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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PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2022
·Vol. 414
·期 29
·8447-8461
·
IF 4.478
Li Hui,Ma Chunxia,Gao Meng,Li Yong,Xie Lei,Zhao Dantong,Zhang Runhao,Zhang Guanhua,Li Wenhan,Rong Rong,Kong Biao
The inhomogeneous distribution of co-crystallized analytes and the traditional organic matrices as well as the intensive background interference in the low molecular weight range hinder the application of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) in the analysis of small-molecular compounds. New two-dimensional material MXene (e.g., Ti 3 C 2 ) exerts better hydrophilicity, homogeneity and repeatability, and higher laser desorption efficiency, as well as less background interference than traditional organic matrices and other nanomaterial matrices such as titanium oxide, graphene, and gold nanostructures. This study was aimed to design Ti 3 C 2 matrix with abundant hydroxyls on its surface, enhance the stability of this hydroxyl-rich Ti 3 C 2 (Ti 3 C 2 (OH) x ), and evaluate the analytical performances of Ti 3 C 2 (OH) x -assisted laser desorption/ionization time-of-flight mass spectrometry (LDI-TOF-MS) for small-molecular natural compounds in complex samples. The developed Ti 3 C 2 (OH) x showed the distinct advantages such as minimum background interference, high peak intensity (~10 5 ), high salt (0.6 M) and protein (0.5 mg/mL) tolerance, good repeatability (relative standard deviation<20%), and good stability after eight months of storage. Ti 3 C 2 (OH) x -assisted LDI-TOF-MS analysis could be used to rapidly identify Artemisia annua (a world-famous traditional Chinese medicine) and quantify the contents of the main chemical ingredients (oxymatrine (OXY) and matrine) of Compound Kushen Injection (CKI). Interestingly, the content of OXY in CKI could be accurately quantified by Ti 3 C 2 (OH) x -assisted LDI-TOF-MS, and there was a good linear relationship ( R 2 −0.9929), a low limit of detection (400 pg), and a low limit of quantification (600 pg) of OXY. Taken together, the rapid and accurate analysis of small-molecular natural compounds in complicated samples could be achieved by the Ti 3 C 2 (OH) x -assisted LDI-TOF-MS analysis. Graphical abstract
研究领域:
分析化学
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中药学
·
材料科学
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PubMed
高影响因子
JOURNAL OF FOOD SCIENCE
·
2025
·Vol. 90
·期 1
·e70010
·
IF 3.4
Wanyi Zhang,Qiuqi Peng,Linhan Yuan,Caiwen Wu,Mengqi Wang,Hongbo Li,Hongjuan Li,Jinghua Yu
Infant formulas are constantly being updated and upgraded, and N-glycans are functional glycans that have not been fully exploited to date. Commercial whey protein materials are often used as basic ingredients in infant formulas. Therefore, it is important to study N-glycans in commercial whey protein materials. We used matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) and ion chromatography to analyze N-glycans in bovine lactoferrin (Lf), whey protein isolate (WPI), whey protein concentrate 70 (WPC 70), goat whey protein powder 50, demineralized whey powder 90 (D90), and desalted goat whey powder. The results showed that 30, 6, 28, 16, 8, and 9 N-glycans were found in Lf, D90, desalted goat whey powder, WPI, WPC 70, and goat whey protein powder 50, respectively. A total of four structures of N-glycans were detected in this study. Only bovine Lf and WPC 70 contained fucosylated and sialylated binding (SFN-type) glycan structures. Regarding content, WPC 70 showed the highest yield of 14.5 mg/g, and the degree of sialylation was higher than fucosylation. This study provides a potential basis for the future use of commercial whey protein materials in dairy products such as infant formula.
研究领域:
营养学
·
生物化学
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PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Zifang Peng,Yanhao Zhang,Yide Dong,Wuduo Zhao,Jian Mao,Qidong Zhang,Gangfeng Ouyang,Shusheng Zhang,Jianping Xie
Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry imaging (MALDI-TOF MSI) generally possess difficulties for analysis of small-molecule environmental pollutants. In the present study, an unreported straightforwardly synthesized ternary-doped boron, nitrogen, sulfur-MXene quantum dots (BNS-MQDs) was incorporated into photopolymer clear resin, and the mixture was applied to manufacture of a novel 3D-printed MALDI target plate (3D-MTP). Due to BNS-MQDs’ nano-size, uniform shape and excellent capabilities of energy absorption/transfer, their doping helped the self-made 3D-MTP successfully achieve multi-dimensional MALDI-TOF MSI of small-molecule environmental contaminants. 3D printing technology also made construction of 3D-MTP cheap ($ 0.1) and time-saving (20 min), considerably reducing experimental cost. Furthermore, MALDI-TOF MSI using BNS-MQDs-based 3D-MTP did not need manual and instrumental matrix spray, which is conducive to obtaining accurate and reproducible imaging results. Besides excellent performance of 2D MSI of environmental contaminants, 3D-MTP was also successfully employed to 3D MALDI-TOF MSI of an emerging polluted antioxidant, N, N’ -di-2-naphthyl-p-phenylenediamine (DNPD), in female zebrafish after exposure. The enrichment of DNPD in female zebrafish was found in eye, gill, liver, intestine and ovary for the first time. Overall, the developed BNS-MQDs-based 3D-MTP showed compelling application prospects in multi-dimensional MALDI-TOF MSI research of small-molecule environmental xenobiotics.
研究领域:
分析化学
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环境科学
·
生物医学
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高影响因子
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
·
2023
·Vol. 30
·期 42
·95425-95437
·
IF 5.8
Zheng Guanfeng,Fu Peng,Li Zhiyu,Zhang Yuchun,Huang Xinfeng,Chen Jieming
Wood has a rich three-dimensional pore structure and many bottom-up nanochannels. However, the structure of wood itself has limited ability to adsorb dyes, so the effective combination of the unique structure of wood and Pd NPs was studied to achieve efficient degradation of dyes. First, the three-dimensional structure of natural wood is optimized by combining the complex pore structure of wood with Pd NPs to improve the contact process between the dye and Pd NPs. Then, Pd (II) ion can be well reduced to Pd NPs by wood lignin. In addition, Pd NPs can be fixed by hydroxyl groups on cellulose in wood. The flow state inside Pd NPs/wood film and the contact area between catalyst and dye were discussed in detail by hydrodynamic simulation, which filled the gap. It provides reference for composite structure. When Pd NPs/wood membrane was used to treat methylene blue (MB), the degradation efficiency was up to 96.7%, which was 90% higher than that of natural wood. Its TOF value was 1.82 mol MB mol Pd −1 min −1 , which was higher than that in the previous literature. Therefore, the novelty of this study is that the mechanism of catalytic degradation of MB by Pd nanoparticles/wood composites is reported for the first time. The internal flow mode and contact condition of the new material are understood, which has a good application prospect. Graphical Abstract
研究领域:
环境科学
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材料科学
·
化学工程
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PubMed
高影响因子
Foods
·
2022
·Vol. 11
·期 24
·3957
·
IF 5.561
Lingyu Li,Zhichang Qiu,Mingdi Jiang,Bin Zhang,Qiang Chen,Chaojie Zhang,Zhenjia Zheng,Xuguang Qiao
This study is aimed at developing novel analytical methods to accurately visualize the spatial distribution of various endogenous components inArctium lappaL. (A. lappa) roots, and to precisely guide the setting of pre-treatment operations during processing technologies and understand plant metabolism process. The matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) imaging technology was used for visual demonstration of the in situ spatial distribution inA. lapparoots. This work consisted of four steps: matrix selection, section preparation, matrix coating, and MALDI-TOF MS imaging analysis. Consequently, eight saccharides, four caffeoylquinic acids, four flavonoids, six amino acids, one choline, and one phospholipid were imaged and four unidentified components were found. Saccharides were distributed in the center, whereas caffeoylquinic acids and flavonoids were mainly present in the epidermis and cortex. Furthermore, amino acids were mainly detected in the phloem, and choline in the cambium, while phosphatidylserine was found in the secondary phloem and cambium. This study demonstrated that MALDI-TOF MS imaging technology could provide a technical support to understand the spatial distribution of components inA. lapparoots, which would promote the processing technologies forA. lapparoots and help us to understand the plant metabolism process.Keywords:Arctium lappaL.;MALDI-TOF mass spectrometry imaging;chemical components;spatial distribution
研究领域:
分析化学
·
植物代谢
·
药学
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PubMed
高影响因子
CURRENT DRUG METABOLISM
·
2023
·
IF 2.3
Zhou Shuhan,Song Xiaoting,Fang Pengkai,Xu Jingyi,Liu Siqi,Zheng Tian,Wu Guoping,Wu Liang
Background: Benzodiazepines (BZDs) are compounds that contain one diazepine ring and two benzene
rings, and are widely used to treat central nervous system diseases. However, drug abuse and BZDs' illegal addition
may affect normal life and even lead to grave social harm. As BZDs may be metabolized and eliminated quickly, it is
of great theoretical and practical significance to clarify their metabolic profile.
Objective: In this paper, LC-Q-TOF/MS-based fragmentation behavior has been investigated for nine benzodiazepine
drugs available and widely used in clinical treatment (diazepam, nitrazepam, clonazepam, oxazepam, lorazepam,
alprazolam, estazolam, triazolam, and midazolam), and their metabolic profile has been studied by using in vitro
human liver microsomal incubation.
Methods: A regular human liver microsomal system was used to investigate the potential biotransformation of the
nine benzodiazepines in vitro, and an LC-Q/TOF-MS was used to perform fragmentation behavior studies and metabolite
identification.
Results: As a result, characteristic fragmentation pathway and diagnostic fragment ions of the nine BZDs were analyzed,
and 19 metabolites of the 9 benzodiazepines were found and identified, with glucuronidation and hydroxylation
considered as their most important metabolic pathways.
Conclusion: These experimental data add to our knowledge of the nine benzodiazepine drugs and their metabolism
study, which could provide useful information and evidence of their in vivo metabolic profile prediction and help
promote their monitoring in both clinical use and social/illegal abuse.
研究领域:
药理学
·
分析化学
·
毒理学
·
药物代谢
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PubMed
高影响因子
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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PubMed
高影响因子
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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PubMed
高影响因子
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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PubMed
高影响因子
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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高影响因子
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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高影响因子
危险品化学品经营许可证（带存储）