ANALYTICAL CHEMISTRY
·
2013
·
IF 5.695
Dan Jiang,Gong-Yu Jiang,Xiao-Xu Li,Fu-xing Xu,Liang Wang,Li Ding,Chuan-Fan Ding
An ion trap (IT) mass analyzer can be simply built with low cost material—the printed circuit board (PCB). A printed circuit board ion trap (PCBIT) can perform ion trapping, mass analysis, and tandem mass spectrometry as a conventional ion trap mass analyzer. In a PCBIT, each PCB electrode was fabricated to specially designed patterns with several separate electric strips. The strips’ electrodes were insulated from each other and applied with different voltages during the experiment. Therefore, the electric field distribution inside the ion trap region may be adjusted and optimized by simply adjusting the voltage on each strip. The performance of the PCBIT can also be optimized since the property of an ion trap is strongly dependent on the field distribution. The fabrication, operation, and performance of the PCBIT are described and characterized in this paper. A prototype PCBIT was built with two pairs of 64 mm × 12 mm PCB rectangular plates and one pair of 10 mm × 10 mm stainless steel square plates. A mass analysis with a resolving power of over 1500 and a mass range of around 3000 Th was observed. The mass-selected isolation and collision-induced dissociation (CID) of ions were also tested using the homemade PCBIT system. The adjustable electric field distribution, simple structure, and low cost of PCBIT make it certainly suitable for the further miniaturization of the portable mass spectrometer.
研究领域:
分析化学
·
仪器科学与技术
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产品关联
DOI
PubMed
高影响因子
ANALYST
·
2025
·
IF 3.3
Yujia Ying,Jiangang Chen,Shaoping Li,Jing Zhao
Polysaccharides are essential resources for all organisms. Despite the increasing popularity and sophistication of biological macromolecule research, analytical approaches for polysaccharides are still urgently required due to their complex heterogeneity and diverse structures. One of the primary characteristics of polysaccharides is molecular weight, whereas precise mass results are still hard to obtain by current molecular weight characterization approaches. High resolution mass spectrometry (MS) with soft ionization techniques can provide accurate mass information for macromolecules, except for polysaccharides, due to the problem that most neutral polysaccharides have limited ionization efficiency. Focusing on the improvement of ionization, a practical method was proposed here in which chemical additives can facilitate the electrospray ionization (ESI) of neutral polysaccharides. Taking dextran as an example, effective ESI additives were examined and investigated with two distinct behaviors. Compared with an average molecular weight of 13 600 Da given by HPSEC-MALLS-RID, 16 866 Da was identified as the maximum mass by ESI-MS with formamide assistance. Large polysaccharide ions with a resolvable isotopic distribution were then analyzed by tandem MS directly to investigate the fragmentation features. Formamide was used as an effective ESI additive as well for other types of polysaccharides. The method proposed here provides an easy but reliable ionization way for further MS research on neutral polysaccharides.
研究领域:
分析化学
·
糖生物学
·
质谱学
·
分子生物学
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生物大分子分析
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产品关联
DOI
PubMed
高影响因子
FOOD RESEARCH INTERNATIONAL
·
2024
·
IF 7
Xialin Chen,Dandan Li,Rongrong He,Jiajia Wang,Ru Yang,Mengyu Qian,Liang Cao,Yongwen Zhang,Zhenzhong Wang,Wei Xiao
Polyrhachis dives ( P. dives ) is a traditional edible insect with high nutritional value and is the only ant species that is administered as medicine and food. Therefore, it is of great significance to identify the authenticity of the species. In the current study, peptidomics analysis combining untargeted MS with targeted MS was developed and applied for the identification of specific peptides in P. dives and the establishment of quality control. A total of 16 specific peptides were screened, and 7 specific peptides with satisfactory signal response were obtained by targeted mass spectrometry, which could be used to distinguish P. dives from other ant species and ensure the quality of edible ants. Subsequently, the 7 specific peptides were quantitatively analyzed, followed by clustering analysis and biological activity experiments to categorize them into distinct qualities, providing valuable references for further development of quality control methods for P. dives .
研究领域:
昆虫学
·
食品科学
·
质谱分析
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DOI
PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2025
·
IF 3.8
Sha Dandan,Yuan Minghui,Zhang Lin,Li Hongli
Insulin bound with ligand molecules can improve its bioavailability in oral formulations. In this work, the interactions between insulin and bile acids of taurocholic acid (TCA) and glycocholic acid (GCA) are characterized using different mass spectrometry (MS) methods. Electrospray (ESI)–MS analysis revealed that GCA and TCA could interact with insulin individually or together through non-covalent bonds, and the products included mGCA-insulin, nTCA-insulin, and mGCA-nTCA-insulin complexes. Their binding stoichiometry, relative intensity ratio ( IRa ), and binding affinity were determined. ESI–MS/MS data and the calculated association constants both suggest that TCA has stronger affinity to insulin than GCA. The mixtures of various insulin, GCA, and TCA complexes with different charge states were separated, and distinct trend lines were observed using ion mobility mass spectrometry (IMMS). Moreover, liposomes containing insulin and GCA and/or TCA were prepared, and directly characterized using ESI–MS, and the interaction products of insulin with GCA and TCA were found in the liposome formulation. AutoDock was used to simulate molecular binding and select binding sites between insulin and GCA or TCA to explore the interaction mechanisms. The findings in this work could help understand the mechanism of action of insulin protection with bile acids in the body. Graphical
研究领域:
药学
·
分析化学
·
生物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
·
2020
·
IF 5.977
Tao Wang,Xiaoming Chen,Chunyan Luan,Jianmin Wu
Cell heterogeneity of tumor tissues is one of the causes of cancer recurrence after chemotherapy. Cell subtype identification in tumor tissues of specific cancer is critical for precision medicine and prognosis. As the structural and functional components of cells, lipids are closely related to the apparent morphology of cells. They are potential biomarkers of species of cancers and can be used to classify different cancer cell types, but it remains a challenge to establish a stable cell differentiation model and extend it to tumor tissue cell subtype differentiation. Here we describe a lipid profiling method based on nanostructure assisted laser desorption/ionization mass spectrometry (NALDI-MS), which could classify five hepatocellular carcinoma (HCC) cell lines and discriminate subtype of mixed cells and tumor tissues. The NALDI target was patterned with array of sample spots containing vertical silicon nanowires (Si NWs). Owing to its high ability to absorb laser energy, the vertical Si NWs can help to generate abundant lipid ions of cell extracts without need of organic matrix. Combined with statistical analysis methods, twenty-two ion peaks distributed in four MS peak clusters were selected as potential biomarkers to distinguish the subtype of the five HCC cell lines. Peak normalization was performed within each MS peak cluster to reduce the variation of peak intensity in batch to batch analysis. Compared to full-spectrum normalization method, the inner-cluster normalization method could help to distinguish cell subtype more stably and accurately. The molecular structure of these biomarkers was identified and sorted into two classes including phosphatidylcholine (PE, PI, PG, PA, PS) and glycosphingolipid (LacCer, ST). Furthermore, the established method was successfully applied to identify the major HCC cell subtype in mixed cell samples and xenograft tumor tissues as well as drug response test, showing great potential in precision medicine and prognosis.
研究领域:
肿瘤学
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代谢组学
·
精准医学
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DOI
PubMed
高影响因子
TALANTA
·
2020
·
IF 5.339
Chengyi Xie,Qidi Wu,Shulei Zhang,Chenlu Wang,Wenqing Gao,Jiancheng Yu,Keqi Tang
Glycosylated proteins are an essential class of molecules playing critical roles in complex biological systems. Understanding their biological functions remains extremely difficult due to the extremely broad compositions and structure variations of glycans . Although the combination of ion mobility spectrometry and mass spectrometry (IMS-MS) has become a promising technique in glycan structure characterization and composition identification, the insufficient resolving power of most IMS-MS instruments has limited its utility in performing the comprehensive structure characterization of glycans. To mitigate the low IMS resolving power, metal ion incorporation has been employed to enhance the separation of isomeric glycans. Here, we present a systematic investigation of many different glycan-metal ion complexes in an attempt to optimize the IMS separation of different isomeric glycans. By selecting optimum glycan-metal ion complexes, partial IMS separation was realized for all the 21 isomeric glycan pairs used in the experimental study. Baseline IMS separation was achieved for 76% of these isomeric glycan pairs. The best IMS separation of isomeric glycans was achieved in some cases by incorporating multiple ions with a glycan, such as the complex [glycan + Ca + Cl] + . In addition, the well-known IMS-MS measurement trendlines, often used to identify specific compound classes, were preserved for glycans even for all the 270 glycan-metal ion complexes observed in IMS-MS spectra.
研究领域:
分析化学
·
生物化学
·
质谱
·
蛋白质组学
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产品关联
DOI
PubMed
高影响因子
MOLECULES
·
2024
·Vol. 29
·期 16
·3759
·
IF 4.2
Yachun Zhang,Junyang Chen,Jianhua He,Shuofan Li,Yuanfeng Wang,Yahe Zhang,Quan Shi
Polyglycolic acid (PGA) is a biologically friendly material with a wide range of applications. The production of dimethyl oxalate using coal-based syngas and the hydrogenation of dimethyl oxalate can produce the polymerization raw material of PGA, glycolide, which requires a methyl glycolate polymerization and depolymerization process. The intermediate products of the production process were analyzed using gas chromatogram-mass spectrometry (GC-MS) and Orbitrap mass spectrometry (Orbitrap MS), which revealed the presence of cyclic and linear PGAs with different capped ends. The impurities present in the oligomer were mostly methyl-capped PGA and were retained in the subsequent depolymerization process to glycolide, solvent washing can be used to remove this part of the impurity and ultimately obtain a refined glycolide product. Furthermore, it is proposed that the use of the specialized Kendrick Mass Defect (KMD) to plot and analyze PGA compounds obtained using mass spectrometry can enable the direct classification of PGAs without the need for exact molecular formula assignment.
研究领域:
化学工程
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材料科学
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分析化学
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产品关联
DOI
PubMed
高影响因子
BMC Chemistry
·
2023
·Vol. 17
·期 1
·1-10
·
IF 4.6
Xu Daokun,Huang Haolun,Hu Wenyan,Liu Xinmei,Yang Jun
A liquid chromatography–tandem mass spectrometry (LC–MS/MS) method was developed for the analysis of ribavirin in chicken. Samples was extracted with 0.1% formic acid and purified by Hypercarb cartridge prior to LC–MS/MS analysis. The eluates were evaporated to dryness, reconstituted in 1 mL 5mM ammonium acetate containing 5% acetonitrile (v/v) and 0.1% (v/v) formic acid. Chromatographic separation was performed on a Hypercarb analytical column under a gradient elution program with acetonitrile and 0.1% (v/v) formic acid in 5 mM ammonium acetate at a flow rate of 0.6 ml/min. The intraday and interday accuracy ranged from − 7.83 − 1.39%, and − 6.38 − 2.25%, with precisions between 1.34 − 3.88%% and 1.10 − 4.67%. The limits of detection (LODs) and limits of quantitation (LOQs) of ribavirin was 0.1 ng/mL and 0.5 ng/mL, respectively. The method was validated for linearity, accuracy, precision, matrix effect and stability. Application of the method confirmed 3 ribavirin positive samples out of 50 commercial chicken samples, with concentrations of ribavirin ranging from 0.9 μg/kg to 5.8 μg/kg a, respectively. Additionally, both AB Sciex 5500 and Agilent 6945B were proven to be suitable in ribavirin separation and quantification. The described method is suitable for the determination of ribavirin in chicken in analytical practice to monitor illegal addition of this kind of anti–viral drug.
研究领域:
分析化学
·
兽药残留检测
·
食品科学
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产品关联
DOI
PubMed
高影响因子
TALANTA
·
2024
·
IF 5.6
Weiwei Chen,Kailong Yuan,Quan He,Qing Li,Jing Luo,Fengjian Chu,Huiwen Wang,Hongru Feng,Yuanjiang Pan
Mass spectrometric analysis of non-volatile salts containing samples remains challenging due to salt-induced ion suppression and contamination. This challenge is even more pronounced for a liquid chromatography-mass spectrometry analysis, where the accumulation of salts in the transmission system poses an ongoing problem. In this study, a novel thermal assisted recrystallization ionization mass spectrometry (TARI-MS) device was developed to achieve efficient on-line desalting and prolonged analysis of saline samples. The core component of this device was a heated plate positioned between the electrospray unit and the MS inlet. The desalting mechanism was demonstrated as the spontaneous separation of target molecules from salts during the “crystallization” process. After optimization, the angle between the nebulizer and the heated plate was 45°; the distance between the front end of the heated plate and the MS inlet was 2 mm; the distance between the front edge of the heated plate and the center of the sample spray projected onto the heating plate was 3 mm; the distance between the emitter of nebulizer and the heated plate was 3 mm. TARI-MS realized direct analysis of eight drugs dissolved in eight commonly used non-volatile salts solutions (up to 0.5 mol/L). The high sensitivity, repeatability, linearity, accuracy, and intra- and inter-day precision of TARI-MS confirm its reliability as a robust tool for the analysis of saline samples. Furthermore, TARI-MS allowed continuous analysis of salty eluates of LC for up to nearly 1 h without maintenance and verified the feasibility of LC-MS analysis through detecting a five-drug mixture and a crude aripiprazole product. Finally, six impurities in the crude aripiprazole product were successfully detected by LC-TARI-MS. The established method holds promise for applications across academic and pharmaceutical domains.
研究领域:
分析化学
·
药学
·
质谱
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产品关联
DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
·
2025
·
IF 6.7
Xiaoqing Cui,Shiping Chen,Haoyuan Geng,Panpan Chen,Yaqi Zhang,Min Li,Xiao Wang,Chenglong Sun
Cancer cells are marked by metabolic reprogramming. Mapping metabolites and their related functional proteins contributes to a comprehensive understanding of metabolic regulation during cancer progression. Mass spectrometry imaging enables the visualization of metabolites in heterogeneous cancer tissues. However, direct mass spectrometry analysis of functional proteins is challenging due to their high molecular weight and low ionization efficiency. Herein, we developed three mass probes for matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) analysis of Ki67, glutaminase, and arginase on biological samples. Mass probes were created by assembling thiolated mass tags (MTs) and specific antibodies on gold nanoparticles (AuNPs). The probes were able to target Ki67, glutaminase, and arginase for MALDI-MSI analysis. Thiolated MTs were dissociated online during MALDI-MSI. This empowered the conversion of Ki67, glutaminase, and arginase signals to MT ions, realizing functional protein analysis by MALDI-MSI. Additionally, MALDI-MSI was able to detect related metabolites directly in adjacent tissue sections, providing complementary data on metabolites and their related functional proteins. This helped to deepen our understanding of cancer metabolism from multiple perspectives.
研究领域:
癌症生物学
·
蛋白质组学
·
代谢组学
·
质谱技术
·
生物分析化学
·
纳米技术
✓ 已验证
产品关联
DOI
PubMed
高影响因子
Communications Chemistry
·
2024
·Vol. 7
·期 1
·1-11
·
IF 5.9
Yang Yiming,Sun Shuang,Yang Shuyuan,Yang Qin,Lu Xinqiong,Wang Xiaohao,Yu Quan,Huo Xinming,Qian Xiang
Structural annotation of small molecules in tandem mass spectrometry has always been a central challenge in mass spectrometry analysis, especially using a miniaturized mass spectrometer for on-site testing. Here, we propose the Transformer enabled Fragment Tree (TeFT) method, which combines various types of fragmentation tree models and a deep learning Transformer module. It is aimed to generate the specific structure of molecules de novo solely from mass spectrometry spectra. The evaluation results on different open-source databases indicated that the proposed model achieved remarkable results in that the majority of molecular structures of compounds in the test can be successfully recognized. Also, the TeFT has been validated on a miniaturized mass spectrometer with low-resolution spectra for 16 flavonoid alcohols, achieving complete structure prediction for 8 substances. Finally, TeFT confirmed the structure of the compound contained in a Chinese medicine substance called the Anweiyang capsule. These results indicate that the TeFT method is suitable for annotating fragmentation peaks with clear fragmentation rules, particularly when applied to on-site mass spectrometry with lower mass resolution.
研究领域:
分析化学
·
人工智能
·
生物信息学
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DOI
PubMed
高影响因子
JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH
·
2015
·
IF 0.913
Xing-Long Chen,Chang-An Geng,Ji-Jun Chen
High-resolution electrospray ionization ion-trap time-of-flight tandem mass spectrometry (HR-ESI-IT-TOF-MSn) in positive-ion mode was used to determine the accurate masses and fragmentation pathways of four C19-diterpenoid alkaloids, aconitine (1), yunnaconitine (2), crassicauline A (3), and benzoylmesaconine (4). The [M+H]+ ions of compounds 1–4 were readily observed in conventional single-stage mass spectrometry. Based on the MS1–6 analyses, detailed fragmentation rules of the four compounds were proposed. The neutral losses of AcOH, MeOH, H2O, CO, C2H4, PhCOOH and p-OMePhCOOH segments were the characteristic eliminations from the precursor ions due to the presence of acetyl, methoxyl, hydroxyl, N-ethyl, benzoyl and p-methoxyl-benzoyl units in the structures. Benefited from the high resolution of the mass analyzer, the loss of 28 Da corresponding to CO or CH4 segment in product ions was unambiguously distinguished. The losing sequence of the main substituent groups was summarized as: C(8)-acetyl>C(16)-methotyl>C(15)-hydroxyl>C(6)-methoxyl>C(1)-methoxyl/C(3)-hydroxyl>C(18)-methoxyl>>C(13)-hydroxyl. The sequential loss of (16)-methoxyl moiety and CO (generating from enol–ketone tautomerism) groups could be recognized as the characteristic eliminations for the compounds with C(16)-methoxyl and C(15)-hydroxyl groups simultaneously. The application of HR-ESI-IT-TOF-MSn technique to investigate the fragmentation of C19-diterpenoid alkaloids provided useful information to understand their fragmentation behaviors.
研究领域:
植物化学
·
分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）