Analytical and Bioanalytical Chemistry最新文献

Comprehensive characterization of sulfur compounds in the diesel fraction using methylation/demethylation derived separation and GC × GC-MS/FID analysis.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-07 DOI: 10.1007/s00216-025-05860-w

Yifei Li, Yanfei Su, Zhengyu Chen, Jianxun Wu, Weilai Zhang, Chunming Xu, Quan Shi, Linzhou Zhang

{"title":"Comprehensive characterization of sulfur compounds in the diesel fraction using methylation/demethylation derived separation and GC × GC-MS/FID analysis.","authors":"Yifei Li, Yanfei Su, Zhengyu Chen, Jianxun Wu, Weilai Zhang, Chunming Xu, Quan Shi, Linzhou Zhang","doi":"10.1007/s00216-025-05860-w","DOIUrl":"https://doi.org/10.1007/s00216-025-05860-w","url":null,"abstract":"Comprehensive characterization of petroleum-derived sulfur compounds is crucial for researching and developing desulfurization catalysts, equipment, and processes. However, the complex composition and low concentration of sulfur compounds in oils make it challenging for molecular-level separation and characterization. In this work, sulfur compounds in the straight-run diesel fraction were selectively separated from the oil by the methylation/demethylation method, effectively yielding high-purity thiophenes and sulfides. Molecular-level compositional and structural characterization of sulfur compounds was accomplished through comprehensive two-dimensional gas chromatography (GC × GC) coupled with time-of-flight mass spectrometry. The separation significantly enhances the detection sensitivity for low-content sulfur compounds, thereby enabling a more comprehensive characterization of their molecular compositions and structures. Sulfur compounds with diverse skeletons and carbon numbers were tentatively characterized, including 1~3 cyclic sulfides, thiophenes, benzothiophenes, dihydrobenzothiophenes, dibenzothiophenes, tetrahydrodibenzothiophenes, phenanthrothiophenes, and benzonaphthothiophenes. Additionally, hundreds of individual sulfur compounds were characterized by mass spectrometry. Quantitative analysis for individual compounds and compound types was conducted using a flame ionization detector.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143794295","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-07 DOI: 10.1007/s00216-025-05855-7

Ying Zou, Manli Zhang, Dongdong Zhou, Chaoxian Chi, Fangling Wu, Chuan-Fan Ding

{"title":"Identification and characterization of chiral vitamin C using ion mobility and theoretical calculation.","authors":"Ying Zou, Manli Zhang, Dongdong Zhou, Chaoxian Chi, Fangling Wu, Chuan-Fan Ding","doi":"10.1007/s00216-025-05855-7","DOIUrl":"https://doi.org/10.1007/s00216-025-05855-7","url":null,"abstract":"Vitamin C (L-( +)-ascorbic acid, L-AA) is an essential micronutrient. Its diastereoisomer, D-(-)-isoascorbic acid (D-IAA), is only 5% as active as L-AA. Therefore, it is crucial to identify and characterize the diastereoisomers of ascorbic acid. In this work, a straightforward and direct method using ion mobility-mass spectrometry (IM-MS) was proposed to identify ascorbic acid isomers. Ternary complexes [L-AA + γ-CD + 2Cs-H]+ and [D-IAA + γ-CD + 2Cs-H]+, formed by non-covalent interaction of the isomer with the selective agent γ-CD and the metal ion Cs+, were separated in ion drift tubes with a resolution of Rp-p as high as 1.398. Meanwhile, comparisons with different CDs and metal ions revealed varying separation efficiencies. Theoretical calculations were conducted to determine the optimal conformations of [L-AA + γ-CD + 2Cs-H]+ and [D-IAA + γ-CD + 2Cs-H]+. Conformational analysis highlighted distinct structural differences at the molecular level, providing insight into the mobility separation mechanism of AA via the formation of ternary complexes with γ-CD and metal ions. Additionally, a quantitative analysis for the determination of chiral isomers was established with effective linearity and acceptable sensitivity. The method was successfully applied to assess L-AA/D-IAA content in pharmaceuticals and fruit samples.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143794297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dual DNA recycling amplification-assisted CRISPR/Cas12a cleavage for dual-channel ratiometric fluorescence biosensing of kanamycin antibiotic.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-04 DOI: 10.1007/s00216-025-05858-4

Shanshan Lai, Jiahong Guo, Xin Li, Xiaoxiao Yu, Guosong Lai

{"title":"Dual DNA recycling amplification-assisted CRISPR/Cas12a cleavage for dual-channel ratiometric fluorescence biosensing of kanamycin antibiotic.","authors":"Shanshan Lai, Jiahong Guo, Xin Li, Xiaoxiao Yu, Guosong Lai","doi":"10.1007/s00216-025-05858-4","DOIUrl":"https://doi.org/10.1007/s00216-025-05858-4","url":null,"abstract":"Fluorescence biosensors hold significant importance for testing antibiotic residues which seriously endanger public health. However, how to adopt appropriate strategies to address the false result disadvantage involved in traditional single-channel biosensors is still a great challenge. Meanwhile, too much attention focused on designing signal amplification strategies of biosensors unavoidably decreases their detection efficiency. Herein, we combined the designed dual DNA recycling amplification strategy with CRISPR/Cas12a-mediated dual-channel signal output mode to successfully develop a novel ratiometric fluorescence biosensor for testing kanamycin (Kana) residues in complex sample matrices. The first recycling was formed from an exonuclease-assisted aptamer recognition reaction, which also triggered another cascade DNA recycling to amplify the release of the Cas12a activator. With the non-discrimination cleavage of Cas12a to cause reverse fluorescence changes of copper nanoclusters and an AMAC-labeled signal DNA, the ratiometric signal transduction strategy was constructed. Under optimal conditions, this biosensor could be applied for ultrasensitive testing of Kana antibiotics in a five-order of magnitude wide linear range with a low detection limit of 17.2 fg mL-1. Benefiting from the self-correction function of the ratiometric signal transduction mode, it showed promising practicality in lake water and milk samples with the relative error less than 4.9% to the standard ELISA results. Besides CRISPR/Cas12a-based fluorescence output efficiency improvement, this biosensor also excluded the complicated manipulations and expensive instruments required in traditional methods. Therefore, it provides a good choice for expanding the application of fluorescence biosensing technology for practical analysis application.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A hemicyanine-based dual-responsive fluorescent sensor for the detection of lithium and cyanide ions: application in living cells.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-03 DOI: 10.1007/s00216-025-05852-w

Ziya Aydin, Mukaddes Keskinates, Esra Armagan, Bahar Yilmaz Altinok, Mevlut Bayrakci

{"title":"A hemicyanine-based dual-responsive fluorescent sensor for the detection of lithium and cyanide ions: application in living cells.","authors":"Ziya Aydin, Mukaddes Keskinates, Esra Armagan, Bahar Yilmaz Altinok, Mevlut Bayrakci","doi":"10.1007/s00216-025-05852-w","DOIUrl":"https://doi.org/10.1007/s00216-025-05852-w","url":null,"abstract":"A hemicyanine-based colorimetric and fluorometric sensor, 2-(2-(2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium iodide (MH-5), was developed and synthesized to detect Li+ and CN- ions in DMSO-PBS buffer solution (10 mM, pH 7.25, v/v 1:9). MH-5 displayed a rapid and highly selective colorimetric response to both Li+ and CN-, indicated by a distinct color change from pink to pale pink in the presence of Li+ and to colorless upon CN- detection, without interference from other cations or anions. The interaction mechanisms of MH-5 with Li+ and CN- ions were investigated using various analytical techniques, including 1H NMR, ESI-MS, FT-IR spectroscopy, and Job's plot analysis. These studies suggest that CN- is detected through nucleophilic addition to the indolium moiety of MH-5, while Li+ detection occurs via coordination with oxygen atoms in the crown ether structure. The fluorescence-based detection limits for Li+ and CN- were determined to be 0.150 µM and 0.154 µM, respectively. Additionally, MH-5 was evaluated in living cells, demonstrating effective cell penetration and reliable detection of Li+ and CN- ions for potential bio-imaging applications.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A comparative study of data-independent acquisition and data-dependent acquisition in liquid chromatography-mass spectrometry-based untargeted metabolomics analysis of Panax genus sample.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-02 DOI: 10.1007/s00216-025-05861-9

Yi Wu, Yang Wang

{"title":"A comparative study of data-independent acquisition and data-dependent acquisition in liquid chromatography-mass spectrometry-based untargeted metabolomics analysis of Panax genus sample.","authors":"Yi Wu, Yang Wang","doi":"10.1007/s00216-025-05861-9","DOIUrl":"https://doi.org/10.1007/s00216-025-05861-9","url":null,"abstract":"Data-independent acquisition (DIA) and data-dependent acquisition (DDA) are frequently employed in the execution of tandem mass spectrometry (MS2) analyses. This study explored the application of DIA (MSe) and DDA (fast-DDA) in liquid chromatography-mass spectrometry (LC-MS)-based untargeted metabolomics using Panax genus samples. MSe provided comprehensive sample information, extracting more ion peaks with better peak shape and increased scan points compared to fast-DDA. Features from MSe data are four times more than those from fast-DDA data. Fast-DDA, however, delivered high-quality MS2 data, enhancing compound annotation via the GNPS web tool. Database matches with fast-DDA data were nearly 35 times greater than those using MSe data. Therefore, combining MSe and fast-DDA can improve data analysis and metabolite annotation. An improved workflow integrating DIA and DDA was proposed, requiring additional QC sample injections for DDA analysis but eliminating the need for sample reprocessing and re-analysis, thus saving time and resources. The established workflow was applied to the Panax genus samples analysis to confirm its applicability. This study offers a deeper understanding of DIA and DDA, guiding the selection of data acquisition strategies for LC-MS-based untargeted metabolomics.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143762491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Polymer optical waveguide recoverable evanescent field nitroaromatics sensor based on D-π-A chromophore.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-12 DOI: 10.1007/s00216-025-05769-4

Jinkai Wang, Xiangzhuo Han, Yingzhe Wang, Zhanchen Cui, Zuosen Shi

{"title":"Polymer optical waveguide recoverable evanescent field nitroaromatics sensor based on D-π-A chromophore.","authors":"Jinkai Wang, Xiangzhuo Han, Yingzhe Wang, Zhanchen Cui, Zuosen Shi","doi":"10.1007/s00216-025-05769-4","DOIUrl":"10.1007/s00216-025-05769-4","url":null,"abstract":"Nitroaromatics are a significant concern due to their high explosiveness and potential for water pollution. Optical waveguide sensing technology has been employed in the detection of nitroaromatics, leveraging its advantages of affordability, high sensitivity, reusability, and effective detection results. However, most current optical waveguide sensors operate on the principle of cumulative refractive index change, which necessitates extended detection times. Additionally, although many optical waveguide sensors are reusable, they often require complex and time-consuming post-processing steps for device recovery, and their detection performance significantly degrades after multiple uses, thus limiting their practical applications. In this work, we developed an evanescent field optical waveguide sensor for the detection of nitroaromatics in water, utilizing polymeric optical waveguide materials and D-π-A chromophore molecule. We integrated the sensing molecules into the hydrophobic fluorosilicone resin upper cladding material and employed the evanescent field principle to monitor changes in the optical properties of the surface sensing molecules following their interaction with nitroaromatics. This approach not only prevented contaminant penetration into the sensor, allowing for rapid device recovery, but also facilitated quick quantitative detection. Our sensor demonstrates a detection time of approximately 5 s, a recovery time of about 3 s, and achieves a detection limit of 0.11 ppm, with performance remaining largely intact after several detection cycles.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1885-1895"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143397582","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Rapid metabolic profiling and authentication of Cordyceps using ambient ionization mass spectrometry and machine learning.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-11 DOI: 10.1007/s00216-025-05776-5

Wenbo Ma, Mengyang Song, Zhenyang Ji, Yiping Liu, Pengjun Na, Yuze Li, Zongxiu Nie

{"title":"Rapid metabolic profiling and authentication of Cordyceps using ambient ionization mass spectrometry and machine learning.","authors":"Wenbo Ma, Mengyang Song, Zhenyang Ji, Yiping Liu, Pengjun Na, Yuze Li, Zongxiu Nie","doi":"10.1007/s00216-025-05776-5","DOIUrl":"10.1007/s00216-025-05776-5","url":null,"abstract":"Cordyceps sinensis, a symbiotic organism formed between a fungus and an insect, is celebrated for its substantial medicinal benefits and economic significance in traditional Chinese medicine. However, the market for Cordyceps sinensis is rife with counterfeits, where numerous types of Cordyceps frequently pose as the genuine species, leading to financial losses for consumers. Here, we developed an ambient ionization mass spectrometry for the metabolic analysis of four kinds of Cordyceps. We tentatively identified a total of 81 metabolites, revealing significant differences between wild-type Cordyceps sinensis and its counterfeit counterparts. The heterogeneous distribution of metabolites was also examined. Notably, ergothioneine, an antioxidant, and its precursor hercynine were found to be more abundant in the stroma compared to other sections. Then, a neural network was employed to distinguish between different Cordyceps, achieving an average classification accuracy of 90.3% in blind tests. We demonstrate the potential for on-site detection of Cordyceps using a handheld nano-electrospray ionization source in conjunction with a miniature mass spectrometer, yielding mass spectral profiles comparable to those obtained with a benchtop system.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1935-1945"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143397587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Impact of NH₄⁺ on the catalytic activity of G-quadruplex/hemin DNAzyme for chemiluminescent sensing.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 DOI: 10.1007/s00216-025-05842-y

Xinyu Zhang, Chenxi Zhu, Yanying Wang, Yi Zhao, Honghu Tang, Xianming Li, Peng Wu

{"title":"Impact of NH4+ on the catalytic activity of G-quadruplex/hemin DNAzyme for chemiluminescent sensing.","authors":"Xinyu Zhang, Chenxi Zhu, Yanying Wang, Yi Zhao, Honghu Tang, Xianming Li, Peng Wu","doi":"10.1007/s00216-025-05842-y","DOIUrl":"https://doi.org/10.1007/s00216-025-05842-y","url":null,"abstract":"G-quadruplex/hemin DNAzyme, a versatile tool for biosensing, is challenged by its low peroxidase-mimic activities. The addition of NH4+ may offer an efficient approach to improve its activity. However, the detailed impact of NH4+ on its catalytic activity remains unclear, confusing the selection of appropriate DNAzymes for biosensing applications. Here, we conducted a comprehensive examination of the influence of NH4+ on G-quadruplex/hemin DNAzyme. The results revealed that all DNAzymes with different G-quadruplex topologies exhibited increased catalytic activities in the presence of NH4+ relative to K+, followed by the subsequent activity order: parallel > hybrid > antiparallel. Further investigations indicated that the increased catalytic activity can be ascribed to the increased stability of the G-quadruplex/hemin complex, elevated reaction velocity, and improved substrate affinity. Leveraging the significant disparity in enzymatic activity between parallel and antiparallel G-quadruplexes, an allosteric sensor based on the Pb2+-induced topological conformation was developed for sensitive detection of Pb2+ in the NH4+-boosted G-quadruplex/hemin DNAzyme system (LOD, 1.56 nM), indicating potential for practical applications. Our discovery improves the understanding of NH4+-boosted G-quadruplex/hemin DNAzyme and may facilitate the development of biosensors.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":""},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143750438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Glycan mixture analysis by kernel component composition for matrix factorization.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-12 DOI: 10.1007/s00216-025-05777-4

Pengyu Hong, Chaoshuang Xia, Yang Tang, Juan Wei, Cheng Lin

{"title":"Glycan mixture analysis by kernel component composition for matrix factorization.","authors":"Pengyu Hong, Chaoshuang Xia, Yang Tang, Juan Wei, Cheng Lin","doi":"10.1007/s00216-025-05777-4","DOIUrl":"10.1007/s00216-025-05777-4","url":null,"abstract":"A major challenge in structural glycomics is the presence of isomeric glycan structures, which may not be fully resolved by separation techniques such as liquid chromatography (LC) and ion mobility spectrometry (IMS). Tandem mass spectrometry (MS/MS) can be employed following on-line separation to distinguish unresolved features, as the temporal profiles of various fragment ions reflect different combinations of those from their respective precursor ions. However, traditional principal component analysis can produce negative signals that are unrealistic for real data, and classic non-negative matrix factorization (NMF) methods may result in factors that include contributions from multiple components. This paper introduces a new variation of NMF, termed kernel component composition (KCC), which enables users to impose domain-specific prior knowledge about the components as parametric kernels. These kernel parameters are then learned directly from the data. We developed a theoretically guaranteed algorithm based on proximal gradient descent to solve the optimization problem posed by KCC and derived detailed parameter update rules when using Gaussian kernels. The effectiveness of the KCC algorithm is demonstrated through simulation tests and its application to deconvoluting chemical datasets, including LC- and IM-MS/MS analysis of isomeric glycan mixtures.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1975-1984"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143405004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent advances in analytical methods and bioinformatic tools for quantitative glycomics.

IF 3.8 2区化学

Analytical and Bioanalytical Chemistry Pub Date : 2025-04-01 Epub Date: 2025-02-13 DOI: 10.1007/s00216-025-05778-3

Jihong Lu, Shuhong Guo, Qiannan Liu, Nafisa Tursumamat, Shengyang Liu, Shuye Wu, Heming Li, Juan Wei

{"title":"Recent advances in analytical methods and bioinformatic tools for quantitative glycomics.","authors":"Jihong Lu, Shuhong Guo, Qiannan Liu, Nafisa Tursumamat, Shengyang Liu, Shuye Wu, Heming Li, Juan Wei","doi":"10.1007/s00216-025-05778-3","DOIUrl":"10.1007/s00216-025-05778-3","url":null,"abstract":"The significance of glycans in various biological processes has been widely acknowledged. Quantitative glycomics is emerging as an important addition to clinical biomarker discovery, as it helps uncover disease-associated glycosylation patterns that are valuable for diagnosis, prognosis, and treatment evaluation. Compared to glycoproteomics and other established omics approaches, quantitative glycomics exhibits greater methodological diversity and it encounters various challenges in automation and standardization. Nonetheless, numerous advancements have been made in this field over the past 5 years. Here, we have reviewed recent progress in analytical methods and software to improve mass spectrometry-based quantitative glycomics primarily on N- and O-glycosylation. The discussion is organized into four sections: stable isotopic labeling, isobaric labeling, label-free, and fluorescence labeling strategies, with a particular emphasis on quantitative data interpretation. Novel derivatization methods and advanced techniques have been developed for high-throughput and highly sensitive glycan quantification with high accuracy. However, due to variations in glycan derivatization and difficulties in structural identification, most glycomic quantification methods are tailored to specific applications, and manual inspection is frequently necessary for precise data interpretation. Therefore, further advancements in glycan sample preparation, structural characterization, and automated data interpretation are essential to facilitate comprehensive and accurate quantification across a wide array of glycans.","PeriodicalId":462,"journal":{"name":"Analytical and Bioanalytical Chemistry","volume":" ","pages":"1947-1959"},"PeriodicalIF":3.8,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143412662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0