目的:探讨利用基质辅助激光解吸电离飞行时间质谱(MALDI-TOF-MS)技术快速鉴定灵芝的可行性。方法:采集灵芝菌丝、子实体、孢子样本后,用Autof ms800全自动微生物质谱检测系统检测,Autof Acquirer进行分析处理。结果:经过检测,得到了灵...目的:探讨利用基质辅助激光解吸电离飞行时间质谱(MALDI-TOF-MS)技术快速鉴定灵芝的可行性。方法:采集灵芝菌丝、子实体、孢子样本后,用Autof ms800全自动微生物质谱检测系统检测,Autof Acquirer进行分析处理。结果:经过检测,得到了灵芝的蛋白指纹图谱。其蛋白指纹图谱可以分为四部分:菌丝图谱、产孢子前子实体图谱、产孢子后子实体图谱、孢子图谱。以此初步建立数据库后,可快速鉴定未知样本是否为本品种灵芝。结论:MALDI-TOF-MS技术快速鉴定灵芝具有可行性。Objective: To explore the feasibility of rapid identification of Ganoderma lucidum by using MALDI-TOF-MS technique. Methods: The samples of Ganoderma lucidum mycelium, fruiting bodies, and spores were collected first and then detected by Autof ms800 automatic microbial mass spectrometry system and analyzed by Autof Acquirer finally. Results: After testing, the protein fingerprint of Ganoderma lucidum was obtained. Its protein fingerprint can be divided into four parts: hyphal profile, pre-sporulation fruiting body profile, post-sporulation fruiting body profile, and spore profile. After initially establishing a database with this, it is possible to quickly identify whether unknown samples are of this variety of Ganoderma lucidum. Conclusion: It is feasible for rapid identification of Ganoderma lucidum by MALDI-TOF-MS technique.展开更多
Steroid hormones,synthesized from cholesterol via cytochrome P450 enzymes,are categorized into adrenocortical hormones and sex hormones.Their monitoring is crucial in clinical and research settings for evaluating dise...Steroid hormones,synthesized from cholesterol via cytochrome P450 enzymes,are categorized into adrenocortical hormones and sex hormones.Their monitoring is crucial in clinical and research settings for evaluating disease risk and physiological shifts,as well as for managing medical conditions.The structural similarity and concentration differences of steroid hormones in biological samples create significant challenges for analysis.Traditional immunoassays(IAs)are now less effective due to cross-reactivity and other limitations.Advances in mass spectrometry(MS),especially liquid chromatography-tandem mass spectrometry,have become preferred for steroid hormone detection,establishing a new“gold standard”in the field.The paper examines the influence of various pretreatment methods on the sensitivity and detection limits of steroid hormones,including protein precipitation,liquid–liquid extraction,solid-phase extraction,cold-induced phase separation technique,and derivatization technique,providing a crucial reference for clinical steroid detection.This paper reviews IAs and MS methods used recently(2013–2023)for detecting endogenous steroid hormones,highlighting their analytical strengths and limitations.It also discusses recent advancements and future prospects in both IA and MS methodologies.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
Agarwood is a resinous wood produced by plants of the genus Aquilaria in the Thymelaeaceae family after being injured.The wide distribution of origins and the complexity of formation have led to various species of aga...Agarwood is a resinous wood produced by plants of the genus Aquilaria in the Thymelaeaceae family after being injured.The wide distribution of origins and the complexity of formation have led to various species of agarwood.The preciousness,universality of application and scarcity of resources bring difficulties to the quality control of agarwood,the in-situ ionization technique shows great potential in the rapid and accurate identification of valuable herbal medicines.In this paper,based on the combination of paper capillary spray and miniature mass spectrometry,different kinds of agarwood and counterfeits were directly added onto the chromatography paper,the active ingredients were extracted by solvent and then carried out by the portable miniature mass spectrometry,which could be implemented to perform an effective and on-site analysis,and the whole process only took about 1 min.Characteristic highly oxidized 2-(2-phenylethyl)chromones and flindersia-type 2-(2-phenylethyl)chromones were detected in authentic agarwood,and other characteristic flindersia-type 2-(2-phenylethyl)chromones were detected in authentic Kynam agarwood(special variety of agarwood),while the above characteristic components were not detected in counterfeits.Furthermore,an artificial intelligence model based on random forest algorithm was established for automatic identification.This approach is versatile,unfettered by location or environmental constraints,making it particularly valuable in the identification of precious Chinese herbal medicines.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
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
Triacylglycerols(TGs)are the main constituents(95%-98%)of plant oil with high nutritional value.They are usually determined by high performance liquid chromatography coupled with mass spectrometry(HPLC-MS)which takes ...Triacylglycerols(TGs)are the main constituents(95%-98%)of plant oil with high nutritional value.They are usually determined by high performance liquid chromatography coupled with mass spectrometry(HPLC-MS)which takes a relatively long time during chromatographic separation.Therefore,in this study,a method about fast determination and quantification of TGs in plant oil based on MALDI-TOF-MS(matrix-assisted laser desorption ionization time-of-flight mass spectrometry)was established.OCNT(oxidized carbon nanotube)and CNT(carbon nanotube)were firstly used as matrix of MALDI-TOF-MS for TGs identification.Satisfyingly,OCNT showed good ionization efficiency,especially when used with CHCA(α-Cyano-4-hydroxy cinnamic acid).Sandwich method was optimized to solve the problem that how matrix and sample were deposited to the plate well and to improve ionization efficiency.Nine calibration curves were established for TGs quantification analysis in plant oil.To verify the accuracy of this method,relative content(%)of fatty acids(FAs)calculated from TGs in peanut oil,rapeseed oil,and soybean oil,respectively,by MALDI-TOF-MS were compared with that calculated from FAMEs(fatty acid methyl esters)by gas chromatography.In general,the results were relatively consistent,proving that this method was convenient,fast and accurate for the determination of main TG molecular species in plant oil.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
目的通过扩充基质辅助激光解吸电离飞行时间质谱(matrixassisted laser desorption ionization-time of flight mass spectrometry,MALDI-TOF-MS)的数据库研究宋内志贺菌的鉴定。方法用提取法进行宋内志贺菌质谱图的建库,建库后分别使...目的通过扩充基质辅助激光解吸电离飞行时间质谱(matrixassisted laser desorption ionization-time of flight mass spectrometry,MALDI-TOF-MS)的数据库研究宋内志贺菌的鉴定。方法用提取法进行宋内志贺菌质谱图的建库,建库后分别使用直接涂抹法和提取法对50株宋内志贺菌野生株进行鉴定。结果提取法的鉴定符合率为100%,而直接涂抹法的鉴定符合率为60%。结论 MALDI-TOF-MS通过数据库的扩充和流程的优化可以鉴定宋内志贺菌到血清学水平,它将会成为临床微生物实验室的诊断和鉴别工具。展开更多
文摘目的:探讨利用基质辅助激光解吸电离飞行时间质谱(MALDI-TOF-MS)技术快速鉴定灵芝的可行性。方法:采集灵芝菌丝、子实体、孢子样本后,用Autof ms800全自动微生物质谱检测系统检测,Autof Acquirer进行分析处理。结果:经过检测,得到了灵芝的蛋白指纹图谱。其蛋白指纹图谱可以分为四部分:菌丝图谱、产孢子前子实体图谱、产孢子后子实体图谱、孢子图谱。以此初步建立数据库后,可快速鉴定未知样本是否为本品种灵芝。结论:MALDI-TOF-MS技术快速鉴定灵芝具有可行性。Objective: To explore the feasibility of rapid identification of Ganoderma lucidum by using MALDI-TOF-MS technique. Methods: The samples of Ganoderma lucidum mycelium, fruiting bodies, and spores were collected first and then detected by Autof ms800 automatic microbial mass spectrometry system and analyzed by Autof Acquirer finally. Results: After testing, the protein fingerprint of Ganoderma lucidum was obtained. Its protein fingerprint can be divided into four parts: hyphal profile, pre-sporulation fruiting body profile, post-sporulation fruiting body profile, and spore profile. After initially establishing a database with this, it is possible to quickly identify whether unknown samples are of this variety of Ganoderma lucidum. Conclusion: It is feasible for rapid identification of Ganoderma lucidum by MALDI-TOF-MS technique.
基金China Postdoctoral Science Foundation(2021M702937)for the financial support。
文摘Steroid hormones,synthesized from cholesterol via cytochrome P450 enzymes,are categorized into adrenocortical hormones and sex hormones.Their monitoring is crucial in clinical and research settings for evaluating disease risk and physiological shifts,as well as for managing medical conditions.The structural similarity and concentration differences of steroid hormones in biological samples create significant challenges for analysis.Traditional immunoassays(IAs)are now less effective due to cross-reactivity and other limitations.Advances in mass spectrometry(MS),especially liquid chromatography-tandem mass spectrometry,have become preferred for steroid hormone detection,establishing a new“gold standard”in the field.The paper examines the influence of various pretreatment methods on the sensitivity and detection limits of steroid hormones,including protein precipitation,liquid–liquid extraction,solid-phase extraction,cold-induced phase separation technique,and derivatization technique,providing a crucial reference for clinical steroid detection.This paper reviews IAs and MS methods used recently(2013–2023)for detecting endogenous steroid hormones,highlighting their analytical strengths and limitations.It also discusses recent advancements and future prospects in both IA and MS methodologies.
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supported by the National Natural Science Foundation of China(82274223)National Drug Standard Improvement Project(2023Z002)。
文摘Agarwood is a resinous wood produced by plants of the genus Aquilaria in the Thymelaeaceae family after being injured.The wide distribution of origins and the complexity of formation have led to various species of agarwood.The preciousness,universality of application and scarcity of resources bring difficulties to the quality control of agarwood,the in-situ ionization technique shows great potential in the rapid and accurate identification of valuable herbal medicines.In this paper,based on the combination of paper capillary spray and miniature mass spectrometry,different kinds of agarwood and counterfeits were directly added onto the chromatography paper,the active ingredients were extracted by solvent and then carried out by the portable miniature mass spectrometry,which could be implemented to perform an effective and on-site analysis,and the whole process only took about 1 min.Characteristic highly oxidized 2-(2-phenylethyl)chromones and flindersia-type 2-(2-phenylethyl)chromones were detected in authentic agarwood,and other characteristic flindersia-type 2-(2-phenylethyl)chromones were detected in authentic Kynam agarwood(special variety of agarwood),while the above characteristic components were not detected in counterfeits.Furthermore,an artificial intelligence model based on random forest algorithm was established for automatic identification.This approach is versatile,unfettered by location or environmental constraints,making it particularly valuable in the identification of precious Chinese herbal medicines.
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 National Natural Science Foundation of China (31571926)the Agricultural Science and Technology Innovation Project of Chinese Academy of Agricultural Sciences (CAASASTIP-2013-OCRI)the Key Laboratory of Analytical Chemistry for Biology and Medicine (Ministry of Education) of Department of Chemistry of Wuhan University
文摘Triacylglycerols(TGs)are the main constituents(95%-98%)of plant oil with high nutritional value.They are usually determined by high performance liquid chromatography coupled with mass spectrometry(HPLC-MS)which takes a relatively long time during chromatographic separation.Therefore,in this study,a method about fast determination and quantification of TGs in plant oil based on MALDI-TOF-MS(matrix-assisted laser desorption ionization time-of-flight mass spectrometry)was established.OCNT(oxidized carbon nanotube)and CNT(carbon nanotube)were firstly used as matrix of MALDI-TOF-MS for TGs identification.Satisfyingly,OCNT showed good ionization efficiency,especially when used with CHCA(α-Cyano-4-hydroxy cinnamic acid).Sandwich method was optimized to solve the problem that how matrix and sample were deposited to the plate well and to improve ionization efficiency.Nine calibration curves were established for TGs quantification analysis in plant oil.To verify the accuracy of this method,relative content(%)of fatty acids(FAs)calculated from TGs in peanut oil,rapeseed oil,and soybean oil,respectively,by MALDI-TOF-MS were compared with that calculated from FAMEs(fatty acid methyl esters)by gas chromatography.In general,the results were relatively consistent,proving that this method was convenient,fast and accurate for the determination of main TG molecular species in plant oil.
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.
文摘目的通过扩充基质辅助激光解吸电离飞行时间质谱(matrixassisted laser desorption ionization-time of flight mass spectrometry,MALDI-TOF-MS)的数据库研究宋内志贺菌的鉴定。方法用提取法进行宋内志贺菌质谱图的建库,建库后分别使用直接涂抹法和提取法对50株宋内志贺菌野生株进行鉴定。结果提取法的鉴定符合率为100%,而直接涂抹法的鉴定符合率为60%。结论 MALDI-TOF-MS通过数据库的扩充和流程的优化可以鉴定宋内志贺菌到血清学水平,它将会成为临床微生物实验室的诊断和鉴别工具。
