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MALDI-TOF MS
ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2023 ·Vol. 415 ·期 23 ·5575-5588 · IF 4.3

Characterization of N-glycome profile in mouse brain tissue regions by MALDI-TOF/MS

Liu Yuanyuan,Han Yutong,Zhu Wenjie,Luo Qingming,Yuan Jing,Liu Xin

Glycosylation is one of the most common types of post-translational modifications in mammals. It is well known that N-glycans play a key role in cell adhesion, differentiation, synapsis, and myelination during the development of the mammalian central nervous system (CNS). Neuropathological symptoms (such as epilepsy and Alzheimer’s disease) are usually accompanied by N-glycosylation changes. In this study, we extracted N-glycan chains from eight regions of the mouse brain, and combined high-throughput, high-resolution matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF/MS) with the Fmoc N-hydroxysuccinimide ester (Fmoc-OSU) derivatization method to improve the sensitivity of glycan detection to characterize the total N-glycans in the mouse brain. A total of 96 N-glycan moieties were detected. An exhaustive examination of the relative abundance of N-glycans, coupled with a comparative analysis of differences, has uncovered discernible variations of statistical significance, including high mannose, fucosylated, sialylated, and galactosylated N-glycans. According to our investigations, a thorough and regionally specific cartography of glycans within the brain can facilitate the investigation of glycan-mediated mechanisms related to both the developmental trajectory and functional output of the brain. Additionally, this approach may serve as a basis for identifying potential biomarkers that are relevant to various brain-associated pathologies. Graphical Abstract

CAS / MDL: 82911-69-1
研究领域: 生物化学 · 神经科学 · 分子生物学
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ANALYST · 2023 ·Vol. 148 ·期 22 ·5650-5657 · IF 4.2

Fusion data from FT-IR and MALDI-TOF MS result in more accurate classification of specific microbiota

Wenjing Gao,Ying Han,Liangqiang Chen,Xue Tan,Jieyou Liu,Jinghang Xie,Bin Li,Huilin Zhao,Shaoning Yu,Huabin Tu,Bin Feng,Fan Yang

Microbes are usually present as a specific microbiota, and their classification remains a challenge. MALDI-TOF MS is particularly successful in library-based microbial identification at the species level as it analyzes the molecular weight of peptides and ribosomal proteins. FT-IR allows more accurate classification of bacteria at the subspecies level due to the high sensitivity, specificity and repeatability of FT-IR signals from bacteria, which is not achievable with MALDI-TOF MS. Previous studies have shown that more accurate identification results can be obtained by the fusion of FT-IR and MALDI-TOF MS spectral data. Here, we constructed 20 groups of model microbiota samples and used FT-IR, MALDI-TOF MS, and their fusion data to classify them. Hierarchical clustering analysis (HCA) showed that the classification accuracy of FT-IR, MALDI-TOF MS, and the fusion data was 85%, 90%, and 100%, respectively. These results indicate that both FT-IR and MALDI-TOF MS can effectively classify specific microbiota, and the fusion of their spectral data could improve the classification accuracy. The FT-IR and MALDI-TOF MS data fusion strategy may be a promising technology for specific microbiota classification.

研究领域: 微生物学 · 光谱学 · 生物信息学
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ANALYTICAL CHEMISTRY · 2011 · IF 5.874

Size-Selective Enrichment of N-Linked Glycans Using Highly Ordered Mesoporous Carbon Material and Detection by MALDI-TOF MS

Hongqiang Qin,Liang Zhao,Ruibin Li,Ren’an Wu,Hanfa Zou

Many diseases are characterized by the changes of either glycan structure or glycosylation site of glycoproteins. The glycan profiling can provide the overview of glycosylation in despite of the absence of the glycosylation sites, which in turn simplifies the complexity of disease diagnosis. Herein, we describe a simple method to profile the N-linked glycans by MALDI-TOF MS with the enrichment using oxidized ordered mesoporous carbon, taking advantages of the size-exclusive effect of mesopore against proteins as well as the interaction between glycans and carbon. Twenty four N-linked glycans derived from ovalbumin could be efficiently detected with high signal-to-noise (S/N) ratios and sufficient peak intensities. In the analysis of complex serum samples, 32 N-linked glycans could be profiled, and 5 (4 core-fucosylated glycans) of them were distinguished from liver cancer and healthy samples.

CAS / MDL: 9007-43-6
研究领域: 分析化学 · 生物医学 · 蛋白质组学
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International Journal of Gastronomy and Food Science · 2024 · IF 3.2

Discover the secrets of salty taste in Manila clam (Ruditapes philippinarum): MALDI-TOF MS and flavor fingerprint

Chaonan Sun,Wenhui Zhu,Ying Bu,Yue Ning,Jianrong Li,Xuepeng Li

In this work, the ultrasound-assisted enzymatic (UAE) conditions for salty compounds from Manila clam were optimized using a combination of fractional factorial design (FFD) and Box-Behnken design (BBD). The optimum protein extraction rate (40.13 ± 0.37), DH (25.92 ± 0.78), and salty score (4.01 ± 0.02) of salty extract were achieved with a solid-liquid ratio of 1:4 (w/w), hydrolysis temperature of 49 °C, and ultrasound time of 10 min. Sensory results showed that the UAE hydrolysates exhibited pronounced saltiness (6.25 ± 0.03) and umami (6.62 ± 0.03), with an impressively low detection threshold for salty taste at 69 mmol/L. The electronic tongue analysis revealed that the UAE hydrolysate had a distinct saltiness (3.73 ± 0.05), umami (8.96 ± 0.02) and richness (0.83 ± 0.00). The molecular weights of the peptides in the UAE solution were 84.497 Da, 211.710 Da, 380.530 Da, 568.644 Da and 830.696 Da, respectively. It was rich in alcohols, ketones and furans, and total of 79 volatile compounds (VOCs) were identified. After ultrasonic pretreatment, the content of organic acids was significantly increased, the content of succinic acid was 8.5 ± 0.24, and the content of malic acid was 4.68 ± 0.07. In conclusion, ultrasound-assisted enzymatic is an effective treatment for the extraction of salty compounds.

研究领域: 食品科学 · 生物化学
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FOOD CHEMISTRY · 2025 · IF 9.8

Enhanced authentication of organic milk using MALDI-TOF MS with combined lipid-peptide fingerprinting and machine learning integration

Minrui Zhou,Ting Li,Lingling Shen,Qisheng Zhong,Taohong Huang,Ting Zhou

This study introduces a method for authenticating organic milk and determining its geographic region using matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS). Both lipids and peptides were analyzed, and their combined dataset significantly improved classification accuracy when integrated with machine learning models. To improve method reproducibility, a binary matrix composed of α-cyano-4-hydroxycinnamic acid and 2,5-dihydroxybenzoic acid, combined with a vacuum drying strategy, was implemented. This approach reduced the relative standard deviation by approximately 25 % compared to traditional matrices. Multivariate statistical analysis identified key lipids and peptides as markers for discriminating organic from conventional milk and for geographic region classification. Integrating the lipid-peptide dataset with machine learning achieved up to 100 % accuracy, outperforming models based on single-dataset. Additionally, two-way ANOVA revealed that farming system, geographic region and their interactions significantly influenced milk composition. This method demonstrates the potential of combining MALDI-TOF MS with machine learning to prevent organic milk fraud.

研究领域: 食品科学 · 分析化学
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Pathogens · 2025 ·Vol. 14 ·期 5 ·501 · IF 3.3

Identification of Virulence Genes and Antibiotic Resistance in Extraintestinal Pathogenic Escherichia coli Isolated from Broiler Carcasses Using MALDI-TOF MS

Jia-Tong Han,Yu-Xuan Tang,Si-Yi Wu,Yi-Ran Chen,Zhan-Peng Zou,Hang Zeng,Zhongjia Yu

Escherichia colicontamination in poultry is a significant concern due to its potential to cause foodborne illness. The presence of extraintestinal pathogenicE. coli(ExPEC) strains in chicken carcasses can lead to severe human infections. This study investigates the prevalence, virulence, and antibiotic resistance ofE. coliisolates from chicken carcasses processed in both wet market and industrial environments, with a focus on the detection capabilities of MALDI-TOF MS. A total of 119E. coliisolates were obtained. Only a small proportion (5/119) carried enteropathogenic virulence genes. In contrast, 71.42% (85/119) of the isolates harbored multiple extraintestinal virulence genes. Among these,iucCandsitA, which are associated with systemic infections, were present in 68.24% (58/85) and 43.53% (37/85) of the isolates, respectively. Furthermore, 47.06% (56/119) of the isolates carrying at least two extraintestinal virulence genes were classified as ExPEC. Additionally, 94.6% (54/56) of ExPEC isolates were multidrug resistant (MDR), showing resistance to over three antibiotic classes, raising concerns about the spread of antibiotic resistance. MALDI-TOF MS profiling revealed significant heterogeneity among the ExPEC isolates, with no distinct clustering patterns based on processing environment or sampling site. These findings underscore the public health risks posed by ExPEC in poultry and emphasize the need for improved surveillance, stringent hygiene practices, and responsible antibiotic use in poultry production.

CAS / MDL: 75-05-8
研究领域: 微生物学 · 传染病学 · 食品科学 · 分子生物学
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ANALYST · 2025 · IF 3.3

Rapid identification of pathogenic bacteria from clinical positive blood cultures via virus-like magnetic bead enrichment and MALDI-TOF MS profiling

Zhirou Zhang,Enyun Xing,Wenzhuo Zhao,Minghui Song,Cuiping Zhang,Hong Liu,Xiaomin Li,Hongxiu Yu

Reducing the time required for the detection of bacteria in blood samples is a critical area of investigation in the field of clinical diagnosis. Positive blood culture samples often require a plate culture stage due to the interference of blood cells and proteins, which can result in significant delays before the isolation of single colonies suitable for matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) analysis. In this study, we developed a non-specific enrichment strategy based on SiO2-encapsulated Fe3O4 nanoparticles combined with MALDI-TOF MS for direct identification of bacteria from aqueous environments or positive blood culture samples. Three distinct types of Fe3O4@SiO2 magnetic nanoparticles (MNPs) with unique surface morphologies were developed: spherical MNPs with smooth surfaces (Fe3O4@SN), mesoporous silica coated MNPs (Fe3O4@MSN), and MNPs exhibiting a viral spiked structure (Fe3O4@VSN). These MNPs exhibited excellent binding affinity towards both Staphylococcus aureus and Klebsiella pneumoniae in PBS and artificial saliva solutions. Furthermore, the strategy of using Fe3O4@VSN, which involves non-specific interactions between bacterial cells and the virus-like surface, resulted in a dramatic reduction in the minimum detectable concentrations of target pathogens by up to 1000-fold compared to conventional methods. Our results demonstrate that the use of Fe3O4@VSN has the potential to significantly reduce the processing time required after blood culture and may be useful for enrichment and identification of microorganisms in complex clinical samples.

研究领域: 医学诊断 · 微生物学 · 纳米技术
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JOURNAL OF HAZARDOUS MATERIALS · 2025 · IF 11.3

Application and mechanism of Co3O4/Co(OH)2 heterojunctions as matrices for small molecules detection by MALDI-TOF MS

Zufeng Qiu,Kexin Yang,Zijian Huang,Hongsheng Zhao,Zhiwei Lin,Qin Kuang,Zhaoxiong Xie

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) has emerged as a superior technique for detecting small molecules, owing to the strategic utilization of inorganic nanomaterial matrices. Despite the impressive capabilities of various novel matrices, the underlying interaction mechanisms between inorganic matrices and analytes remain largely unexplored. In this study, we synthesized Co 3 O 4 nanocubes, Co(OH) 2 nanosheets, Co 3 O 4 /Co(OH) 2 heterojunctions, and Co 3 O 4 +Co(OH) 2 composites via a facile one-pot method. Amino acids were selected as model analytes for performance evaluation. Notably, the Co 3 O 4 /Co(OH) 2 heterojunctions significantly enhanced signal intensity and lowered detection limits to the parts-per-billion (ppb) level, outperforming Co 3 O 4 nanocubes, Co(OH) 2 nanosheets, and Co 3 O 4 +Co(OH) 2 composites. The detection results for environmental pollutants, especially in solutions containing real samples, highlight the outstanding performance of the heterojunction material as a matrix. Further characterization indicates that the formation of the heterojunction enhances nanoparticle dispersion and promotes the separation of photogenerated electron-hole pairs. Consequently, more photogenerated charge carriers can be transferred to the target analytes, facilitating their charging ability and ultimately enhancing signal intensity in MALDI-TOF MS. These results clearly demonstrate that the enhanced photocatalytic performance directly drives the improvement of MALDI-TOF MS performance, excluding interference from other factors. Thus, this study successfully combines photocatalytic mechanisms with MALDI-TOF MS mechanisms, providing new insights into the enhancement of MALDI-TOF MS performance. Additionally, it offers a new detection method for environmental pollutants.

CAS / MDL: 333-20-0
研究领域: 分析化学 · 环境科学 · 材料科学
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY · 2020 ·Vol. 412 ·期 13 ·3091-3101 · IF 3.637

Direct identification and metabolomic analysis of Huanglongbing associated with Candidatus Liberibacter spp. in navel orange by MALDI-TOF-MS

Liu Yongquan,Xue Ahui,Ding Lili,Hao Yingbin,Liu Huihui,Cui Meng,Liu Lihua,Nie Zongxiu,Luo Liping

Citrus Huanglongbing (HLB) is one of the most destructive citrus diseases worldwide, and is associated with the phloem-limited plant pathogenic bacteria Candidatus Liberibacter species. However, there is a latency period during which newly infected trees do not show symptoms, creating challenges for the early detection of HLB. In order to establish a method for rapid detection and to assess the metabolite differences between healthy and HLB-affected Newhall navel oranges, we used matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) to study asymptomatic and symptomatic leaf extracts compared with healthy leaves. The results showed that healthy, asymptomatic, and symptomatic leaves were distinguishable using MALDI-TOF-MS combined with multivariable analysis. Discriminant analysis (DA) results showed that the accuracy of discrimination of the training set and the success rate of cross-validation analysis were both 100%. Blind testing revealed that nine validation samples were correctly classified to their corresponding group. In addition, 32 MS peaks of metabolites had significant differences between healthy and different HLB-affected navel orange leaves. Among 32 MS peaks, the relative content of nine substances showed an upward trend, and 19 metabolites showed a downward trend, including a significant decrease in malate and citrate, with an increase in HLB bacterial populations. Malate and citrate were found to be specifically reduced in infected leaves regardless of whether symptoms appeared. Thus, they could be used as potential biomarkers for early detection of HLB, reducing false-negative results caused by uneven distribution of the HLB bacterial pathogen. This novel method can efficiently differentiate HLB-affected samples from the host population and provide new information for early detection of HLB in citrus. The entire process from metabolite extraction to the collection of mass spectra of citrus leaves was a simple operation, with no need for sterile conditions. We believe this strategy has significant implications for rapid and effective HLB screening. Graphical abstract

CAS / MDL: 67-56-1 57-50-1
研究领域: 植物病理学 · 代谢组学
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TALANTA · 2022 · IF 6.556

MALDI-TOF MS method for differentiation of methicillin-sensitive and methicillin-resistant Staphylococcus aureus using (E)-Propyl α-cyano-4-Hydroxyl cinnamylate

Wenjing Gao,Bin Li,Ling Ling,Li Zhang,Shaoning Yu

Differentiating methicillin-sensitive and methicillin-resistant Staphylococcus aureus (MRSA and MSSA) is crucial for clinical diagnosis and anti-microbial treatment. Matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF MS) is an efficient tool for identifying pathogenic microorganisms at the bacterial species level. Here, we found that MRSA and MSSA can be differentiated by MALDI-TOF MS by employing (E)-propylα-cyano-4-hydroxyl cinnamylate (CHCA-C3) as the matrix, which shows great performance for proteins/peptides, especially hydrophobic proteins. The results show that the mass spectra profile of standard MRSA (ATCC 43300) is significantly different from the profiles of standard MSSA strains (ATCC 25923 and 29213) when using CHCA-C3 as the matrix compared to traditional matrix. The mass profiles had great reproducibility and were scarcely influenced by the growth medium. Due to the enhanced discrimination ability of CHCA-C3, we collected the mass spectra of 62 clinical S. aureus strains and selected four representative peaks for principal component analysis, which showed great differentiation. Our results suggest that employing a suitable matrix could enhance the discrimination ability of antibiotic-resistant bacteria by MALDI-TOF MS.

CAS / MDL: 490-79-9 530-59-6
研究领域: 微生物学 · 临床医学 · 分析化学
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MICROCHEMICAL JOURNAL · 2024 · IF 4.9

A promoted MALDI-TOF-MS platform towards rapid and accurate identifications of bacteria

Nan Zhao,Hao Wang,Jiarui Li,Xi Lin,Liming Guo,Xinhua Guo

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) is emerging as the most powerful tool for the identification of bacteria. Herein, we demonstrated that the capability of MALDI-TOF-MS towards the discrimination of clinical bacteria can be further dramatically improved. A cooperative matrix consisting of (E)-propyl α-cyano-4-hydroxylcinnamylate (CHCA-C3) and α-cyano-4-hydroxycinnamic acid (CHCA) was used to replace the commonly used matrix CHCA. As a result, 1.4–3.8 times more fingerprint peaks have been identified by the cooperative matrix in comparison with CHCA when six different bacteria were studied. The peaks distribute in the wider m / z range, and the spectral quality has also been significantly improved. As an example of practical applications, the direct and more reliable discrimination between Escherichia coli (E. coli) and Shigella sonnei ( S. sonnei) was achieved based on their protein fingerprints, which was previously claimed to be impossible by CHCA. Thus, a promoted MALDI-TOF-MS platform towards bacterial identification has been established by utilizing the new cooperative matrix, which will exhibit great potential for many applications.

研究领域: 分析化学 · 微生物学 · 质谱学
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FOOD CHEMISTRY · 2020 · IF 6.306

An easy and rapid separation method for five major proteins from egg white: Successive extraction and MALDI-TOF-MS identification

Shengnan Ji,Dong Uk Ahn,Yunlong Zhao,Kai Li,Shugang Li,Xi Huang

Five major proteins from egg white were separated using a successive extraction/precipitation protocol. The yield and purity of the separated proteins were measured. The separated proteins were confirmed by MALDI-TOF-MS, and their structures were characterized by CD spectrum. Lysozyme was first separated using FPC 3500 resin and then ovomucin from the lysozyme-free egg white. Ammonium sulfate and citric acid were added to the resulting lysozyme- and ovomucin-free egg white solution to precipitate ovotransferrin. Ovomucoid and ovalbumin were separated from the resulting supernatant using ethanol. The separated proteins were further purified and the optimal conditions for the further purifications were suggested. The purity and yield of lysozyme, ovotransferrin, ovalbumin, and ovomucoid were higher than 90% and 77%, while those of ovomucin were about 72% and 75%, respectively. This study separated five major proteins in egg white successively using resin adsorption, pH adjustment, salt/ethanol precipitation, and ultrafiltration.

CAS / MDL: 151-21-3
研究领域: 食品科学 · 蛋白质化学 · 分析化学
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