used in Chinese medicine and as food.In this study,atmospheric pressure matrixassisted laser desorption ionization and quadruple-time-of-flight(MALDI-Q-TOF)mass spectrometry techniques were...Polygonati rhizoma is often used in Chinese medicine and as food.In this study,atmospheric pressure matrixassisted laser desorption ionization and quadruple-time-of-flight(MALDI-Q-TOF)mass spectrometry techniques were applied to P.rhizoma samples from Polygonatum cyrtonema Hua species.Positive ions were mainly detected in the mass range of m/z 200-600,while negative ions were mainly observed in the mass range of m/z 100-450.A total of 263 components were identified and the spatial distribution and changes in saccharides contents during the steaming process of P.rhizoma were investigated.Monosaccharide and disaccharide exhibit a relatively uniform distribution,while the oligosaccharides were mainly found in the bast of fresh P.rhizoma.Although the contents of monosaccharide and disaccharide were increased during steaming,that of trisaccharide,tetrasaccharide,and pentasaccharide were decreased.We used the 5 saccharide types with the greatest variation in content as variables for the principal component analysis(PCA)and cluster analysis.Both PCA and cluster analysis showed that these 5 saccharides can be used as markers in the steaming process of the P.rhizoma.Present study of mass spectrometry imaging provides novel insights into the spatiotemporal accumulation patterns of saccharides in P.rhizoma,improving our understanding of the steaming process.展开更多
Aconiti Lateralis Radix Praeparata(Fuzi)represents a significant traditional Chinese medicine(TCM)that exhibits both notable pharmacological effects and toxicity.Various processing methods are implemented to reduce th...Aconiti Lateralis Radix Praeparata(Fuzi)represents a significant traditional Chinese medicine(TCM)that exhibits both notable pharmacological effects and toxicity.Various processing methods are implemented to reduce the toxicity of raw Fuzi by modifying its toxic and effective components,primarily diterpenoid alkaloids.To comprehensively analyze the chemical variations between different Fuzi products,ultra-high performance liquid chromatography-linear ion trap quadrupole Orbitrap mass spectrometry(UHPLC-LTQ-Orbitrap MS)was employed to systematically characterize Shengfuzi,Heishunpian and Baifupian.A total of 249 diterpenoid alkaloids present in Shengfuzi were identified,while only 111 and 61 in Heishunpian and Baifupian were detected respectively,indicating substantial differences among these products.An untargeted metabolomics approach combined with multivariate statistical analysis revealed 42 potential chemical markers.Through subsequent validation using 52 batches of commercial Heishunpian and Baifupian samples,8 robust markers distinguishing these products were identified,including AC1-propanoic acid-3OH,HE-glucoside,HE-hydroxyvaleric acid-2OH,dihydrosphingosine,N-dodecoxycarbonylvaline and three unknown compounds.Additionally,the MS imaging(MSI)technique was utilized to visualize the spatial distribution of chemical constituents in raw Fuzi,revealing how different processing procedures affect the chemical variations between Heishunpian and Baifupian.The distribution patterns of different diterpenoid alkaloid subtypes partially explained the chemical differences among products.This research provides valuable insights into the material basis for future investigations of different Fuzi products.展开更多
BACKGROUND Hypertension is a significant global health concern and serves as a critical risk factor for cardiovascular diseases,stroke,and renal failure.Traditional Chinese Medicine(TCM)has been utilized for an extend...BACKGROUND Hypertension is a significant global health concern and serves as a critical risk factor for cardiovascular diseases,stroke,and renal failure.Traditional Chinese Medicine(TCM)has been utilized for an extended period to address hypertension,with the syndrome known as Yin deficiency and Yang hyperactivity syndrome(YDYHS)frequently observed in individuals with elevated blood pressure.This syndrome is characterized by symptoms including dizziness,tinnitus,irritability,and insomnia,which are thought to result from an imbalance between Yin,representing the cooling and nourishing aspects,and Yang,denoting the active and warming aspects of the body.Despite the prevalent application of TCM in clinical settings,the metabolic mechanisms underlying the YDYHS in the context of hypertension remain inadequately elucidated.AIM To explore the differential plasma metabolites and associated pathways in hypertensive patients with YDYHS using gas chromatography-mass spectrometry(GC-MS)to elucidate the distinctive blood metabolite pattern in this patient population.METHODS GC-MS was used to analyze plasma samples from 51 hypertensive patients with YDYHS and 20 healthy controls.Chemometric methods,including principal component analysis and partial least squares discriminant analysis,were employed to identify potential biochemical patterns.Simultaneously,the high-quality Kyoto Encyclopedia of Genes and Genomes metabolic pathways database was used to identify associated metabolic pathways.Using variable importance in projection and receiver operating characteristic curve analyses,potential biomarkers were extracted to assess their clinical utility.RESULTS Metabolomic profiling of hypertensive patients with YDYHS identified 20 potential biomarkers(4-hydroxybenzoic acid,pectin,1,2,3-trihydroxybenzene,D-ribose,3-hydroxybutyric acid,quinic acid,L-lysine,oleic acid,2-hydroxybutyric acid,linoleic acid,citric acid,alpha-tocopherol,D-glucuronic acid,glycerol,N-acetyl-L-aspartic acid,betamannosylglycerate,indolelactic acid,L-glutamic acid,D-maltose,L-aspartic acid)and four metabolic pathways(linoleic acid metabolism;alanine,aspartate and glutamate metabolism;D-glutamine and D-glutamate metabolism;arginine biosynthesis).The identified differential metabolites may serve as potential biomarkers for distinguishing hypertensive patients with YDYHS from healthy controls.The area under the curve values ranged from 0.750 to 0.866.Receiver operating characteristic curve analysis showed that these differential metabolites can effectively classify hypertensive patients with YDYHS and healthy individuals.CONCLUSION The metabolomic analysis revealed a distinct blood metabolite pattern in hypertensive patients with YDYHS compared to the healthy control group,highlighting the potential role of the identified 20 biomarkers and four metabolic pathways in these patients.These findings may serve as an important material basis for understanding the occurrence and development of the disease,providing a scientific foundation for future clinical diagnosis.展开更多
Background:Diabetic foot,a severe complication of diabetes,is characterized by chronic refractory wounds.Sanhuang Oil,a topical herbal formula,demonstrates significant therapeutic effects including antibacterial,anti-...Background:Diabetic foot,a severe complication of diabetes,is characterized by chronic refractory wounds.Sanhuang Oil,a topical herbal formula,demonstrates significant therapeutic effects including antibacterial,anti-inflammatory,and immunomodulatory activities.However,its active constituents and mechanisms of action against diabetic foot remain to be elucidated.Methods:In this study,the chemical constituents of Sanhuang Oil were identified using UPLC-QE-Orbitrap-MS.Subsequently,the mechanism by which Sanhuang Oil promotes diabetic foot ulcer healing was predicted by integrating network pharmacology and molecular docking.Additionally,diabetic mouse model was established in ICR mice using a combination of a high-fat diet(HFD)and streptozotocin(STZ)chemical induction.A full-thickness skin defect was created on the dorsum of the mice.Wound healing and the healing rate were observed following Sanhuang Oil intervention.The mechanism underlying Sanhuang Oil’s promotion of diabetic ulcer healing was further investigated using transcriptomics and histopathological examination(H&E staining).Results:A total of 97 active ingredients were identified from Sanhuang Oil.Network pharmacology analysis predicted 543 common targets,and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis identified 203 relevant pathways.Molecular docking further confirmed high binding affinity(binding energy≤−5.0 kcal/mol)between specific active components in Sanhuang Oil(e.g.,coptisine,phellodendrine,baicalein)and key targets associated with diabetic foot ulcers(e.g.,EGFR,AKT1,STAT3).In vivo experimental results demonstrated that the wound healing rate was significantly higher in Sanhuang Oil-treated groups compared to the model group(P<0.001).HE staining revealed that the high-dose Sanhuang Oil group exhibited more pronounced epithelial tissue coverage over the wound,reduced inflammatory cell infiltration,and increased collagen deposition and fibroblast proliferation.transcriptomic analysis identified Pdk4,Ttn,Csrp3,Actn2,Myoz2,Tnnc2,Myod1,Myog,Myot,and Myf6 as key regulatory proteins involved in promoting wound healing.Conclusion:Sanhuang Oil promotes wound healing in diabetic ulcer mice,potentially by mitigating inflammation and regulating key targets such as Pdk4 to enhance fibroblast function.These findings provide novel insights into the multi-target,multi-pathway mechanism of Sanhuang Oil for treating diabetic foot ulcers.展开更多
As more and more studies have shown that lipid molecules play an important role in the whole biology,in-depth analysis of lipid structure has become particularly important in lipidomics.Mass spectrometry(MS),as the pr...As more and more studies have shown that lipid molecules play an important role in the whole biology,in-depth analysis of lipid structure has become particularly important in lipidomics.Mass spectrometry(MS),as the preferred tool for lipid analysis,has greatly promoted the development of this field.However,the existing MS methods still face many difficulties in the in-depth or even comprehensive analysis of lipid structure.In this review,we discuss recent advances in MS methods based on double bond-specific chemistries for the resolving of C=C location and geometry isomers of lipids.This progress has greatly advanced the lipidomics analysis to a deeper structural level and facilitated the development of structural lipid biology.展开更多
There is growing evidence that lipid metabolism instability in depressive disorder may be a core early pathological event associated with numerous pathogenesis hypotheses.However,spatial distributions and quantitative...There is growing evidence that lipid metabolism instability in depressive disorder may be a core early pathological event associated with numerous pathogenesis hypotheses.However,spatial distributions and quantitative changes of lipids in specific brain regions associated with depressive disorder are far from elucidated.In the present study,lipid profiling characteristics of whole brain sections are systematically determined by using matrix-assisted laser desorption ionization-mass spectrometry imaging(MALDI-MSI)-combined with histomorphological analysis in rats with depressive-like behavior induced by multiple early life stress(mELS)and unstressed control.Lipid dyshomeostasis and different degrees of metabolic disturbance occur in the eight paired representative brain sections from micro-region and molecular level.More specifically,17 lipid molecules show the severe dyshomeostasis between intergroup(control and depressed rats)or intra-group(multiple emotion-regulation-related brain regions).Quite specially,phosphatidylcholine(PC)(39:6)expression in section 7 is significantly upregulated only in the amygdala of depressed rat relative to control rat,by contrast,up-regulated phosphatidylglycerol(PG)(34:2)in section 2 emerges in the medial prefrontal cortex,insular cortex,and nucleus accumbens simultaneously.Linking spatial distribution to quantitative variation of lipids from the whole brain sections contributes the uncovering of new insights in causal mechanism of lipid dyshomeostasis in depression investigation and related targeting interventions.展开更多
Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attentio...Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attention.However,detecting selenium compounds in complex samples remains a challenge.In this work,we built an online heating-reaction device.This device combines the electrospray extraction ionization mass spectrometry(EESI-MS)with the heating reaction device,which can simultaneously detect various selenium compounds in complex liquid samples.Under acidic conditions,the sample was heated and catalyzed by a heating reaction device,so that the SeO~(2-)_(3)and O-phenylenediamine(OPD)could generate 1,3-dihydro-2,1,3-benzoselenadiazole.Based on the above reactions,we can detect organic selenium,inorganic selenium and other compounds in liquid samples by organic mass spectrometry.In this experiment,we determined the content of three forms of selenium:selenomethionine(SeMet),l-selenocystine(SeCys(2)),and sodium selenite.The calibration curves for SeMet,SeCys(2),and sodium selenite showed strong linearity within a range of 0.50-50.00μg/L.The limits of detection(LOD)for the three compounds were 0.22,0.27,and 0.41μg/L,respectively.The limits of quantification(LOQ)were 0.68,0.81,and 1.23μg/L,respectively.Spiked recoveries at three levels ranged from 98.8%to 106.1%.In addition,this method can simultaneously detect three selenium compounds and three other specific chemical components in tea infusion samples,providing a rapid and efficient method for identifying tea quality.展开更多
Exploring secondary organic aerosol(SOA)processes is crucial for understanding climate and air pollution in megacities.This study introduces a new method using positive matrix factorization(PMF)to investigate the SOA ...Exploring secondary organic aerosol(SOA)processes is crucial for understanding climate and air pollution in megacities.This study introduces a new method using positive matrix factorization(PMF)to investigate the SOA process by integrating the OA and associated ions previously misidentified as inorganic aerosol in high-resolution aerosol mass spectrometry data.The mass spectra and time series of primary OA(POA)and less oxidized oxygenated OA(OOA)identified by this new method resembled those resolved by traditional PMF.However,more oxidized OOA(MO-OOA)identified by traditional PMF can be further subdivided into multiple OA factors,including nitrogen-enriched OA(ON-OA)and sulfur-enriched OA(OS-OA)in summer,and ON-OA,OS-OA,and OOA in winter.Our findings highlight the significant role of photochemical processes in the formation of OS-OA compared to ON-OA.The compositions of reconstructed MO-OOA varied under different Ox(=O_(3)+NO_(2))and relative humidity conditions,emphasizing the limitations of using a constant mass spectrum.Aged biomass burning OA(BBOA)and coal combustion OA(CCOA),previously misattributed as POA,contributed 9.2%(0.43μg m^(−3))and 7.0%(0.33μg m^(−3))to SOA,respectively.Aged BBOA was more prone to forming OS-OA,whereas ON-OA showed higher correlations with aged CCOA,indicating distinct molecular compositions of SOA from different aged POA sources.Compared to aged BBOA,aged CCOA was more subject to conversion during aqueous phase processing.These results suggest that the variations in mass spectra and compositions need to be considered when simulating SOA processes.展开更多
Background:Polygonum multiflorum-induced liver injury(PM-DILI)has significantly hindered its clinical application and development.Methods:This study investigates the variation in content and toxicity of dian-thrones,t...Background:Polygonum multiflorum-induced liver injury(PM-DILI)has significantly hindered its clinical application and development.Methods:This study investigates the variation in content and toxicity of dian-thrones,the toxic components of P.multiflorum,during different processing cycles.We employed the ultra-high-performance liquid chromatography triple quadrupole mass spectrometry method to quantify six dianthrones in raw P.multiflorum and formulations processed with a method called nine cycles of steaming and sunning.Additionally,toxicity assessments were conducted using human normal liver cell line L02 and zebrafish embryos.Results:Results indicate a gradual reduction in dianthrones content with increasing processing cycles.Processed formulations exhibited significantly reduced cytotoxic-ity in L02 cells and hepatotoxicity in zebrafish embryos.Conclusions:Our findings elucidate the relationship between processing cycles and P.multiflorum toxicity,providing theoretical support for its safe use.展开更多
Arsenic speciation in freshwater fish is crucial for providing meaningful consumption guidelines that allow the public to make informed decisions regarding its consumption.While marine fish have attractedmuch research...Arsenic speciation in freshwater fish is crucial for providing meaningful consumption guidelines that allow the public to make informed decisions regarding its consumption.While marine fish have attractedmuch research interest due to their higher arsenic content,research on freshwater fish is limited due to the challenges in quantifying and identifying arsenic species present at trace levels.We describe here a sensitivemethod and its application to the quantification of arsenic species in freshwater fish.Arsenic species from fish tissues were extracted using a methanol/water mixture(1:1 vol.ratio)and ultrasound sonication.Anion-exchange high-performance liquid chromatography(HPLC)enabled separation of arsenobetaine(AsB),inorganic arsenite(iAs^(Ⅲ)),dimethylarsinic acid(DMA),monomethylarsonic acid(MMA),inorganic arsenate(iAs^(Ⅴ)),and three new arsenic species.Inductively coupled plasma mass spectrometry(ICPMS)provided highly sensitive and specific detection of arsenic.A limit of detection of 0.25μg/kg(wet weight fish tissue)was achieved for the five target arsenic species:AsB,iAs^(Ⅲ),DMA,MMA,and iAs^(Ⅴ).A series of experimentswere conducted to ensure the accuracy and validity of the analytical method.The method was successfully applied to the determination of arsenic species in lakewhitefish,northern pike,and walleye,with AsB,DMA,and iAs^(Ⅴ) being frequently detected.Three new arsenic species were detected,but their chromatographic retention times did not match with those of any available arsenic standards.Future research is necessary to elucidate the identity of these new arsenic species detected in freshwater fish.展开更多
This study established a method using gas chromatography-electrostatic field Orbitrap high-resolution mass spectrometry(Orbitrap GC-MS)for the simultaneous determination of 70 organic pollutants across 4 categories:or...This study established a method using gas chromatography-electrostatic field Orbitrap high-resolution mass spectrometry(Orbitrap GC-MS)for the simultaneous determination of 70 organic pollutants across 4 categories:organochlorine pesticides(OCPs),polycyclic aromatic hydrocarbons(PAHs),polychlorinated biphenyls(PCBs),and phthalates(PAEs)in infant cereal-based supplementary foods.Techniques integrating cryogenic centrifugation and lipid and protein adsorbent(LPAS)purification were employed.The precise mass numbers of target compounds were determined by Orbitrap GC-MS in full-scan mode(Full MS),which effectively minimized matrix interferences in these foods.Method validation on rice flour samples demonstrated that the 70 compounds exhibited excellent linearity within their respective mass concentration ranges,with correlation coefficients all exceeding 0.995.The detection limits for this method ranged 0.10–1.00μg/kg,while the quantification limits varied 0.3–3.0μg/kg,meeting the established detection requirements.The average spike recovery of the 70 compounds at 3 spiked levels(5,20,and 100μg/kg)ranged 75.3%–119.3%,with relative standard deviations ranging 1.8%–10.8%.Both inter-day and intra-day precision demonstrated relative standard deviation values below 15%.This method was applied to analyze 100 samples of commercial infant cereal-based supplementary food,revealing the presence of PAEs and PAHs in 12.0%of the samples.Notably,no OCPs or PCBs were detected.The detected concentrations of benzo[a]pyrene(Ba P)and dibutyl phthalate(DBP)were(4.2±0.1)and(1.8±0.3)μg/kg,respectively.This method is straightforward,highly sensitive,and suitable for the rapid screening and confirmation of 70 organic pollutants in infant cereal-based supplementary foods.展开更多
基金supported by the Chinese Ministry of Science and Technology(No.2008AA062503)the National Natural Science Foundation Committee of China(Nos.41421064,20637020)the China Postdoctoral Science Foundation(No.20100470166)
文摘Heterogeneous reactions on the aerosol particle surface in the atmosphere play important roles in air pollution, climate change, and global biogeochemical cycles. However, the reported uptake coefficients of heterogeneous reactions usually have large variations and may not be relevant to real atmospheric conditions. One of the major reasons for this is the use of bulk samples in laboratory experiments, while particles in the atmosphere are suspended individually. A number of technologies have been developed recently to study heterogeneous reactions on the surfaces of individual particles. Precise measurements on the reactive surface area, volume, and morphology of individual particles are necessary for calculating the uptake coefficient, quantifying reactants and products, and understanding the reaction mechanism better. In this study, for the first time we used synchrotron radiation X-ray computed tomography（XCT） and micro-Raman spectrometry to measure individual CaCO_3 particle morphology, with sizes ranging from 3.5–6.5 μm. Particle surface area and volume were calculated using a reconstruction method based on software threedimensional（3-D） rendering. The XCT was first validated with high-resolution fieldemission scanning electron microscopy（FE-SEM） to acquire accurate CaCO_3 particle surface area and volume estimates. Our results showed an average difference of only 6.1% in surface area and 3.2% in volume measured either by micro-Raman spectrometry or X-ray tomography. X-ray tomography and FE-SEM can provide more morphological details of individual Ca CO3 particles than micro-Raman spectrometry. This study demonstrated that X-ray computed tomography and micro-Raman spectrometry can precisely measure the surface area, volume, and morphology of an individual particle.
基金supported by the National Natural Science Foundation of China(No.91844000)China Postdoctoral Science Foundation(No.2020M670048).
文摘The acidity of atmospheric aerosols influences fundamental physicochemical processes that affect climate and human health.We recently developed a novel and facilewater-probebased method for directly measuring of the pH for micrometer-size droplets,providing a promising technique to better understand aerosol acidity in the atmosphere.The complex chemical composition of fine particles in the ambient air,however,poses certain challenges to using a water-probe for pH measurement,including interference from interactions between compositions and the influence of similar compositions on water structure.To explore the universality of our method,it was employed to measure the pH of ammonium,nitrate,carbonate,sulfate,and chloride particles.The pH of particles covering a broad range(0–14)were accurately determined,thereby demonstrating that our method can be generally applied,even to alkaline particles.Furthermore,a standard spectral library was developed by integrating the standard spectra of common hydrated ions extracted through the waterprobe.The library can be employed to identify particle composition and overcome the spectral overlap problem resulting from similar effects.Using the spectral library,all ions were identified and their concentrations were determined,in turn allowing successful pH measurement of multicomponent(ammonium-sulfate-nitrate-chloride)particles.Insights into the synergistic effect of Cl^(–),NO_(3)^(–),and NH_(4)^(+)depletion obtained with our approach revealed the interplay between pH and volatile partitioning.Given the ubiquity of component partitioning and pH variation in particles,the water probemay provide a new perspective on the underlying mechanisms of aerosol aging and aerosol–cloud interaction.
基金supported by the National Natural Science Foundation of China(No.22422402)National Key Research and Development Program of China(No.2022YFF0705300)Key Research and Development Program of Jiangxi Province(No.20232BBG70004)。
文摘The performance and price of copper-based micro linear products are determined by the diameter uniformity.How to accurately detect the wire diameter of long-length copper based micro linear products without cutting or damage has always been a technical concern for production enterprises.Herein,a novel approach was developed for nondestructive detection of the average diameter at any given segment of a long copper wire by assessing the adsorption capacity of arginine on its surface.The amount of adsorbent on the surface of the copper wire exhibits a positive correlation with the area,which can be detected by extractive electrospray ionization mass spectrometry(EESI-MS)after online elution with ammonia.The experimental results demonstrated that the analysis can be completed within 15 min,with a good linear relationship between copper wires with different diameters and the adsorption capacity of arginine.The linear correlation coefficient R2was 0.995,the relative standard deviation was 1.10%-2.81%,and the detection limit reached 2.5μm(length of segment=4 cm),showing potential applications for facile measurement of the average diameter of various metal wires.
基金supported by National Natural Science Foundation of China(Nos.21927810,22336004 and 22176167).
文摘RNA modifications play vital regulatory roles in biological systems.Dysregulated RNA modifications themselves or their regulators are associated with various diseases,including cancers and immune related diseases.However,to the best of our knowledge,RNA modifications in peripheral white blood cells(immune cells)have not been systematically investigated before.Here we utilized hydrophilic interaction liquid chromatography-tandem mass spectrometry(HILIC-MS/MS)for the quantification of 19 chemical modifications in total RNA and 17 chemical modifications in small RNA in peripheral white blood cells from breast cancer patients and healthy controls.We found out 13 RNA modifications were up-regulated in total RNA samples of breast cancer patients.For small RNA samples,only N6-methyladenosine(m^(6)A)was down-regulated in breast cancer patients(P<0.0001).Receiver operating characteristic(ROC)curves analysis showed that N4-acetylcytidine(ac^(4)C)in total RNA had an area under curve(AUC)value of 0.833,and m^(6)A in small RNA had an AUC value of 0.994.Our results further illustrated that RNA modifications may play vital roles in immune cell biology of breast cancer,and may act as novel biomarkers for the diagnosis of breast cancer.
基金Supported by Outstanding Talent Development Program of Hebei ProvinceTangshan Talent Funding Project(A202202005).
文摘[Objectives]This study was conducted to quickly qualitatively and quantitatively analyze the residues of 10 plant growth regulators(PGRs)in bean sprouts.[Methods]Using bean sprouts as the test material,a high-performance liquid chromatography-tandem mass spectrometry(HPLC-MS/MS)method was established to determine the residual levels of 10 PGRs in bean sprouts.[Results]Under optimized conditions,the retention time of the 10 PGRs ranged from 6.45 to 11.43 min.When the mass concentration ranged from 0.005 to 0.05μg/ml,all PGRs exhibited good linearity,with correlation coefficients(r)≥0.9991.The limits of detection(LODs,S/N=3)were in the range of 0.30-0.92μg/kg,and the limits of quantification(LOQs)were in the range of 0.50-2.10μg/kg.The average recovery values at three concentration levels ranged from 80%to 105.8%,with relative standard deviations(RSD s,n=6)of 2.8%-7.5%.[Conclusions]This method is simple and accurate,and provides technical reference for food safety monitoring.
基金Supported by Natural Science Foundation of Hunan Province(2024JJ8266).
文摘[Objectives]This study was conducted to establish a detection method for the simultaneous determination of 18 perfluorinated compounds(PFCs)in milk tea by ultra-high performance liquid chromatography-tandem mass spectrometry(UHPLC-MS/MS).[Methods]The samples were first subjected to precipitation of proteins by potassium ferrocyanide solution and zinc acetate solution,and then extracted by acetonitrile and detected by LC-MS/MS.Next,sodium chloride was added,and after vortex centrifugation,the acetonitrile layer was dried by blowing with nitrogen.Subsequently,1 ml of methanol was added to prepare a test solution.An ACQUITY UPLC BEH C18(2.6 m,2.1 mm×100 mm)chromatographic column was used for liquid phase separation,and gradient elution was performed using 10 mmol ammonium acetate solution-acetonitrile as the mobile phase.The MS detection adopted the MRM mode for acquisition,positive and negative ion mode switching for simultaneous determination,and external standard method for quantification.[Results]In the linear ranges of the target substances,the correlation coefficients R^(2)were all greater than 0.99.The detection limits of the method was in the range of 0.001-0.05μg/kg,and the quantitation limits were in the range of 0.03-0.20 ng/L.The recovery values ranged from 72.8%to 110.5%.[Conclusions]This method has high sensitivity and good accuracy,and thus strong practical value.
基金supports by the National Natural Science Foundation of China(No.22174037)the Joint Funds of the Hunan Provincial Natural Science Foundation of China(No.2023JJ50255)+1 种基金Changsha Science and Technology Project(No.Z202269490128)National Key Research and Development Program of China(No.2023YFF0613400)are appreciated.
文摘Traditional electrospray ionization tandem mass spectrometry(ESI-MS^(n))has been a powerful tool in diverse research areas,however,it faces great limitations in the study of protein-small molecule interactions.In this article,the state-of-the-art temperature-controlled electrospray ionization tandem mass spectrometry(TC-ESI-MS^(n))is applied to investigate interactions between ubiquitin and two flavonol molecules,respectively.The combination of collision-induced dissociation(CID)and MS solution-melting experiments facilitates the understanding of flavonol-protein interactions in a new dimension across varying temperature ranges.While structural changes of proteins disturbed by small molecules are unseen in ESI-MS^(n),TC-ESI-MS^(n)allows a simultaneous assessment of the stability of the complex in both gas and liquid phases under various temperature conditions,meanwhile investigating the impact on the protein’s structure and tracking changes in thermodynamic data,and the characteristics of structural intermediates.
基金Supported by the Government Assignment to Philipp Kopylov,No.1023022600020-6Russian Science Foundation Grant to Philipp Kopylov,No.24-15-00549the Ministry of Science and Higher Education of the Russian Federation within the Framework of State Support for the Creation and Development of World-Class Research Center to Basheer Marzoog and Peter Chomakhidze,No.075-15-2022-304.
文摘BACKGROUND Cardiovascular disease(CVD)and associated sequalae remain the leading cause of disability worldwide.Ischemic heart disease(IHD)and heart failure are the most common etiologies of morbidity and mortality worldwide.This is due to the poor diagnostic and management methods for heart failure and IHD.Early detection of related risk factors through modern strategies is underestimated and requires further research.AIM To interpret data from the published literature on volatile organic compounds(VOC),including all the methods used to analyze exhaled breath in patients with IHD and heart failure.METHODS Searches for specific keywords were performed on Scopus and PubMed.A total of 20 studies were identified in breath analysis and IHD and heart failure.The study is registered in PROSPERO(Registration No.CRD42023470556).RESULTS Considering the articles found,more research is required to gain a full understanding of the role of VOCs in IHD and heart failure.However,the existing literature demonstrates that cardiac metabolic changes can be expressed in exhaled air.The number of papers found is extremely low,making interpretation extremely difficult.CONCLUSION Exhaled breath analysis can be a novel biomarker for the diagnosis and prevention of heart failure and IHD.Exhaled breath analysis can be used as a mirror to reflect the metabolic changes related to IHD and heart failure.
基金financially supported by the National Natural Science Foundation of China(Nos.22104112 and 22374110)the Fundamental Research Funds for the Central Universities。
文摘The investigation of reaction kinetics is the key to understanding the nature of reaction processes.However,monitoring fast photochemical reactions by mass spectrometry remains challenging.Herein,we developed an optical focusing inductive electrospray(OF-iESI)mass spectrometry platform for real-time and in-situ photoreaction monitoring.Coaxial irradiation from back of nanoelectrospray emitter with a taper section was utilized,so the emitter could act as optical lens to help achieving much larger optical power density at emitter tip compared to other sections,which allowed for in-situ reaction monitoring of photoreactions.Through theoretical calculations,the highest optical power density region volume was ca.45 nL.We also integrated a controller for the laser source(450 nm),enabling the modulation of pulse duration(>1 ms).This facilitates the study of photochemical reaction kinetics.The in-situ capability of this device was proved by capturing the short-lived photogenerated intermediates during the dehydrogenation of tetrahydroquinoline.This device was further used to investigate the kinetics of triplet energy transfer based Paternò-Büchi reaction.The reaction order has hitherto remained undetermined while the result of OF-iESI suggested it followed pseudo-second-order reaction kinetics.The short-lived donor-acceptor collision complex intermediate was also successfully identified by tandem mass spectrometry.
基金funded by the Science and Technology Innovation Program of Hunan Province(2022RC1224,2022ZYC010)the Changsha Science and Technology Program(kh2004018)the Training Program for Excellent Young Innovators of Changsha(kq2206064)。
文摘Polygonati rhizoma is often used in Chinese medicine and as food.In this study,atmospheric pressure matrixassisted laser desorption ionization and quadruple-time-of-flight(MALDI-Q-TOF)mass spectrometry techniques were applied to P.rhizoma samples from Polygonatum cyrtonema Hua species.Positive ions were mainly detected in the mass range of m/z 200-600,while negative ions were mainly observed in the mass range of m/z 100-450.A total of 263 components were identified and the spatial distribution and changes in saccharides contents during the steaming process of P.rhizoma were investigated.Monosaccharide and disaccharide exhibit a relatively uniform distribution,while the oligosaccharides were mainly found in the bast of fresh P.rhizoma.Although the contents of monosaccharide and disaccharide were increased during steaming,that of trisaccharide,tetrasaccharide,and pentasaccharide were decreased.We used the 5 saccharide types with the greatest variation in content as variables for the principal component analysis(PCA)and cluster analysis.Both PCA and cluster analysis showed that these 5 saccharides can be used as markers in the steaming process of the P.rhizoma.Present study of mass spectrometry imaging provides novel insights into the spatiotemporal accumulation patterns of saccharides in P.rhizoma,improving our understanding of the steaming process.
基金supported by the Qi-Huang Chief Scientist Program of the National Administration of Traditional Chinese Medicine(2020)the National Key Research and Development Program of China(No.2022YFC3501705)+1 种基金Shanghai Sailing Program(No.23YF1447500)the China Postdoctoral Science Foundation(No.2023M732335).
文摘Aconiti Lateralis Radix Praeparata(Fuzi)represents a significant traditional Chinese medicine(TCM)that exhibits both notable pharmacological effects and toxicity.Various processing methods are implemented to reduce the toxicity of raw Fuzi by modifying its toxic and effective components,primarily diterpenoid alkaloids.To comprehensively analyze the chemical variations between different Fuzi products,ultra-high performance liquid chromatography-linear ion trap quadrupole Orbitrap mass spectrometry(UHPLC-LTQ-Orbitrap MS)was employed to systematically characterize Shengfuzi,Heishunpian and Baifupian.A total of 249 diterpenoid alkaloids present in Shengfuzi were identified,while only 111 and 61 in Heishunpian and Baifupian were detected respectively,indicating substantial differences among these products.An untargeted metabolomics approach combined with multivariate statistical analysis revealed 42 potential chemical markers.Through subsequent validation using 52 batches of commercial Heishunpian and Baifupian samples,8 robust markers distinguishing these products were identified,including AC1-propanoic acid-3OH,HE-glucoside,HE-hydroxyvaleric acid-2OH,dihydrosphingosine,N-dodecoxycarbonylvaline and three unknown compounds.Additionally,the MS imaging(MSI)technique was utilized to visualize the spatial distribution of chemical constituents in raw Fuzi,revealing how different processing procedures affect the chemical variations between Heishunpian and Baifupian.The distribution patterns of different diterpenoid alkaloid subtypes partially explained the chemical differences among products.This research provides valuable insights into the material basis for future investigations of different Fuzi products.
基金Supported by the Projects of Design and Statistics of Clinical Trials in Traditional Chinese Medicine,No.A YXC2022-01-0110Exploring the Mechanism by which Pingyang Yuyin Granules Improve Hypertensive Kidney Injury Based on the'Balance'Theory of PPARγ/HGF and TGF-β1/Smads Signaling Pathways,No.Y2022ZR09.
文摘BACKGROUND Hypertension is a significant global health concern and serves as a critical risk factor for cardiovascular diseases,stroke,and renal failure.Traditional Chinese Medicine(TCM)has been utilized for an extended period to address hypertension,with the syndrome known as Yin deficiency and Yang hyperactivity syndrome(YDYHS)frequently observed in individuals with elevated blood pressure.This syndrome is characterized by symptoms including dizziness,tinnitus,irritability,and insomnia,which are thought to result from an imbalance between Yin,representing the cooling and nourishing aspects,and Yang,denoting the active and warming aspects of the body.Despite the prevalent application of TCM in clinical settings,the metabolic mechanisms underlying the YDYHS in the context of hypertension remain inadequately elucidated.AIM To explore the differential plasma metabolites and associated pathways in hypertensive patients with YDYHS using gas chromatography-mass spectrometry(GC-MS)to elucidate the distinctive blood metabolite pattern in this patient population.METHODS GC-MS was used to analyze plasma samples from 51 hypertensive patients with YDYHS and 20 healthy controls.Chemometric methods,including principal component analysis and partial least squares discriminant analysis,were employed to identify potential biochemical patterns.Simultaneously,the high-quality Kyoto Encyclopedia of Genes and Genomes metabolic pathways database was used to identify associated metabolic pathways.Using variable importance in projection and receiver operating characteristic curve analyses,potential biomarkers were extracted to assess their clinical utility.RESULTS Metabolomic profiling of hypertensive patients with YDYHS identified 20 potential biomarkers(4-hydroxybenzoic acid,pectin,1,2,3-trihydroxybenzene,D-ribose,3-hydroxybutyric acid,quinic acid,L-lysine,oleic acid,2-hydroxybutyric acid,linoleic acid,citric acid,alpha-tocopherol,D-glucuronic acid,glycerol,N-acetyl-L-aspartic acid,betamannosylglycerate,indolelactic acid,L-glutamic acid,D-maltose,L-aspartic acid)and four metabolic pathways(linoleic acid metabolism;alanine,aspartate and glutamate metabolism;D-glutamine and D-glutamate metabolism;arginine biosynthesis).The identified differential metabolites may serve as potential biomarkers for distinguishing hypertensive patients with YDYHS from healthy controls.The area under the curve values ranged from 0.750 to 0.866.Receiver operating characteristic curve analysis showed that these differential metabolites can effectively classify hypertensive patients with YDYHS and healthy individuals.CONCLUSION The metabolomic analysis revealed a distinct blood metabolite pattern in hypertensive patients with YDYHS compared to the healthy control group,highlighting the potential role of the identified 20 biomarkers and four metabolic pathways in these patients.These findings may serve as an important material basis for understanding the occurrence and development of the disease,providing a scientific foundation for future clinical diagnosis.
基金supported by the Natural Science Foundation of Hubei Provincial Department of Education(D20232101)Shandong Second Medical University 2024 Affiliated Hospital(Teaching Hospital)Scientific Research Development Fund Project(2024FYQ026)+3 种基金the innovative Research Programme of Xiangyang No.1 People’s Hospital(XYY2023ZY01)Faculty Development Grants of Xiangyang No.1 People’s Hospital Affiliated to Hubei University of Medicine(XYY2023D05)Joint supported by Hubei Provincial Natural Science Foundation and Xiangyang of China(2025AFD091)Traditional Chinese Medicine Scientific Research Project of Hubei Provincial Administration of Traditional Chinese Medicine(ZY2025D019).
文摘Background:Diabetic foot,a severe complication of diabetes,is characterized by chronic refractory wounds.Sanhuang Oil,a topical herbal formula,demonstrates significant therapeutic effects including antibacterial,anti-inflammatory,and immunomodulatory activities.However,its active constituents and mechanisms of action against diabetic foot remain to be elucidated.Methods:In this study,the chemical constituents of Sanhuang Oil were identified using UPLC-QE-Orbitrap-MS.Subsequently,the mechanism by which Sanhuang Oil promotes diabetic foot ulcer healing was predicted by integrating network pharmacology and molecular docking.Additionally,diabetic mouse model was established in ICR mice using a combination of a high-fat diet(HFD)and streptozotocin(STZ)chemical induction.A full-thickness skin defect was created on the dorsum of the mice.Wound healing and the healing rate were observed following Sanhuang Oil intervention.The mechanism underlying Sanhuang Oil’s promotion of diabetic ulcer healing was further investigated using transcriptomics and histopathological examination(H&E staining).Results:A total of 97 active ingredients were identified from Sanhuang Oil.Network pharmacology analysis predicted 543 common targets,and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analysis identified 203 relevant pathways.Molecular docking further confirmed high binding affinity(binding energy≤−5.0 kcal/mol)between specific active components in Sanhuang Oil(e.g.,coptisine,phellodendrine,baicalein)and key targets associated with diabetic foot ulcers(e.g.,EGFR,AKT1,STAT3).In vivo experimental results demonstrated that the wound healing rate was significantly higher in Sanhuang Oil-treated groups compared to the model group(P<0.001).HE staining revealed that the high-dose Sanhuang Oil group exhibited more pronounced epithelial tissue coverage over the wound,reduced inflammatory cell infiltration,and increased collagen deposition and fibroblast proliferation.transcriptomic analysis identified Pdk4,Ttn,Csrp3,Actn2,Myoz2,Tnnc2,Myod1,Myog,Myot,and Myf6 as key regulatory proteins involved in promoting wound healing.Conclusion:Sanhuang Oil promotes wound healing in diabetic ulcer mice,potentially by mitigating inflammation and regulating key targets such as Pdk4 to enhance fibroblast function.These findings provide novel insights into the multi-target,multi-pathway mechanism of Sanhuang Oil for treating diabetic foot ulcers.
基金financially supported by the National Natural Science Foundation of China(No.22074111)National Key Research and Development Program of China(No.2021YFC2700700)the Opening fund of Hubei Key Laboratory of Bioinorganic Chemistry&Materia Medica(No.BCMM202303)。
文摘As more and more studies have shown that lipid molecules play an important role in the whole biology,in-depth analysis of lipid structure has become particularly important in lipidomics.Mass spectrometry(MS),as the preferred tool for lipid analysis,has greatly promoted the development of this field.However,the existing MS methods still face many difficulties in the in-depth or even comprehensive analysis of lipid structure.In this review,we discuss recent advances in MS methods based on double bond-specific chemistries for the resolving of C=C location and geometry isomers of lipids.This progress has greatly advanced the lipidomics analysis to a deeper structural level and facilitated the development of structural lipid biology.
基金supported by the China Science and Technology Innovation 2030-Major Project(Nos.2022ZD0211701,2021ZD0200700)the National Natural Science Foundation of China(Nos.82130042,81830040,22176195,82127801)+3 种基金Shenzhen Science and Technology Serial Funds(Nos.GJHZ20210705141400002,KCXFZ20211020164543006,JCYJ20220818101615033,ZDSYS20220606100606014,KQTD 20221101093608028)the National Key R&D Program of China(No.2022YFF0705003)Guangdong Province Zhu Jiang Talents Plan(No.2021QN02Y028)the Guangdong Science and Technology Department(No.2021B1212030004)。
文摘There is growing evidence that lipid metabolism instability in depressive disorder may be a core early pathological event associated with numerous pathogenesis hypotheses.However,spatial distributions and quantitative changes of lipids in specific brain regions associated with depressive disorder are far from elucidated.In the present study,lipid profiling characteristics of whole brain sections are systematically determined by using matrix-assisted laser desorption ionization-mass spectrometry imaging(MALDI-MSI)-combined with histomorphological analysis in rats with depressive-like behavior induced by multiple early life stress(mELS)and unstressed control.Lipid dyshomeostasis and different degrees of metabolic disturbance occur in the eight paired representative brain sections from micro-region and molecular level.More specifically,17 lipid molecules show the severe dyshomeostasis between intergroup(control and depressed rats)or intra-group(multiple emotion-regulation-related brain regions).Quite specially,phosphatidylcholine(PC)(39:6)expression in section 7 is significantly upregulated only in the amygdala of depressed rat relative to control rat,by contrast,up-regulated phosphatidylglycerol(PG)(34:2)in section 2 emerges in the medial prefrontal cortex,insular cortex,and nucleus accumbens simultaneously.Linking spatial distribution to quantitative variation of lipids from the whole brain sections contributes the uncovering of new insights in causal mechanism of lipid dyshomeostasis in depression investigation and related targeting interventions.
基金financially supported by Jiangxi University of Chinese Medicine School-level Science and Technology Innovation Team Development Program(No.CXTD22005)PhD research startup fund of Jiangxi University of Chinese Medicine(No.2023BSZR005)。
文摘Selenium is one of the important trace elements in the human body.Its deficiency will directly affect human health.With people's attention to health,the content of selenium in food has gradually attracted attention.However,detecting selenium compounds in complex samples remains a challenge.In this work,we built an online heating-reaction device.This device combines the electrospray extraction ionization mass spectrometry(EESI-MS)with the heating reaction device,which can simultaneously detect various selenium compounds in complex liquid samples.Under acidic conditions,the sample was heated and catalyzed by a heating reaction device,so that the SeO~(2-)_(3)and O-phenylenediamine(OPD)could generate 1,3-dihydro-2,1,3-benzoselenadiazole.Based on the above reactions,we can detect organic selenium,inorganic selenium and other compounds in liquid samples by organic mass spectrometry.In this experiment,we determined the content of three forms of selenium:selenomethionine(SeMet),l-selenocystine(SeCys(2)),and sodium selenite.The calibration curves for SeMet,SeCys(2),and sodium selenite showed strong linearity within a range of 0.50-50.00μg/L.The limits of detection(LOD)for the three compounds were 0.22,0.27,and 0.41μg/L,respectively.The limits of quantification(LOQ)were 0.68,0.81,and 1.23μg/L,respectively.Spiked recoveries at three levels ranged from 98.8%to 106.1%.In addition,this method can simultaneously detect three selenium compounds and three other specific chemical components in tea infusion samples,providing a rapid and efficient method for identifying tea quality.
基金supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No.XDB0760200)the National Natural Science Foundation of China(Grant No.42377101,91744207).
文摘Exploring secondary organic aerosol(SOA)processes is crucial for understanding climate and air pollution in megacities.This study introduces a new method using positive matrix factorization(PMF)to investigate the SOA process by integrating the OA and associated ions previously misidentified as inorganic aerosol in high-resolution aerosol mass spectrometry data.The mass spectra and time series of primary OA(POA)and less oxidized oxygenated OA(OOA)identified by this new method resembled those resolved by traditional PMF.However,more oxidized OOA(MO-OOA)identified by traditional PMF can be further subdivided into multiple OA factors,including nitrogen-enriched OA(ON-OA)and sulfur-enriched OA(OS-OA)in summer,and ON-OA,OS-OA,and OOA in winter.Our findings highlight the significant role of photochemical processes in the formation of OS-OA compared to ON-OA.The compositions of reconstructed MO-OOA varied under different Ox(=O_(3)+NO_(2))and relative humidity conditions,emphasizing the limitations of using a constant mass spectrum.Aged biomass burning OA(BBOA)and coal combustion OA(CCOA),previously misattributed as POA,contributed 9.2%(0.43μg m^(−3))and 7.0%(0.33μg m^(−3))to SOA,respectively.Aged BBOA was more prone to forming OS-OA,whereas ON-OA showed higher correlations with aged CCOA,indicating distinct molecular compositions of SOA from different aged POA sources.Compared to aged BBOA,aged CCOA was more subject to conversion during aqueous phase processing.These results suggest that the variations in mass spectra and compositions need to be considered when simulating SOA processes.
基金National Natural Science Foundation of China,Grant/Award Number:81973476Chinese Society of Toxicology,Grant/Award Number:CST2021CT101。
文摘Background:Polygonum multiflorum-induced liver injury(PM-DILI)has significantly hindered its clinical application and development.Methods:This study investigates the variation in content and toxicity of dian-thrones,the toxic components of P.multiflorum,during different processing cycles.We employed the ultra-high-performance liquid chromatography triple quadrupole mass spectrometry method to quantify six dianthrones in raw P.multiflorum and formulations processed with a method called nine cycles of steaming and sunning.Additionally,toxicity assessments were conducted using human normal liver cell line L02 and zebrafish embryos.Results:Results indicate a gradual reduction in dianthrones content with increasing processing cycles.Processed formulations exhibited significantly reduced cytotoxic-ity in L02 cells and hepatotoxicity in zebrafish embryos.Conclusions:Our findings elucidate the relationship between processing cycles and P.multiflorum toxicity,providing theoretical support for its safe use.
基金supported by Alberta Health,Alberta Innovates,the Canada Research Chairs Program,the Canadian Institutes of Health Research,and the Natural Sciences and Engineering Research Council of Canada。
文摘Arsenic speciation in freshwater fish is crucial for providing meaningful consumption guidelines that allow the public to make informed decisions regarding its consumption.While marine fish have attractedmuch research interest due to their higher arsenic content,research on freshwater fish is limited due to the challenges in quantifying and identifying arsenic species present at trace levels.We describe here a sensitivemethod and its application to the quantification of arsenic species in freshwater fish.Arsenic species from fish tissues were extracted using a methanol/water mixture(1:1 vol.ratio)and ultrasound sonication.Anion-exchange high-performance liquid chromatography(HPLC)enabled separation of arsenobetaine(AsB),inorganic arsenite(iAs^(Ⅲ)),dimethylarsinic acid(DMA),monomethylarsonic acid(MMA),inorganic arsenate(iAs^(Ⅴ)),and three new arsenic species.Inductively coupled plasma mass spectrometry(ICPMS)provided highly sensitive and specific detection of arsenic.A limit of detection of 0.25μg/kg(wet weight fish tissue)was achieved for the five target arsenic species:AsB,iAs^(Ⅲ),DMA,MMA,and iAs^(Ⅴ).A series of experimentswere conducted to ensure the accuracy and validity of the analytical method.The method was successfully applied to the determination of arsenic species in lakewhitefish,northern pike,and walleye,with AsB,DMA,and iAs^(Ⅴ) being frequently detected.Three new arsenic species were detected,but their chromatographic retention times did not match with those of any available arsenic standards.Future research is necessary to elucidate the identity of these new arsenic species detected in freshwater fish.
基金funded by National Key Research and Development Program for Young Scientists of China(2022YFF1102900)Hebei Province High-level Talent Funding Project(C20221009)。
文摘This study established a method using gas chromatography-electrostatic field Orbitrap high-resolution mass spectrometry(Orbitrap GC-MS)for the simultaneous determination of 70 organic pollutants across 4 categories:organochlorine pesticides(OCPs),polycyclic aromatic hydrocarbons(PAHs),polychlorinated biphenyls(PCBs),and phthalates(PAEs)in infant cereal-based supplementary foods.Techniques integrating cryogenic centrifugation and lipid and protein adsorbent(LPAS)purification were employed.The precise mass numbers of target compounds were determined by Orbitrap GC-MS in full-scan mode(Full MS),which effectively minimized matrix interferences in these foods.Method validation on rice flour samples demonstrated that the 70 compounds exhibited excellent linearity within their respective mass concentration ranges,with correlation coefficients all exceeding 0.995.The detection limits for this method ranged 0.10–1.00μg/kg,while the quantification limits varied 0.3–3.0μg/kg,meeting the established detection requirements.The average spike recovery of the 70 compounds at 3 spiked levels(5,20,and 100μg/kg)ranged 75.3%–119.3%,with relative standard deviations ranging 1.8%–10.8%.Both inter-day and intra-day precision demonstrated relative standard deviation values below 15%.This method was applied to analyze 100 samples of commercial infant cereal-based supplementary food,revealing the presence of PAEs and PAHs in 12.0%of the samples.Notably,no OCPs or PCBs were detected.The detected concentrations of benzo[a]pyrene(Ba P)and dibutyl phthalate(DBP)were(4.2±0.1)and(1.8±0.3)μg/kg,respectively.This method is straightforward,highly sensitive,and suitable for the rapid screening and confirmation of 70 organic pollutants in infant cereal-based supplementary foods.
