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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高影响因子
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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PubMed
高影响因子
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2022
·Vol. 414
·期 29
·8447-8461
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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
·
中药学
·
材料科学
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PubMed
高影响因子
Food & Function
·
2025
·
IF 5.4
Jiapan Gan,Jiayan Xie,Xin Xu,Jiahao Ai,Sisi He,Jiafen Zou,Qiang Yu,Hongli Jin,yanfang liu,Xinmiao Liang
ZhangTouHong (ZTH), highly valuable edible-medicinal resource rich in bioactive flavonoids, lack of chemical composition and biological activities studies. In this work, a preparation process was developed to prepare flavonoid multi-components (FMC) from ZTH, which showed high efficiency and specificity, and increased total flavonoid content by 4.62-fold. Based on UPLC- Q-TOF- MS/MS and molecular networks, the FMC in ZTH were identified for the first time, with a total of 48 flavonoid compounds identified, including 3 potential new compounds. Moreover, the verification results of anti-aging activity demonstrated that FMC have excellent antioxidant activity and anti-aging capacity, extending nematodes lifespan by 21.65% and survival time of oxidative stress nematodes by 35.71%. In summary, this study established an efficient and scalable preparation process for preparing bioactive flavonoid components, and for the first time verified the anti-aging effect of ZTH FMC, providing the scientific basis for deep development and industrial application of this characteristic citrus resource.
研究领域:
天然产物化学
·
药用植物学
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分子生物学
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抗衰老研究
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食品科学
·
分析化学
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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
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分析化学
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毒理学
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药物代谢
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PubMed
高影响因子
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
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生物化学
·
分析化学
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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
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机器学习
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光谱学
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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
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微生物学
·
分析化学
·
生物技术
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高影响因子
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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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
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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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）