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Stepped-up development of accelerator mass spectrometry method for the detection of ^(60)Fe with the HI-13 tandem accelerator 被引量:1
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作者 Yang Zhang Sheng-Quan Yan +36 位作者 Ming He Qing-Zhang Zhao Wen-Hui Zhang Chao-Xin Kan Jian-Ming Zhou Kang-Ning Li Xiao-Fei Wang Jian-Cheng Liu Zhao-Hua Peng Zhuo Liang Ai-Ling Li Jian Zheng Qi-Wen Fan Yun-Ju Li You-Bao Wang Zhi-Hong Li Yang-Ping Shen Ding Nan Wei Nan Yu-Qiang Zhang Jia-Ying-Hao Li Jun-Wen Tian Jiang-Lin Hou Chang-Xin Guo Zhi-Cheng Zhang Ming-Hao Zhu Yu-Wen Chen Yu-Chen Jiang Tao Tian Jin-Long Ma Yi-Hui Liu Jing-Yu Dong Run-Long Liu Mei-Yue-Nan Ma Yong-Shou Chen Wei-Ping Liu Bing Guo 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第4期136-143,共8页
The Moon provides a unique environment for investigating nearby astrophysical events such as supernovae.Lunar samples retain valuable information from these events,via detectable long-lived“fingerprint”radionuclides... The Moon provides a unique environment for investigating nearby astrophysical events such as supernovae.Lunar samples retain valuable information from these events,via detectable long-lived“fingerprint”radionuclides such as^(60)Fe.In this work,we stepped up the development of an accelerator mass spectrometry(AMS)method for detecting^(60)Fe using the HI-13tandem accelerator at the China Institute of Atomic Energy(CIAE).Since interferences could not be sufficiently removed solely with the existing magnetic systems of the tandem accelerator and the following Q3D magnetic spectrograph,a Wien filter with a maximum voltage of±60 kV and a maximum magnetic field of 0.3 T was installed after the accelerator magnetic systems to lower the detection background for the low abundance nuclide^(60)Fe.A 1μm thick Si_(3)N_(4) foil was installed in front of the Q3D as an energy degrader.For particle detection,a multi-anode gas ionization chamber was mounted at the center of the focal plane of the spectrograph.Finally,an^(60)Fe sample with an abundance of 1.125×10^(-10)was used to test the new AMS system.These results indicate that^(60)Fe can be clearly distinguished from the isobar^(60)Ni.The sensitivity was assessed to be better than 4.3×10^(-14)based on blank sample measurements lasting 5.8 h,and the sensitivity could,in principle,be expected to be approximately 2.5×10^(-15)when the data were accumulated for 100 h,which is feasible for future lunar sample measurements because the main contaminants were sufficiently separated. 展开更多
关键词 Accelerator mass spectrometry Wien filter Isobar separation SUPERNOVAE Chang'e-5 lunar samples
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Ultra-soft Desorption Assisted Mass Spectrometry using Picosecond Infrared Laser for the Detection of lons in the Liquid Surface
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作者 Ziyuan Li Yue Wang +2 位作者 Tiantian Tong Ziwei Chen Shan Xi Tian 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2024年第4期461-464,I0093,共5页
To identify the species in liquid surface using mass spectrometry,we must eliminate or reduce interferences during the vaporization or desorption of the species from the liquid surface.It is much more challenging to i... To identify the species in liquid surface using mass spectrometry,we must eliminate or reduce interferences during the vaporization or desorption of the species from the liquid surface.It is much more challenging to isolate the ionic,larger species from the liquid surface,because of the frangible structures and the higher solvation energies of those species.Here we demonstrate a new mass spectrometry in which the ionic species at the liquid surface can be desorbed with ultrasoft infrared picosecond laser pulses while the liquid surface is not breached.This laser desorption assisted mass spectrometry is not only a powerful tool to detect the fragile species but also promising to investigate vibrational energy transfer dynamics in the liquid surface. 展开更多
关键词 Ultrasoft desorption Infrared laser Picosecond pulse Mass spectrometry Liquid surface
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Determination of 14 Organophosphorus Pesticide Residues in Mutton by Gel Permeation Chromatography-Gas Chromatography-Mass Spectrometry(GPC-GC-MS)
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作者 Junpeng ZHAO Richard Avoi +2 位作者 Azman Bin Atil@Azmi Jiao CHEN Ling YUN 《Agricultural Biotechnology》 2024年第3期28-30,33,共4页
[Objectives]This study was conducted to purify mutton samples by gel permeation chromatography(GPC).[Methods]Fourteen organophosphorus pesticide residues in samples were qualitatively and quantitatively analyzed by ga... [Objectives]This study was conducted to purify mutton samples by gel permeation chromatography(GPC).[Methods]Fourteen organophosphorus pesticide residues in samples were qualitatively and quantitatively analyzed by gas chromatography-mass spectrometry(GC-MS)in selective ion scanning mode(SIM).[Results]The organophosphorus pesticide standard solutions showed good linearity in the mass concentration range of 0.1-10.0μg/ml with correlation coefficients(r)not lower than 0.999,and the detection limits(S=3 N)ranged from 0.01 to 0.05 mg/kg.The average recovery values were in the range of 80.2%-99.7%,with relative standard deviations(RSDs,n=3)in the range of 1.8%-6.3%,at the addition levels of 0.5,1.0 and 2.0 mg/kg.[Conclusions]The method is simple,sensitive and accurate,and can be used for the determination of organophosphorus pesticide residues in mutton. 展开更多
关键词 MUTTON Gas chromatography-mass spectrometry Gel permeation chromatography ORGANOPHOSPHORUS Pesticide residue
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Research on the Upper Limit of Accuracy for Predicting Theoretical Tandem Mass Spectrometry
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作者 Changjiu He Xiaoyu Wang +1 位作者 Mingming Lyu Xinye Bian 《Journal of Computer and Communications》 2024年第3期184-195,共12页
In recent years, numerous theoretical tandem mass spectrometry prediction methods have been proposed, yet a systematic study and evaluation of their theoretical accuracy limits have not been conducted. If the accuracy... In recent years, numerous theoretical tandem mass spectrometry prediction methods have been proposed, yet a systematic study and evaluation of their theoretical accuracy limits have not been conducted. If the accuracy of current methods approaches this limit, further exploration of new prediction techniques may become redundant. Conversely, a need for more precise prediction methods or models may be indicated. In this study, we have experimentally analyzed the limits of accuracy at different numbers of ions and parameters using repeated spectral pairs and integrating various similarity metrics. Results show significant achievements in accuracy for backbone ion methods with room for improvement. In contrast, full-spectrum prediction methods exhibit greater potential relative to the theoretical accuracy limit. Additionally, findings highlight the significant impact of normalized collision energy and instrument type on prediction accuracy, underscoring the importance of considering these factors in future theoretical tandem mass spectrometry predictions. 展开更多
关键词 Tandem Mass spectrometry Spectral Prediction Theoretical Limit
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Chemical profiling of bioactive compounds in the methanolic extract of wild leaf and callus of Vitex negundo using gas chromatographymass spectrometry
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作者 Gunjan Garg Alok Bharadwaj +1 位作者 Shweta Chaudhary Veena Gupta 《World Journal of Experimental Medicine》 2024年第1期78-87,共10页
BACKGROUND The investigation of plant-based therapeutic agents in medicinal plants has revealed their presence in the extracts and provides the vision to formulate novel techniques for drug therapy.Vitex negundo(V.neg... BACKGROUND The investigation of plant-based therapeutic agents in medicinal plants has revealed their presence in the extracts and provides the vision to formulate novel techniques for drug therapy.Vitex negundo(V.negundo),a perennial herb belonging to the Varbanaceae family,is extensively used in conventional medication.AIM To determine the existence of therapeutic components in leaf and callus extracts from wild V.negundo plants using gas chromatography-mass spectrometry(GCMS).METHODS In this study,we conducted GC-MS on wild plant leaf extracts and correlated the presence of constituents with those in callus extracts.Various growth regulators such as 6-benzylaminopurine(BAP),2,4-dichlorophenoxyacetic acid(2,4-D),α-naphthylacetic acid(NAA),and di-phenylurea(DPU)were added to plant leaves and in-vitro callus and grown on MS medium.RESULTS The results clearly indicated that the addition of BAP(2.0 mg/L),2,4-D(0.2 mg/mL),DPU(2.0 mg/L)and 2,4-D(0.2 mg/mL)in MS medium resulted in rapid callus development.The plant profile of Vitex extracts by GC-MS analysis showed that 24,10,and 14 bioactive constituents were detected in the methanolic extract of leaf,green callus and the methanolic extract of white loose callus,respectively.CONCLUSION Octadecadienoic acid,hexadecanoic acid and methyl ester were the major constituents in the leaf and callus methanolic extract.Octadecadienoic acid was the most common constituent in all samples.The maximum concentration of octadecadienoic acid in leaves,green callus and white loose callus was 21.93%,47.79%and 40.38%,respectively.These findings demonstrate that the concentration of octadecadienoic acid doubles in-vitro compared to in-vivo.In addition to octadecadienoic acid;butyric acid,benzene,1-methoxy-4-(1-propenyl),dospan,tridecanedialdehyde,methylcyclohexenylbutanol,chlorpyrifos,n-secondary terpene diester,anflunine and other important active compounds were also detected.All these components were only available in callus formed in-vitro.This study showed that the callus contained additional botanical characteristics compared with wild plants.Due to the presence of numerous bioactive compounds,the medical use of Vitex for various diseases has been accepted and the plant is considered an important source of therapeutics for research and development. 展开更多
关键词 Leaf extracts Callus extracts Methanolic extract Octadecadienoic acid Hexadecanoic acid Methyl ester Gas chromatography-mass spectrometry analysis
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Determination of Ten Kinds of Alpha-2 Agonists Residues in Animal Derived Food by UHPLC-Triple Quadrupole/Composite Linear Ion Trap Mass Spectrometry
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作者 Fang LI Xuemei LI +3 位作者 Xiangang LI Sining LIU Sha LIU Ying WANG 《Plant Diseases and Pests》 2024年第1期28-32,共5页
[Objectives]The paper was to establish an ultra high performance liquid chromatography-quadrupole/linear ion trap complex mass spectrometry for the determination of 10 kinds ofα2-receptor agonists in animal derived f... [Objectives]The paper was to establish an ultra high performance liquid chromatography-quadrupole/linear ion trap complex mass spectrometry for the determination of 10 kinds ofα2-receptor agonists in animal derived food.[Methods]The samples were extracted with sodium carbonate buffer solution and ethyl acetate,and analyzed by mass spectrometry after solid phase extraction and high performance liquid chromatography separation.[Results]Ten kinds ofα2-receptor agonists showed a good linear relationship in the range of 1-100μg/mL,with the average recovery of over 69%and the relative standard deviation less than 8.32%.The detection limit of 10 kinds of α_(2)-receptor agonists was up to 1μg/kg.[Conclusions]The method has good selectivity and strong anti-interference ability,and can meet the requirements of 10 kinds ofα2-receptor agonists residues in animal derived food. 展开更多
关键词 Animal derived food α_(2)-receptor agonist Solid-phase extraction Ultra-high performance liquid phase-triple quadrupole/linear ion trap composite mass spectrometry
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Neurotoxicity mechanism of aconitine in HT22 cells studied by microfluidic chip-mass spectrometry 被引量:6
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作者 Yingrui Zhang Shiyu Chen +4 位作者 Fangfang Fan Ning Xu Xian-Li Meng Yi Zhang Jin-Ming Lin 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第1期88-98,共11页
Aconitine,a common and main toxic component of Aconitum,is toxic to the central nervous system.However,the mechanism of aconitine neurotoxicity is not yet clear.In this work,we had the hypothesis that excitatory amino... Aconitine,a common and main toxic component of Aconitum,is toxic to the central nervous system.However,the mechanism of aconitine neurotoxicity is not yet clear.In this work,we had the hypothesis that excitatory amino acids can trigger excitotoxicity as a pointcut to explore the mechanism of neurotoxicity induced by aconitine.HT22 cells were simulated by aconitine and the changes of target cell metabolites were real-time online investigated based on a microfluidic chip-mass spectrometry system.Meanwhile,to confirm the metabolic mechanism of aconitine toxicity on HT22 cells,the levels of lactate dehydrogenase,intracellular Ca^(2+),reactive oxygen species,glutathione and superoxide dismutase,and ratio of Bax/Bcl-2 protein were detected by molecular biotechnology.Integration of the detected results revealed that neurotoxicity induced by aconitine was associated with the process of excitotoxicity caused by glutamic acid and aspartic acid,which was followed by the accumulation of lactic acid and reduction of glucose.The surge of extracellular glutamic acid could further lead to a series of cascade reactions including intracellular Ca^(2+)overload and oxidative stress,and eventually result in cell apoptosis.In general,we illustrated a new mechanism of aconitine neurotoxicity and presented a novel analysis strategy that real-time online monitoring of cell metabolites can provide a new approach to mechanism analysis. 展开更多
关键词 ACONITINE Neurotoxicity mechanism HT22 cells Excitatory amino acids Microfluidic chip-mass spectrometry
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Spatiotemporal pharmacometabolomics based on ambient mass spectrometry imaging to evaluate the metabolism and hepatotoxicity of amiodarone in HepG2 spheroids 被引量:3
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作者 Limei Li Qingce Zang +5 位作者 Xinzhu Li Ying Zhu Shanjing Wen Jiuming He Ruiping Zhang Zeper Abliz 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第5期483-493,共11页
Three-dimensional(3D)cell spheroid models combined with mass spectrometry imaging(MSI)enables innovative investigation of in vivo-like biological processes under different physiological and pathological conditions.Her... Three-dimensional(3D)cell spheroid models combined with mass spectrometry imaging(MSI)enables innovative investigation of in vivo-like biological processes under different physiological and pathological conditions.Herein,airflow-assisted desorption electrospray ionization-MSI(AFADESI-MSI)was coupled with 3D HepG2 spheroids to assess the metabolism and hepatotoxicity of amiodarone(AMI).High-coverage imaging of>1100 endogenous metabolites in hepatocyte spheroids was achieved using AFADESI-MSI.Following AMI treatment at different times,15 metabolites of AMI involved in Ndesethylation,hydroxylation,deiodination,and desaturation metabolic reactions were identified,and according to their spatiotemporal dynamics features,the metabolic pathways of AMI were proposed.Subsequently,the temporal and spatial changes in metabolic disturbance within spheroids caused by drug exposure were obtained via metabolomic analysis.The main dysregulated metabolic pathways included arachidonic acid and glycerophospholipid metabolism,providing considerable evidence for the mechanism of AMI hepatotoxicity.In addition,a biomarker group of eight fatty acids was selected that provided improved indication of cell viability and could characterize the hepatotoxicity of AMI.The combination of AFADESI-MSI and HepG2 spheroids can simultaneously obtain spatiotemporal information for drugs,drug metabolites,and endogenous metabolites after AMI treatment,providing an effective tool for in vitro drug hepatotoxicity evaluation. 展开更多
关键词 Mass spectrometry imaging HepG2 spheroids HEPATOTOXICITY Drug metabolism AMIODARONE
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Untargeted and targeted mass spectrometry reveal the effects of theanine on the central and peripheral metabolomics of chronic unpredictable mild stress-induced depression in juvenile rats 被引量:2
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作者 Yanru Zhu Feng Wang +4 位作者 Jiatong Han Yunli Zhao Miao Yu Mingyan Ma Zhiguo Yu 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第1期73-87,共15页
L-theanine has been shown to have a therapeutic effect on depression.However,whether L-theanine has an excellent preventive effect on depression in children and adolescents and what its mechanism is have not been well... L-theanine has been shown to have a therapeutic effect on depression.However,whether L-theanine has an excellent preventive effect on depression in children and adolescents and what its mechanism is have not been well explained.Given the complexity of the pathogenesis of depression,this study investigated the preventive effect and mechanism of L-theanine on depression in juvenile rats by combining serum and hippocampal metabolomic strategies.Behavioral tests,hippocampal tissue sections,and serum and hippocampal biochemical indexes were studied,and the results confirmed the preventive effect of Ltheanine.Untargeted reversed-phase liquid chromatography-quadrupole-time-of-flight mass spectrometry and targeted hydrophilic interaction liquid chromatography-triple quadrupole mass spectrometry were developed to analyze the metabolism changes in the serum and hippocampus to screen for potential biomarkers related to L-theanine treatment.The results suggested that 28 abnormal metabolites in the serum and hippocampus that were considered as potential biomarkers returned to nearnormal levels after L-theanine administration.These biomarkers were involved in various metabolic pathways,mainly including amino acid metabolism and lipid metabolism.The levels of amino acids and neurotransmitters in the phenylalanine,tryptophan,and glutamic acid pathways were significantly reduced after L-theanine administration compared with chronic unpredictable mild stress-induced rats.In summary,L-theanine had a significant preventive effect on depression and achieved its preventive results on depression by regulating various aspects of the body,such as amino acids,lipids,and inflammation.This research systematically analyzed the mechanism of L-theanine in preventing depression and laid the foundation for applying L-theanine to prevent depression in children and adolescents. 展开更多
关键词 L-THEANINE DEPRESSION Metabolomics Liquid chromatography-mass spectrometry
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Application of Mass Spectrometry (MS)-coupled Techniques in Pesticide Residue Detection 被引量:1
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作者 Lei WANG Rundong Qiang +5 位作者 Aili XIANG Liang ZHANG Mingyuan YUN Huihui LIU Shuo YANG Jinlu LI 《Agricultural Biotechnology》 CAS 2023年第5期59-61,共3页
Pesticide residue detection is an important work to ensure the quality safety of agricultural products.In the process of agricultural production,in order to prevent and control agricultural diseases and pests,a certai... Pesticide residue detection is an important work to ensure the quality safety of agricultural products.In the process of agricultural production,in order to prevent and control agricultural diseases and pests,a certain amount of pesticides need to be used.However,if pesticides are used excessively,there will be certain pesticide residues in crops and related products.Therefore,it is necessary to do a good job in pesticide residue detection.The gas chromatography-mass spectrometry(GC-MS)and liquid chromatography-mass spectrometry(LC-MS)detection methods have good results and can effectively detect pesticide residues in related products.This paper reviewed and analyzed the application of GC-MS and LC-MS in pesticide residue detection,and proposed optimization measures based on practical experience,hoping to provide reference for relevant scholars. 展开更多
关键词 Gas chromatography-mass spectrometry Liquid chromatography-mass spectrometry Pesticide residues Detection analysis APPLICATION
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Determination of Veterinary Drug Residues in Animal-derived Foods by Liquid Chromatography-Mass Spectrometry 被引量:2
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作者 Haowei CUI Kun XIN Guixia YANG 《Agricultural Biotechnology》 CAS 2023年第1期84-86,93,共4页
[Objectives]This study was conducted to establish a rapid and effective method for simultaneous extraction of 54 kinds of veterinary drug residues in animal-derived food, including sulfonamides, quinolones, tetracycli... [Objectives]This study was conducted to establish a rapid and effective method for simultaneous extraction of 54 kinds of veterinary drug residues in animal-derived food, including sulfonamides, quinolones, tetracyclines, malachite greens, penicillins, nitroimidazoles, tranquilizers and macrolides, by HPLC-MS. [Methods] The samples were extracted with 80% acetonitrile water(containing 0.1% formic acid), combined with QuEChERS extraction technology and C18 and PSA purification, analyzed by high performance liquid chromatography-mass spectrometry, and quantified by external standard method. The target substances were analyzed on ZORBAX Eclipse C18 chromatographic column using 0.2% formic acid water and 0.2% methanol as mobile phases. The gradient elution mode was used for chromatographic separation and multiple reaction detection. [Results] In the linear range of 0.5-50.0 ng/ml, the linear relationship of the 54 kinds of veterinary drug residues was good, with correlation coefficients(r~2) greater than 0.995, and the detection limits ranged from 0.30 to 1.00 μg/kg. The results showed that the recovery ranged from 75.4% to 118.2% when different matrixes were added for recovery. [Conclusions] This method is simple, efficient, accurate, stable, and highly operable. It is applicable to simultaneous batch screening of veterinary drug residues in animal-derived food, and has high practical application value. 展开更多
关键词 Animal-derived food Multiple veterinary drug residues OPTIMIZATION Liquid chromatography-mass spectrometry
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Evaluation of allergenic protein profiles in three Chinese high-oleic acid peanut cultivars using NanoLC-Orbitrap mass spectrometry 被引量:1
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作者 Xinke Yang Haochen Bai +3 位作者 Lijun Yin Jin Wang Wentong Xue Xin Jia 《Food Science and Human Wellness》 SCIE CSCD 2023年第3期851-860,共10页
High oleic-acid peanuts are known for their pre-longed shelf-life and health benefit due to high content of oleic fatty acid.However,the allergenicity and allergenic protein profiles in Chinese high-oleic peanuts have... High oleic-acid peanuts are known for their pre-longed shelf-life and health benefit due to high content of oleic fatty acid.However,the allergenicity and allergenic protein profiles in Chinese high-oleic peanuts have yet to be studied.For this purpose,an Orbitrap Fusion mass spectrometry(MS)-based method that is feasible for identification of putative allergenic protein as well as semi-quantitation of five major allergen protein in three different Chinese high-oleic peanut cultivars(JH 13,JH 16 and JH 18)have been reported.Results show that three Chinese high-oleic acid peanut cultivars selected all contained highly allergenic proteins Ara h1,Ara h 2,Ara h 3 and Ara h 6.The allergenic protein profiles of Chinese high-oleic acid peanut cultivars were very similar to that of conventional peanuts,but the allergenic protein subunits varied greatly among higholeic peanuts.Additionally,a comprehensive peptide-filtering pipeline had been developed for identification of potential peptide markers in peanut allergen proteins.Through the peptide-filtering pipeline,three novel peptide markers,IVQIEAKPNTLVLPK,SSNPDIYNPQAGSLR and AQSENYEYLAFK surrogate to Ara h 1,Ara h 3 with high abundance,good MS response and highly reliability were identified,which can be used as candidate peptide markers for the detection of peanut allergens in different food matrices. 展开更多
关键词 ALLERGY High-oleic acid peanut Peptide-filtering pipeline NanoLC-Orbitrap mass spectrometry
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Nylon 6-cellulose composite hosted in a hypodermic needle: Biofluid extraction and analysis by ambient mass spectrometry in a single device
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作者 Jaime Millan-Santiago Rafael Lucena Soledad Cardenas 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第11期1346-1352,共7页
This study proposes a hypodermic needle(HN)as a sorbent holder and an electrospray(ESI)emitter,thus combining extraction and analysis in a single device.A novel nylon 6-cellulose(N6-Cel)composite sorbent is proposed t... This study proposes a hypodermic needle(HN)as a sorbent holder and an electrospray(ESI)emitter,thus combining extraction and analysis in a single device.A novel nylon 6-cellulose(N6-Cel)composite sorbent is proposed to extract methadone from oral fluid samples.The cellulosic substrate provides the composite with high porosity,permitting the flow-through of the sample,while the polyamide contributes to the extraction of the analyte.The low price of the devices(considering the holder and the sorbent)contributes to the affordability of the method,and their small size allows easy transportation,opening the door to on-site extractions.Under the optimum conditions,the analyte can be determined by high-resolution ambient ionization mass spectrometry at a limit of detection(LOD)as low as 0.3 mg/L and precision(expressed as relative standard deviation,RSD)better than 9.3%.The trueness,expressed as relative recovery(RR),ranged from 90%to 109%.As high-resolution mass spectrometers are not available in many laboratories,the method was also adapted to low-resolution spectrometers.In this sense,the direct infusion of the eluates in a triple quadrupole-mass spectrometry provided an LOD of 2.2 mg/L.The RSD was better than 5.3%,and the RR ranged from 96%to 121%. 展开更多
关键词 ESI emitter Mass spectrometry Hypodermic needle COMPOSITE METHADONE
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Determination of Voriconazole in Human Plasma by Liquid Chromatography Tandem Mass Spectrometry: Application in Therapeutic Drug Monitoring
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作者 Waleed Alhussaini Ezzeldeen Ghanem +4 位作者 Magd Alsahly Amani Kurdi Eman Alharbi Imadul Islam Majed Aljeraisy 《American Journal of Analytical Chemistry》 2023年第9期378-389,共12页
A sensitive, accurate and robust Liquid Chromatography Tandem Mass Spectrometry method has been developed and validated to measure voriconazole trough levels in human plasma. The plasma samples were mixed with flucona... A sensitive, accurate and robust Liquid Chromatography Tandem Mass Spectrometry method has been developed and validated to measure voriconazole trough levels in human plasma. The plasma samples were mixed with fluconazole as an Internal Standard and directed to protein precipitation and drug extraction. An aliquot of 1 μl was injected into the chromatographic system and separated by the Acquity BEH C18 column at a flow rate of 0.30 ml/min in a gradient mobile phase consisting of acetonitrile, Ultrapure water (UPW), methanol and formic acid. Voriconazole was detected by a Triple Quadrupole Detector (TQD) operating on Multiple Reaction Monitoring (MRM) and a positive ion mode Electrospray ionization (ESI) Q1 mass: 350.1 m/z, Q3 mass: 281.1 m/z. Method linearity of the calibration curve (0.10 - 8.00 μg/ml) indicated a correlation coefficient r ≥ 0.99. The intra and inter-assay accuracy was within 85% - 115% and the intra and inter-assay precision was ≤5.76%. Voriconazole recovery percentage was between 97.69 - 119.62%. The method was successively applied in routine voriconazole TDM. 展开更多
关键词 VORICONAZOLE Human Plasma Liquid Chromatography Tandem Mass spectrometry Therapeutic Drug Monitoring
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Integrated mass spectrometry imaging reveals spatial-metabolic alteration in diabetic cardiomyopathy and the intervention effects of ferulic acid
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作者 Yanhua Liu Xin Zhang +6 位作者 Shu Yang Zhi Zhou Lu Tian Wanfang Li Jinfeng Wei Zeper Abliz Zhonghua Wang 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第12期1496-1509,共14页
Diabetic cardiomyopathy(DCM)is a metabolic disease and a leading cause of heart failure among people with diabetes.Mass spectrometry imaging(MSI)is a versatile technique capable of combining the molecular specificity ... Diabetic cardiomyopathy(DCM)is a metabolic disease and a leading cause of heart failure among people with diabetes.Mass spectrometry imaging(MSI)is a versatile technique capable of combining the molecular specificity of mass spectrometry(MS)with the spatial information of imaging.In this study,we used MSI to visualize metabolites in the rat heart with high spatial resolution and sensitivity.We optimized the air flow-assisted desorption electrospray ionization(AFADESI)-MSI platform to detect a wide range of metabolites,and then used matrix-assisted laser desorption ionization(MALDI)-MSI for increasing metabolic coverage and improving localization resolution.AFADESI-MSI detected 214 and 149 metabolites in positive and negative analyses of rat heart sections,respectively,while MALDI-MSI detected 61 metabolites in negative analysis.Our study revealed the heterogenous metabolic profile of the heart in a DCM model,with over 105 region-specific changes in the levels of a wide range of metabolite classes,including carbohydrates,amino acids,nucleotides,and their derivatives,fatty acids,glycerol phospholipids,carnitines,and metal ions.The repeated oral administration of ferulic acid during 20 weeks significantly improved most of the metabolic disorders in the DCM model.Our findings provide novel insights into the molecular mechanisms underlying DCM and the potential of ferulic acid as a therapeutic agent for treating this condition. 展开更多
关键词 Mass spectrometry imaging Diabetic cardiomyopathy Metabolic reprogramming Ferulic acid
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Breath-by-breath measurement of exhaled ammonia by acetonemodifier positive photoionization ion mobility spectrometry via online dilution and purging sampling
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作者 Lu Wang Dandan Jiang +7 位作者 Lei Hua Chuang Chen Dongming Li Weiguo Wang Yiqian Xu Qimu Yang Haiyang Li Song Leng 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第4期412-420,共9页
Exhaled ammonia(NH_(3))is an essential noninvasive biomarker for disease diagnosis.In this study,an acetone-modifier positive photoionization ion mobility spectrometry(AM-PIMS)method was developed for accurate qualita... Exhaled ammonia(NH_(3))is an essential noninvasive biomarker for disease diagnosis.In this study,an acetone-modifier positive photoionization ion mobility spectrometry(AM-PIMS)method was developed for accurate qualitative and quantitative analysis of exhaled NH_(3)with high selectivity and sensitivity.Acetone was introduced into the drift tube along with the drift gas as a modifier,and the characteristic NH_(3)product ion peak of(C_(3)H_(6)O)_(4)NH_(4)^(+)(K_(0)=1.45 cm^(2)/V·s)was obtained through the ion-molecule reaction with acetone reactant ions(C_(3)H_(6)O)_(2)H^(+)(K_(0)=1.87 cm^(2)/V·s),which significantly increased the peak-to-peak resolution and improved the accuracy of exhaled NH_(3)qualitative identification.Moreover,the interference of high humidity and the memory effect of NH_(3)molecules were significantly reduced via online dilution and purging sampling,thus realizing breath-by-breath measurement.As a result,a wide quantitative range of 5.87-140.92μmol/L with a response time of 40 ms was achieved,and the exhaled NH_(3)profile could be synchronized with the concentration curve of exhaled CO_(2).Finally,the analytical capacity of AM-PIMS was demonstrated by measuring the exhaled NH_(3)of healthy subjects,demonstrating its great potential for clinical disease diagnosis. 展开更多
关键词 Photoionization ion mobility spectrometry Acetone modifier Exhaled ammonia Breath analysis
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Tracking gassing behavior in pouch cell by operando on-line electrochemical mass spectrometry
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作者 Haitang Zhang Jianken Chen +10 位作者 Baodan Zhang Xiaohong Wu Zhengang Li Leiyu Chen Junhao Wang Xiaoyu Yu Haiyan Luo Jiyuan Xue Yu-Hao Hong Yu Qiao Shi-Gang Sun 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第9期286-291,共6页
As the rapid development of more powerful and safer lithiumion batteries, the mechanism study of gases evolution is attacking more and more attention in recent years. Especially under overcharge/discharge and/or high-... As the rapid development of more powerful and safer lithiumion batteries, the mechanism study of gases evolution is attacking more and more attention in recent years. Especially under overcharge/discharge and/or high-temperature working condition. 展开更多
关键词 Pouch cell Operando characterization Mass spectrometry Lithium-ion batteries Gassing behavior
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Discrimination of individual seed viability by using the oxygen consumption technique and headspace-gas chromatography-ion mobility spectrometry
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作者 TU Ke-ling YIN Yu-lin +2 位作者 YANG Li-ming WANG Jian-hua SUN Qun 《Journal of Integrative Agriculture》 SCIE CAS CSCD 2023年第3期727-737,共11页
Identifying and selecting high-quality seeds is crucial for improving crop yield.The purpose of this study was to improve the selection of crop seeds based on separating vital seeds from dead seeds,by predicting the p... Identifying and selecting high-quality seeds is crucial for improving crop yield.The purpose of this study was to improve the selection of crop seeds based on separating vital seeds from dead seeds,by predicting the potential germination ability of each seed,and thus improving seed quality.The methods of oxygen consumption (Q) of seeds and the headspace-gas chromatography-ion mobility spectrometry(HS-GC-IMS) were evaluated for identifying the viability of individual seeds.Firstly,the oxygen consumption technique showed clear differences among the values related to respiratory characteristics for seeds that were either vital or not,and the discrimination ability of final oxygen consumption(Q_(120)) was achieved not only in sweet corn seeds but also in pepper and wheat seeds.Besides,Qtwas established as a new variable to shorten the measuring process in the Q2 (oxygen sensor) procedure,which was significantly related to the viability of individual seeds.To minimize seed damage during measurement,the timing for viability evaluation was pinpointed at the 12,6 and 9 h for pepper,sweet corn,and wheat seeds based on the new variables concerning oxygen consumption (i.e.,Q_(12),Q_(6)and Q_(9),respectively).The accuracies of viability prediction were 91.9,97.7 and 96.2%,respectively.Dead seeds were identified and hence discarded,leading to an enhancement in the quality of the seed lot as indicated by an increase in germination percentage,from 86.6,90.9,and 53.8%to all at 100%.We then used the HS-GC-IMS to determine the viability of individual sweet corn seeds,noting that corn seed has a heavier weight so the volatile gas components are more likely to be detected.A total of 48 chromatographic peaks were identified,among which 38 target compounds were characterized,including alcohols,aldehydes,acids and esters.However,there were no significant differences between the vital and dead seeds,due to the trace amount volatile composition differences among the individual seeds.Furthermore,a PCA based on the signal intensities of the target volatile compounds obtained was found to lose its effectiveness,as it was unable to distinguish those two types of sweet corn seeds.These strategies can provide a reference for the rapid detection of single seed viability. 展开更多
关键词 headspace-gas chromatography-ion mobility spectrometry oxygen consumption seed respiration sweet corn TOMATO wheat
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Identification,structure elucidation and origin of a common pyridinium-thiocyanate intermediate in electrospray mass spectrometry among the benziamidazole-class proton pump inhibitors
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作者 Dong Sun Chunyu Wang +1 位作者 Yanxia Fan Jingkai Gu 《Journal of Pharmaceutical Analysis》 SCIE CAS CSCD 2023年第6期683-688,共6页
During the analysis of benziamidazole-class irreversible proton pump inhibitors,an unusual mass spectral response with the mass-to-charge ratio at[Mt10]t intrigued us,as it couldn't be assigned to any literature k... During the analysis of benziamidazole-class irreversible proton pump inhibitors,an unusual mass spectral response with the mass-to-charge ratio at[Mt10]t intrigued us,as it couldn't be assigned to any literature known relevant structure,intermediate or adduct ion.Moreover,this mysterious mass pattern of[Mt10]t has been gradually observed by series of marketed proton pump inhibitors,viz.omeprazole,pantoprazole,lansoprazole and rabeprazole.All the previous attempts to isolate the corresponding component were unsuccessful.The investigation of present work addresses this kind of signal to a pyridinium thiocyanate mass spectral intermediate(10),which is the common fragment ion of series of labile aggregates.The origin of such aggregates can be traced to the reactive intermediates formed by acid-promoted degradation.These reactive intermediates tend to react with each other and give raise series of complicated aggregates systematically in a water/acetonitrile solution by electrospray ionization.The structure of the corresponding pyridinium thiocyanate species of omeprazole(10a)has been eventually characterized with the help of synthetic specimen(10a′).Our structural proposal as well as its origin was supported by in situ nuclear magnetic resonance,chemical derivatization and colorimetric experiments. 展开更多
关键词 Proton pump inhibitor Mass spectrometry Electrospray ionization Pseudo-molecular ion Pyridinium thiocyanate
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Volatile Compounds Fingerprints for White Duck down and White Goose down Determined by Gas Chromatography-Ion Mobility Spectrometry
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作者 Fei Wang Qihui Zhang +6 位作者 Yiwen Lin Wenjian Chen Hui Wang Kuntai Li Jihua Li Yuliang Chen Leiyu Wang 《Agricultural Sciences》 CAS 2023年第3期432-445,共14页
This work first describes a simple approach for the untargeted profiling of volatile compounds for distinguishing between white duck down (WDD) and white goose down (WGD) based on resolution-optimized GC-IMS combined ... This work first describes a simple approach for the untargeted profiling of volatile compounds for distinguishing between white duck down (WDD) and white goose down (WGD) based on resolution-optimized GC-IMS combined with optimized chemometric techniques, namely PCA. The detection method for down samples was established by using GC-IMS. Meanwhile, the reason of unpleasant odors caused by WDD was explained on the basis of the characteristic volatile compounds identification. GC-IMS fingerprinting can be considered a revolutionary approach for a truly fully automatable, cost-efficient, and in particular highly sensitive method. A total of 22 compounds were successfully separated and identified through GC-IMS method, and the significant differences in volatile compounds were observed in three parts of WDD and WGD samples. The most characteristic volatile compounds of WGD belong to aldehydes, whereas carboxylic acids from WDD were detected generated by autoxidation reaction. Meanwhile, the main reason of unpleasant odor generation was possibly attributed to the high concentration of volatile carboxylic acids of WDD. Therefore, the constructed model presents a simple and efficient method of analysis and serves as a basis for down processing and quality control. 展开更多
关键词 Gas Chromatography-Ion Mobility spectrometry (GC-IMS) Principal Components Analysis (PCA) DOWN Characteristic Volatiles Fingerprints Carboxylic Acids
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