JOURNAL OF MASS SPECTROMETRY
·
2026
·Vol. 61
·期 9
·e70102
·
IF 2.1
Shuyi Wang,Meiying Liu,Ling Ling,Chuan-fan Ding
Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) analysis of saccharides, particularly high-molecular-weight polysaccharides, is often hampered by low ionization efficiency. To overcome this limitation, we developed a novel composite matrix comprising 4-hydrazinoquinazoline (4-HQ) and caffeic acid (CA). This matrix synergistically enhances saccharide detection: 4-HQ specifically targets the hemiacetal termini of reducing saccharides via hydrazone formation, thereby improving ionization efficiency, while CA maintains an acidic condition for derivatization and extends the detectable mass range. Using dextran 6 k as a model, we systematically optimized the 4-HQ/CA ratio, reaction temperature, and reaction time. The optimized 4-HQ/CA matrix enabled direct profiling of oligo/polysaccharides in inulin and garlic extracts, as well as N-glycans from ovalbumin and fetuin. Notably, even for non-reducing saccharides where derivatization is precluded, 4-HQ/CA outperformed conventional 2,5-dihydroxybenzoic acid (DHB) by detecting more species with higher signal-to-noise ratios. This versatile composite matrix shows potential for robust analysis of saccharides in glycobiology and food science.
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MICROCHEMICAL JOURNAL
·
2025
·
IF 5.1
Jiarui Li,Hao Wang,Nan Zhao,Shuai Tang,Jiancheng Xu,Xinhua Guo
Antibiotic resistance has become a major global health concern, and carbapenems as the last resort antibiotics are in crisis. Resistant bacteria produce carbapenemase, which can destroy the central β-lactam ring of the carbapenems through hydrolysis, leading to the inactivation of the antibiotics. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has been widely used in clinical laboratories for bacterial identification, but challenges remain in simultaneous identification of resistant bacteria. Herein, a MALDI-TOF MS probe (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methy-1–7-oxo-3-((2-(pyrazin-2-yl)ethyl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PTACA), was designed and synthesized, which shows high specificity for carbapenemase compared to other prevalent β-lactamases. Using PTACA, 20 of carbapenem-resistant Enterobacteriaceae (CRE) strains have been successfully discriminated among a total of 58 clinical strains (CRE identification rate 100%). CRE strains presented in artificial urine also has been identified, demonstrating application potential of PTACA in timely diagnosis of CRE urinary tract infections. Our study highlights PTACA as a powerful MALDI-TOF MS probe to promote clinical bacteria identification.
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2025
·
IF 3.8
Lin Chenyao,Mao Menglu,Wu Qiaoping,Qiu Xuedan,Ma Dumei,Ding Chuanfan,Yan Yinghua,Li Qingcao
The global spread of carbapenemase-producing Klebsiella pneumoniae represents a critical threat to public health, necessitating the development of rapid, sensitive, and reliable diagnostic methods. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has gained attention as a high-throughput, rapid diagnostic tool for detecting carbapenemase-mediated hydrolysis. However, the effectiveness of conventional organic matrices is limited by inadequate stability, low detection sensitivity, and substantial background interference. In this study, we developed novel bimetallic nanotubes (N-CNT@Zn-Ga/MOF@Au) as a MALDI matrix by integrating nitrogen-doped carbon nanotubes (N-CNT) with a Zn-Ga-based metal–organic framework (MOF) and gold nanoparticles (AuNPs). This nanocomposite exhibited a high surface area, enhanced light absorption, and reduced background noise, contributing to improved signal intensity, reproducibility, and analytical sensitivity. Leveraging this matrix, we analyzed 204 K. pneumoniae clinical isolates for carbapenemase activity through imipenem hydrolysis assays. The method demonstrated exceptional performance, achieving 97.2% sensitivity and 100% specificity within 15 min, with KPC-2-producing strains detected with 100% accuracy. Extending incubation to 1 h allowed for reliable detection of all carbapenemase types, including weaker enzymes such as OXA-48. These findings demonstrate the potential of N-CNT@Zn-Ga/MOF@Au as an advanced MALDI matrix for rapid and accurate detection of carbapenemase activity, with important applications in resistance monitoring and clinical decision support. Graphical
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JOURNAL OF MICROBIOLOGICAL METHODS
·
2026
·
IF 2.5
Weiyi Wu,Yan Zhou,Fan Liu,Yilei Zhu,Zhiwu Dong
Accurate microbial identification based on lipid profiling offers promising applications in diagnostics and microbial ecology. In this study, five lipid pretreatment methods—Maldixin, chloroform–methanol, tert-butyl methyl ether, isobutyric acid–ammonium hydroxide, and sodium acetate (SA) buffer (pH 4.0)—were systematically evaluated using MALDI-TOF mass spectrometry operated in linear negative-ion mode. Among the tested methods, the SA buffer method provided a favorable balance between operational feasibility, extraction efficiency, and spectral quality. Compared with positive-ion mode, negative-ion mode yielded high-intensity lipid peaks and superior spectral clarity, particularly for Acinetobacter baumannii . Lipid profiles were generated from 203 bacterial strains representing six species, revealing distinct species-specific lipid fingerprints. A lipid fingerprint database was subsequently constructed and validated using an independent set of 144 strains, achieving identification accuracies of 81.9% at the species-level and 97.2% at the genus-level. While overall species-level accuracy remains lower than that of conventional protein-based systems, these results indicate that linear negative-ion mode MALDI-TOF MS provides complementary lipid information that may enhance microbial characterization. Further optimization of sample preparation and database algorithms is warranted to support broader clinical application.
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TALANTA
·
2017
·
IF 4.162
Dandan Jiang,Xiqian Li,Jiutong Ma,Qiong Jia
In this study, we designed a gadolinium-based immobilized metal ion affinity chromatography material for the selective enrichment of phosphopeptides. Gadolinium ion was immobilized on the surface of glutathione-coated magnetic nanoparticles through a facile and effective synthetic route. The adsorbent integrated the advantages of superparamagnetism of Fe 3 O 4 core, good biological compatibility of glutathione , and strong interaction between gadolinium ion and phosphopeptides. It was employed to enrich phosphopeptides from standard protein digests coupled with MALDI-TOF MS. Results demonstrated that the adsorbent possessed high selectivity for phosphopeptides, good reusability and reproducibility. Moreover, the material provided selective enrichment of phosphopeptides from real samples including non-fat milk digests and human serum. The developed method exhibited high sensitivity (detection limit of 10 fmol), showing great potential in the detection of low-abundance phosphopeptides in biological samples.
研究领域:
生物化学
·
分析化学
·
医学检测
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Food Analytical Methods
·
2022
·Vol. 16
·期 1
·132-142
·
IF 3.498
Pu Keyuan,Qiu Jiamin,Li Jiaying,Huang Wei,Lai Xiaopin,Liu Cheng,Lin Yan,Ng Kwan-Ming
The problem of adulteration and mislabeling in meat products has raised the public concerns globally. An easy-operation, fast, and robust method that is applicable to routine inspections is urgently needed. This study showed that the MALDI-TOF MS protein profiling of four meat species (beef, chicken, duck, and pork) combining with partial least squares discriminant analysis (PLS-DA) discovered 57 feature peaks for their unambiguous differentiation. Among them, 36 were identified in Uniprot. Based on the linear relation between the intensities of feature peaks, the partial least squares regression was successfully applied to build the prediction models for determining the adulteration ratios of beef meat mixtures containing one of the other three species. Blind tests were applied to evaluate the method and the average prediction accuracy at 94.7% was achieved. Taking duck meat as the adulterant, the detection sensitivity of the method could be down to 5%. Moreover, the method has also been successfully applied to analyze market samples and the results were in agreement with the PCR method, showing the potential of its practical application for qualitative and quantitative analysis of adulterated beef products.
研究领域:
食品科学
·
生物化学
·
分析化学
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FOOD CHEMISTRY
·
2022
·
IF 9.231
Zhaoliang Chai,Winnie C. Soko,Jing Xie,Hongyan Bi
Bacterial contamination is a significant concern in food safety. Traditional methods, though being a gold standard for bacterial detection, are time-consuming. In this work, we managed to establish a simple and versatile magnetic-assisted microfluidic method for rapid bacterial detection of fish muscle products, by manipulating anti-human IgG functionalized magnetic beads in a zig-zag shaped microfluidic channel, increasing the probability for bacteria capture. The captured bacteria were characterized by matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS). This method is capable of isolating Escherichia coli , Staphylococcus aureus and Klebsiella pneumoniae from 5 μL of sablefish sarcoplasmic protein sample, and detecting Escherichia coli in the range of 6.0 to 6.0×10 4 CFU/mL with a detection limit of 6 CFU/mL. Bacterial growth on salmon sashimi during its period of storage was successfully monitored. The current protocol holds great potential for pathogen detection and microbial control in the food industry.
研究领域:
食品科学
·
微生物学
·
分析化学
·
生物技术
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ANALYST
·
2024
·
IF 3.6
Jian Song,Wenlong Liang,Hongtao Huang,Hongyan Jia,Shouning Yang,Chunlei Wang,Huayan Yang
Typing of bacterial subspecies is urgently needed for the diagnosis and efficient treatment during disease outbreaks. Physicochemical spectroscopy can provide a rapid analysis but its identification accuracy is still far from satisfactory. Herein, a novel feature-extractor-based fusion-assisted machine learning strategy has been developed for high accuracy and rapid strain differentiation using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) and Raman spectroscopy. Based on this fusion approach, rapid and reliable identification and analysis can be performed within 24 hours. Validation on a panel of important pathogens comprising Staphylococcus aureus, Klebsiella pneumoniae, Escherichia coli, and Acinetobacter baumannii showed that the identification accuracies of k-nearest neighbors (KNNs), support vector machines (SVMs) and artificial neural networks (ANNs) were 100%. In particular, when benchmarked against a MALDI-TOF MS spectral dataset, the new approach improved the identification accuracy of Acinetobacter baumannii from 87.67% to 100%. This work demonstrates the effectiveness of combining MALDI-TOF MS and Raman spectroscopy fusion data in pathogenic bacterial subtyping.
研究领域:
微生物学
·
生物信息学
·
机器学习
·
光谱学
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CHEMBIOCHEM
·
2018
·Vol. 19
·期 11
·1154-1161
·
IF 2.774
Fuzhong Ouyang,Zhihao Zhao,Ruifang Gao,Rui Shi,Enhui Wu,Rui Lv,Guoqiang Xu,Jian Liu
Graphical Double distinction : A dual maleimide tagging method has been developed for both relative and absolute quantitation of cysteine-containing peptides (CCPs) in combination with MALDI-TOF mass spectrometry. The maleimides, N -methyl- and N -ethylmaleimide, with minimal differences in chemical structure, have been chosen to allow for the rapid tagging of CCPs with high efficiency. A dual maleimide (DuMal) tagging method has been developed for both relative and absolute quantitation of cysteine-containing peptides (CCPs) in combination with MALDI-TOF mass spectrometry. A pair of maleimides with minimal differences in their chemical structures, N -methylmaleimide and N ethylmaleimide, have been chosen to allow for the rapid (≈minutes) tagging of CCPs in the Michael addition reaction with high efficiency. It has been validated that the DuMal tagging technique is sensitive and reliable in the quantitative analysis of CCPs. Absolute quantitation of CCPs can be achieved with a detection limit as low as 7.3 n m . Relative quantitation of CCPs can be performed in various sample mixtures with consistent results (coefficient of variation <5 %). The DuMal tagging technique provides a sensitive and accurate approach for the quantitation of biomolecules containing thiol reactive sites; thus it is promising for protein detection, disease diagnosis, and biomarker discovery associated with post-translational modifications of cysteines.
研究领域:
生物化学
·
蛋白质组学
·
医学诊断
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TALANTA
·
2021
·
IF 6.057
Xi Lin,Chunsheng Xiao,Ling Ling,Liming Guo,Xinhua Guo
Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) is a widely used tool for the analysis of carbohydrates. However, the detection of carbohydrates by MALDI-TOF MS is often limited by the unsatisfactory ionization efficiency, instability and the matrix interference in low molecular weight region. Here, we demonstrate that a reactive matrix, 2-hydrazinoquinoline (2-HQ), can be used to detect neutral, sialic and low molecular weight carbohydrates sensitively both in the positive and negative ion mode. Since 2-HQ reacts efficiently with the reducing end of carbohydrate to form stable hydrazone , the ionization efficiency of derived carbohydrates is significantly enhanced. Using 2-HQ, the sensitivity for analyzing glycans has been improved 10-fold and 100-fold compared with those using 3-aminquinoline (3-AQ) and 2,5-dihydroxybenzoic acid (DHB) as matrix, respectively. Moreover, quantitative analysis of neutral, acidic and low molecular weight carbohydrates has been achieved because of the good reproducibility by using 2-HQ as matrix. As a result, up to 50 glycans in a single sample spot of human fresh serum without any prior purification and enrichment have been successfully detected. Therefore, 2-HQ as a new reactive matrix has shown great potentials in widespread applications for sensitive, selective, quantitative, high speed and high throughput analysis of carbohydrates in complex samples by MALDI-TOF MS.
研究领域:
分析化学
·
质谱分析
·
碳水化合物化学
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Food Chemistry-X
·
2022
·
IF 6.443
Zhaoliang Chai,Hongyan Bi
In the present study, E. coli was taken as a model bacterium, anti- E. coli functionalized magnetic beads were constructed and used to capture E. coli from aqueous extracts of fish sarcoplasmic protein (FSP) and fish muscle protein of sablefish. The excellency of the reproducibility of the present protocol was demonstrated by capturing E. coli from sablefish FSP extracts. The presence of 10 CFU/mL E. coli is still detectable. A microbial safety test on the surface of fish muscle was successfully performed. The bacterial identification accuracy from samples with different matrices was found to be excellent with RSD = 3%. High specific detection of target bacteria in complex biological samples was testified by spiking Staphylococcus aureus and Klebsiella pneumoniae in samples as interference. Ten biomarker ions were discovered for E. coli ’s recognition. It is promising to apply the present protocol in bacterial analysis in muscle food samples to ensure their safety.
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
·
2022
·
IF 1.934
Xiaoyan Liu,He Zhu,Yanan Li,Hongqiang Qin,Mingliang Ye
In this study, we presented a MALDI-TOF MS based approach for the screening of recombinant protein high-yield strains. It relies on the MALDI MS analysis of the affinity tag containing peptide that released from the targe t recombinant proteins expressed in host strains. This approach was illustrated by quantifying the His-tag containing target peptide which was removed from the recombinant protein of Src Homology 2 superbinder by tobacco etch virus protease . After the specific enrichment and detection of target peptide with the theoretical molecular weight of 1895.09 Da, we could achieve the identification of strains with different expression levels of Src Homology 2 superbinder. Furthermore, the screening of strains at the absolute quantitative level was realized by adding the synthesized heavy labeled peptide as internal standards, and the quantitative results have a good linear correlation. In general, based on the virtue of high speed, accuracy and sensitivity of MALDI-TOF MS, this approach has the potential to achieve high throughput detection, and then provide powerful technical support for the screening of recombinant protein high-yield strains.
研究领域:
生物化学
·
分子生物学
·
蛋白质组学
·
微生物学
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危险品化学品经营许可证（带存储）