Foods
·
2024
·Vol. 13
·期 14
·2242
·
IF 4.7
Ting Cai,Nan Hai,Peng Guo,Zhi Feng,Yu Zhang,Jing Wang,Zhipeng Yu,Huan Liu,Long Ding
The objective of this study was to investigate the umami characteristics of soy sauce using electronic tongue evaluation and amino acid composition and matrix-assisted laser desorption ionization–time of flight mass spectrometry (MALDI−TOF MS) analysis. The soy sauce peptides were isolated from soy sauce using XAD−16 macroporous resin combined with ethanol solution. The results showed that the soy sauce peptide fraction eluted by 60% ethanol (SS−60%) exhibited a prominent umami taste, and the umami scores were highly positively correlated with the amino acid nitrogen contents of soy sauces. The umami scores of SS−60% were significantly positively correlated with the contents of free amino acids. Especially, Phe showed the highest positive correlation with the umami scores. In addition, five characteristic ion peaks withm/zat 499, 561, 643, 649, and 855 were identified in the peptide mass fingerprinting. Therefore, this study provides new insights into the umami characteristics for the taste evaluation and reality identification of soy sauce.
研究领域:
食品科学
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分析化学
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感官评价
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PubMed
高影响因子
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS
·
2026
·
IF 4.6
Rongrong Dong,Yifei Wang,Lei Song,Jiayin Wang,Chun Yang,Xufeng Ji,Qi Zhou,Hao Wang,Xinhua Guo,Jiancheng Xu
Background Carbapenem-resistant Escherichia coli (CREC) producing New Delhi metallo-beta-lactamase (NDM) poses a substantial threat to global public health. Prompt detection of CREC is essential for effective patient management and to curb the spread of resistance. Objective This study aims to establish a rapid and reliable detection method for NDM-producing CREC using matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS) in conjunction with machine learning (ML) techniques. Methods Clinical isolates of E. coli were collected from the First Hospital of Jilin University’s clinical laboratory from August 2018 to December 2022. PCR was employed to detect 23 prevalent resistance genes in the isolates. Protein profiles were analyzed by MALDI-TOF MS with a cooperative matrix consisting of (E)-propyl α-cyano-4-hydroxylcinnamylate (CHCA-C3) and α-cyano-4-hydroxycinnamic acid (CHCA). By comparative analysis of nine ML algorithms, the optimal Random Forest (RF) algorithm was identified and used to find the NDM specific ion peaks. Furthermore, the NDM gene was cloned into the standard E. coli strain ATCC 25922 to verify the reliability of these specific peaks. Results A total of 154 E. coli strains were categorized into three groups: 45 CREC strains, 58 extended-spectrum beta-lactamase (ESBL)-producing strains, and 51 non-CREC, non-ESBL strains. PCR amplification identified 12 resistance genes. The established ML model with RF algorithm exhibits excellent discriminative ability, achieving an AUC of 0.993 and an AP of 0.997. Four specific peaks ( m/z 5132, m/z 5209, m/z 6350, and m/z 6371) of NDM were identified using the cooperative matrix. In contrast, the traditional CHCA matrix revealed no specific peaks. Furthermore, the specific peaks at m/z 5132 and m/z 5209 were detected in the MALDI-TOF MS spectra of the recombinant E. coli strain ATCC 25922-PZY01/NDM, which directly correlated with the expression of the NDM gene. Conclusion The integration of MALDI-TOF MS with ML techniques, facilitated by the cooperative matrix approach, has enabled the swift and precise identification of NDM-producing CREC. This advancement significantly enhances the effectiveness of clinical management and the control of hospital-acquired infections.
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Frontiers in Microbiology
·
2022
·
IF 6.064
Guo Penghao,Chen Jianlong,Tan Yiwei,Xia Li,Zhang Weizheng,Li Xiaojie,Jiang Yujie,Li Ruiying,Chen Chunmei,Liao Kang,Peng Yaqin
Background: Fusarium species are opportunistic causative agents of superficial and disseminated human infections. Fast and accurate identification and targeted antifungal therapy give help to improve the patients’ prognosis.Objectives: This study aimed to evaluate the effectiveness of matrix-assisted laser desorption ionisation time of flight mass spectrometry (MALDI-TOF MS) for Fusarium identification, and investigate the epidemiology and antifungal susceptibility profiles of clinical Fusarium isolates in Southern China.Methods: There were 95 clinical Fusarium isolates identified by DNA sequencing of translation elongation factor 1-alpha (TEF1α) and MALDI-TOF MS, respectively. Antifungal susceptibility testing of isolates was performed by broth microdilution according to the CLSI approved standard M38-A3 document.Results: Seven species complexes (SC) with 17 Fusarium species were identified. The most prevalent SC was the F. solani SC (70.5%, 67/95), followed by the F. fujikuroi SC (16.8%, 16/95). F. keratoplasticum within the F. solani SC was the most prevalent species (32.6%, 31/95). There were 91.6% (87/95) of isolates identified by MALDI-TOF MS at the SC level. In most of species, amphotericin B and voriconazole showed lower MICs compared to itraconazole and terbinafine. The F. solani SC showed higher MICs to these antifungal agents compared to the other SCs. There were 10.5% (10/95) of strains with high MICs for amphotericin B (≥8 μg/ml), terbinafine (≥32 μg/ml) and itraconazole (≥32 μg/ml) simultaneously, mostly focusing on F. keratoplasticum (9/10).Conclusion: MALDI-TOF MS exhibited good performance on the identification of Fusarium strains at the SC level. The F. solani SC was the most prevalent clinical SC in Southern China. The MICs varied significantly among different species or SCs to different antifungal agents.
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ANALYTICAL AND BIOANALYTICAL CHEMISTRY
·
2023
·Vol. 415
·期 14
·2775-2780
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IF 4.3
Jin Shanxia,Li Yaqin,Yang Liuquan,Li Wei,Zhou Ping
The affinity interactions between boronic acids and sugars have been successfully exploited in many fields, such as the sensing of saccharides, selective enrichment of glycoconjugates, and drug delivery. However, despite multiple techniques having been adopted to investigate the reaction of boronate affinity, the pathway of boronate esters formation under aqueous conditions remains controversial. We report a MALDI-MS approach to investigate the interactions between phenylboronic acid and monosaccharides in neutral aqueous solution by using polylevodopa as an innovative substrate instead of conventional matrix. A series of unusual tri-benzeneboronic esters were then revealed. The mass spectrometry data indicate that they bear a dibenzenepyroboronate cyclic ester moiety with seven-membered ring or eight-membered ring. With the aid of theoretical computations, their most likely geometrical structures are elucidated, and these tri-benzeneboronic esters are proposed to be formed via a boroxine binding monosaccharide pathway. This work provides more insight into the mechanism of boronate affinity interaction between boronic acid and sugars and proves the developed MALDI-MS approach is promising for studying interactions between small molecules. Graphical Abstract
研究领域:
分析化学
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理论化学
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糖化学
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ANALYTICA CHIMICA ACTA
·
2018
·
IF 5.123
Ying Zhang,Bo Wang,Wanjun Jin,Yanan Wen,Lijing Nan,Mingming Yang,Rendan Liu,Yuyang Zhu,Chengjian Wang,Linjuan Huang,Xuezheng Song,Zhongfu Wang
Sensitive glycomics analysis by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) is of great importance but significantly hampered by their low ionization efficiency and labile sialic acid moieties. Chemical derivatization offers a viable way to improve both the ionization efficiency and analytical sensitivity of the glycans in MS analysis by altering their hydrophobicity or charge property. Here we employed Girard's reagent T (GT) for on-target derivatization (GTOD) of reducing glycan under mild acid condition to form stable hydrazones at room temperature , allowing rapid and sensitive identification of neutral and sialylated glycans in positive-ion mode as only permanently positive charged molecular ions without multiple ion adducts by MALDI-TOF-MS. The MS signal intensities of lactose, sialylated N-glycans derived from bovine fetuin and neutral N-glycans derived from RNaseB and ovalbumin were boosted by 7.44, 9.13, 12.96 and 13.47 folds on average (n = 3), respectively. More importantly, after GTOD strategy, unwanted desialylation of sialylated glycans during MS was suppressed. The detection limit of the assay is desirable since the nanogram of N-glycans derived from 0.16 μg ovalbumin could be detected. The assay demonstrated good stability (RSD≤2.95%, within 10 days), reliable reproducibility (RSD = 2.96%, n = 7) and a desirable linear dynamic range from 78 nmol/mL to 10 μmol/mL. The strategy has been successfully applied to MS analysis of reducing glycans from human milks, neutral and sialylated O-, N-glycans from glycoproteins , and reducing glycans derived from glycosphingolipids , presenting neater [M] + signals which allow detection of more low-abundance glycans and assignation of Neu5Ac vs. Neu5Gc or fucose vs. hexose in glycans due to the absence of the ambiguous interpretation from multiple peaks (ion adducts [M+Na] + and [M+K] + ). Moreover, the GTOD assay prevents desialylation during MALDI-TOF-MS profiling and enables distinct linkage-specific characterization of terminal sialic acids of N-glycans derived from human serum protein when combines with an esterification .
研究领域:
生物化学
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分析化学
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医学
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PubMed
高影响因子
Food Bioscience
·
2024
·
IF 4.8
Yihong Xu,Winnie C. Soko,Yunxing Li,Hongyan Bi
In the present study, magnetic beads (MBs) conjugated with multiple monoclonal antibodies were constructed for capturing bacteria from food matrices. Escherichia coli ( E. coli ), Klebsiella pneumoniae , and Vibrio parahaemolyticus were taken as model bacteria, and multi-antibodies functionalized MBs (multi-Abs@MBs) were utilized for their capture. The excellency of the specificity and reproducibility of the present protocol was demonstrated by capturing E. coli , K. pneumoniae , and V . parahaemolyticus from water medium, and blood clam ( Scapharca subcrenata ) protein extracts, respectively. The presence of 10 CFU/mL of bacteria is still detectable. The prepared multi-antibodies functionalized MBs remain effective for bacterial capture after 1 day of storage at 4 °C. The multi-Abs@MBs successfully sensed E. coli and V . parahaemolyticus from fresh blood clam muscle tissue sample. The present protocol is expected to be applied in bacterial analysis of protein foods to guide their safe consumption.
研究领域:
食品科学
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微生物学
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分析化学
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ANALYST
·
2025
·Vol. 150
·期 4
·650-660
·
IF 3.3
Baoying Zhang,Shengjie Yang,Xuyuan Chao,Lu Qi,Weijie Qin,Haihong Bai,Xinghe Wang
Protein N-glycosylation, as one of the most crucial post-translational modifications, plays a significant role in various biological processes. The structural alterations of N-glycans are closely associated with the onset and progression of numerous diseases. Therefore, the precise and specific identification of disease-related N-glycans in complex biological samples is invaluable for understanding their involvement in physiological and pathological processes, as well as for discovering clinical diagnostic biomarkers. However, protein N-glycosylation suffers from microscopic heterogeneity and low abundance in biological systems, leading to N-glycopeptide signals being overshadowed by those of their non-glycosylated counterparts during mass spectrometry (MS) analysis. Consequently, there is an urgent demand for the development of novel methods for highly efficient N-glycan enrichment. In this study, we introduced a novel hydrophilic nanomaterial, nitrogen-modified reduced graphene oxide (N-rGO), tailored for this purpose, which was formed by a condensation reaction between the amino groups of rGO and the carboxyl groups of Fmoc-Photo-Linker. Compared to other enrichment materials, N-rGO not only supports efficient N-glycans enrichment via hydrophilic interaction (HILIC), but also serves as an effective matrix for direct MALDI-TOF MS analysis combined with DHB, thereby avoiding sample loss during N-glycans release. 76 and 81 serum N-glycans were obtained from 3 healthy individuals and 3 hepatocellular carcinoma (HCC) patients. Notably, relative quantification of serum N-glycans between 20 patients and 20 healthy controls showed significant expression differences, such as H5N4F1S1, H6N5F1, H5N4S2, H5N4F2S1 and H5N5F1S1, indicating the potential of N-rGO for biomarker discovery.
研究领域:
生物化学
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医学诊断
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分子生物学
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ACS Omega
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2020
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IF 2.87
Yumeng Yang,Dan Gao,Rui Qian,Yuyang Jiang
Matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) using conventional organic matrices for detection of small molecules has some limitations, such as heterogeneous analyte/matrix co-crystals, as well as interference of matrices in the low-molecular-weight range. In this work, a zeolite framework nanomaterial, TS-1, was applied as a MALDI matrix for the analysis of small molecules by MALDI-MS for the first time. To improve the signal intensity and reproducibility, TS-1 was modified with polydopamine (TS-1@PDA). Using TS-1@PDA as a matrix, organic substances in the low-molecular-weight region such as amino acids, nucleosides, peptides, oligosaccharides, and fatty acids can be detected by MALDI-MS in positive ion mode. Compared with traditional organic matrices like 2,5-dihydroxybenzoic acid (2,5-DHB) and α-cyano-4-hydroxycinnamic acid (CHCA), TS-1@PDA has the advantages including the formation of uniform sample spots, small background interference at low molecular weight, and better salt tolerance. Furthermore, this matrix was employed for the analysis of endogenous glucose in urine samples, and the level of glucose was quantified with a linear range of 0–10 mM (R2 > 0.98). The results demonstrated that TS-1@PDA has the potential to be used as an effective MALDI matrix for the analysis of small molecules in biological samples with excellent reproducibility and moderate sensitivity.
研究领域:
分析化学
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生物医学
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质谱技术
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高影响因子
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
·
2021
·Vol. 68
·期 10
·1965-1971
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IF 1.967
Yanan Zhao,Ying-ai Piao,Long-yue Meng,Biao Jin
Biomass-derived carbon dots were synthesized by a hydrothermal method using the flavonoid luteolin, 3′,4′,5,7-tetrahydroxyflavone, as a carbon source. The reaction conditions were optimized with regard to reaction temperature, reaction time, and amount of luteolin. N-doped luteolin-based carbon dots (N-CDs) were obtained through the addition of ethylenediamine and used as MALDI-TOF matrix for the analysis of amino acids and other low molecular-weight molecules. Compared with N-free CDs, the matrix application of N-CDs displayed less background interferences, high sensitivity, superior efficiency, and good repeatability. Pyridinic N atoms were identified as the major component of the nitrogen dopants in N-CDs. The lone electron pair of this N species, which is located in an sp 2 -orbital perpendicular to the aromatic system, and the π-conjugated structure contributed to an enhanced desorption/ionization efficiency. Furthermore, the qualitative detection of amino acids in serum samples was accomplished by MALDI-TOF MS using the N-CD matrix. This new type of MALDI-TOF matrix demonstrated its potential in the analysis of small molecules present in chemical, environmental, or biological samples.
研究领域:
分析化学
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材料科学
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生物化学
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高影响因子
TALANTA
·
2024
·
IF 5.6
Xiaoming Chen,Shuo Cao,Liye Tao,Runlan Yan,Sheng Cao,Jingwen Hao,Yuelin Yi,Chunyan Luan,Jianmin Wu,Yue Gao,Xiao Liang
Lipidomics has demonstrated significant potential for disease diagnosis and prediction. The development and optimization of a robust mass spectrometry (MS) platform for lipidome analysis is critically important, as it can facilitate biomarker discovery, cohort testing, and performance evaluation in clinical lipidomics studies. In this work, we developed a high-throughput and reliable platform, termed MS Lab on a Chip ( MS LOC ), which integrates the MetArray chip, an automated lipidomics pretreatment protocol, and the reflectron matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) instrument. The MetArray chip, produced through a mass production process, exhibited exceptional stability as an MS substrate. The integration of automated lipid pretreatment and MS detection processes ensures high throughput, stability and efficiency during sample preparation. The analysis of various lipid standards and different types of biological samples enabled comprehensive investigation of lipid features and annotation using the MS LOC . Furthermore, a small cohort study, consisting of hepatocellular carcinoma (HCC) and non-HCC groups, was conducted on this platform, providing preliminary validation of its performance and suggesting that this platform offers a comprehensive protocol for clinical lipidomics testing.
研究领域:
分析化学
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临床研究
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质谱技术
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组学技术
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RSC Advances
·
2022
·Vol. 12
·期 24
·15215-15221
·
IF 4.036
Xiu-Ying Chen,Yong-hui Wang,Shu-Yue Ren,Shuang Li,Yu Wang,Kang Qin,Sen Li,Dian-Peng Han,Yuan Peng,Tie Han,Zhi-Xian Gao,Bao-Xiang Gao,Huan-ying Zhou
Traditional matrices for matrix-assisted laser desorption/ionization mass spectrometry (MALDI-TOF MS) are usually crystalline small molecules. The heterogeneous co-crystallization of the analyte and the matrix creates a sweet spot effect and reduces point-to-point reproducibility. In this study, an amorphous poly-N-vinylcarbazole polymer (PVK) was studied as a novel matrix for MALDI-TOF MS to detect various low molecular weight compounds (LMWCs) in the negative ion mode. The PVK achieved excellent matrix action and showed high sensitivity, good salt tolerance, and reproducibility. These results significantly broaden the design rules for new and efficient polymeric MALDI matrices.
研究领域:
分析化学
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质谱学
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高分子科学
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PubMed
高影响因子
Foods
·
2023
·Vol. 12
·期 7
·1519
·
IF 5.2
Yan Lu,Jinxia Dai,Sen Zhang,Junqin Qiao,Hongzhen Lian,Li Mao
It is widely acknowledged that casein is an important allergenic protein in milk which may cause danger to customers. The identification and confirmation of caseins through mass spectrometry requires the selection of suitable characteristic peptides. In this study, by means of matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF MS), the three most representative specific peptides of caseins in cow milk were screened out with mass-to-charge ratios (m/z) of 830, 1195, and 1759, respectively. By comparing 2,5-dihydroxybenzoic acid (DHB) andα-cyano-4-hydroxycinnamic acid (CHCA) MALDI matrices, it was found that DHB was more suitable for peptide detection with the limits of detection (LODs) of 0.1 mg/L forα,β-casein. Furthermore, on the basis of verifying the characteristic peptides of casein from cow milk, this protocol was applied to goat milk authentication. Cow milk addition in goat milk was investigated by using the screened specific peptides. The results showed that the adulteration could be identified when the proportion of cow milk was 1% or more. When applied to inspect adulteration in five brands of commercial goat milk, specific peptides of bovine casein were detected in four of them. The method has the advantages of strong reliability, high throughput, simple preprocessing, and fast speed, which can provide powerful help for prewarning dairy allergen.Keywords:goat milk authentication;allergen;bovine casein;specific peptide;matrix-assisted laser desorption ionization time-of-flight mass spectrometry
研究领域:
食品科学
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分析化学
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质谱分析
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PubMed
高影响因子
危险品化学品经营许可证（带存储）