Mass Spectrometry Reviews最新文献

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Deep Learning Methods for De Novo Peptide Sequencing 全新肽段测序的深度学习方法。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-04-08 Epub Date: 2024-11-29 DOI: 10.1002/mas.21919
Wout Bittremieux, Varun Ananth, William E. Fondrie, Carlo Melendez, Marina Pominova, Justin Sanders, Bo Wen, Melih Yilmaz, William S. Noble
{"title":"Deep Learning Methods for De Novo Peptide Sequencing","authors":"Wout Bittremieux,&nbsp;Varun Ananth,&nbsp;William E. Fondrie,&nbsp;Carlo Melendez,&nbsp;Marina Pominova,&nbsp;Justin Sanders,&nbsp;Bo Wen,&nbsp;Melih Yilmaz,&nbsp;William S. Noble","doi":"10.1002/mas.21919","DOIUrl":"10.1002/mas.21919","url":null,"abstract":"<div>\u0000 \u0000 <p>Protein tandem mass spectrometry data are most often interpreted by matching observed mass spectra to a protein database derived from the reference genome of the sample being analyzed. In many application domains, however, a relevant protein database is unavailable or incomplete, and in such settings <i>de novo</i> sequencing is required. Since the introduction of the DeepNovo algorithm in 2017, the field of <i>de novo</i> sequencing has been dominated by deep learning methods, which use large amounts of labeled mass spectrometry data to train multi-layer neural networks to translate from observed mass spectra to corresponding peptide sequences. Here, we describe these deep learning methods, outline procedures for evaluating their performance, and discuss the challenges in the field, both in terms of methods development and evaluation protocols.</p>\u0000 </div>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 3","pages":"507-526"},"PeriodicalIF":6.6,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142749501","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
Protein glycosylation in lung cancer from a mass spectrometry perspective 从质谱分析角度看肺癌中的蛋白质糖基化
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-04-08 Epub Date: 2024-04-04 DOI: 10.1002/mas.21882
Mirjam Balbisi, Simon Sugár, Lilla Turiák
{"title":"Protein glycosylation in lung cancer from a mass spectrometry perspective","authors":"Mirjam Balbisi,&nbsp;Simon Sugár,&nbsp;Lilla Turiák","doi":"10.1002/mas.21882","DOIUrl":"10.1002/mas.21882","url":null,"abstract":"<p>Lung cancer is a severe disease for which better diagnostic and therapeutic approaches are urgently needed. Increasing evidence implies that aberrant protein glycosylation plays a crucial role in the pathogenesis and progression of lung cancer. Differences in glycosylation patterns have been previously observed between healthy and cancerous samples as well as between different lung cancer subtypes, which suggests untapped diagnostic potential. In addition, understanding the changes mediated by glycosylation may shed light on possible novel therapeutic targets and personalized treatment strategies for lung cancer patients. Mass spectrometry based glycomics and glycoproteomics have emerged as powerful tools for in-depth characterization of changes in protein glycosylation, providing valuable insights into the molecular basis of lung cancer. This paper reviews the literature on the analysis of protein glycosylation in lung cancer using mass spectrometry, which is dominated by manuscripts published over the past 5 years. Studies analyzing <i>N</i>-glycosylation, <i>O</i>-glycosylation, and glycosaminoglycan patterns in tissue, serum, plasma, and rare biological samples of lung cancer patients are highlighted. The current knowledge on the potential utility of glycan and glycoprotein biomarkers is also discussed.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 3","pages":"455-475"},"PeriodicalIF":6.6,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21882","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140584383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Progress in Tandem Mass Spectrometry Data Analysis for Nucleic Acids 核酸串联质谱数据分析研究进展。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-04-08 Epub Date: 2025-01-10 DOI: 10.1002/mas.21923
Michael B. Lanzillotti, Jennifer S. Brodbelt
{"title":"Progress in Tandem Mass Spectrometry Data Analysis for Nucleic Acids","authors":"Michael B. Lanzillotti,&nbsp;Jennifer S. Brodbelt","doi":"10.1002/mas.21923","DOIUrl":"10.1002/mas.21923","url":null,"abstract":"<div>\u0000 \u0000 <p>Mass spectrometry (MS) has become a critical tool in the characterization of covalently modified nucleic acids. Well-developed bottom-up approaches, where nucleic acids are digested with an endonuclease and the resulting oligonucleotides are separated before MS and MS/MS analysis, provide substantial insight into modified nucleotides in biological and synthetic nucleic. Top-down MS presents an alternative approach where the entire nucleic acid molecule is introduced to the mass spectrometer intact and then fragmented by MS/MS. Current top-down MS workflows have incorporated automated, on-line HPLC workflows to enable rapid desalting of nucleic acid samples for facile mass analysis without complication from adduction. Furthermore, optimization of MS/MS parameters utilizing collision, electron, or photon-based activation methods have enabled effective bond cleavage throughout the phosphodiester backbone while limiting secondary fragmentation, allowing characterization of progressively larger (~100 nt) nucleic acids and localization of covalent modifications. Development of software applications to perform automated identification of fragment ions has accelerated the broader adoption of mass spectrometry for analysis of nucleic acids. This review focuses on progress in tandem mass spectrometry for characterization of nucleic acids with particular emphasis on the software tools that have proven critical for advancing the field.</p>\u0000 </div>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 3","pages":"527-547"},"PeriodicalIF":6.6,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142963234","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
Ion Activation Methods for Top-Down Proteomics. 自顶向下蛋白质组学的离子激活方法。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-03-31 DOI: 10.1002/mas.70023
Jada N Walker, Jennifer S Brodbelt
{"title":"Ion Activation Methods for Top-Down Proteomics.","authors":"Jada N Walker, Jennifer S Brodbelt","doi":"10.1002/mas.70023","DOIUrl":"https://doi.org/10.1002/mas.70023","url":null,"abstract":"<p><p>Mass spectrometry (MS) has emerged as a premier method used to characterize the sequences of proteins. Top-down proteomics aims to capture the multiple sources of structural diversity reflected in proteins, such as those that arise from alternative RNA splicing events or the addition of post-translational modifications. Tandem MS (i.e., MS/MS) represents a critical component of a top-down proteomics experiment, as the resulting fragmentation patterns unveil various structural features associated with protein function. This review spotlights recent developments and applications of ion activation methods used to decipher the structural properties of intact proteins, including collisional activation and those based on the use of electrons and photons. The analysis of fragment ions generated by these MS/MS methods are also discussed, along with an outlook on future developments in the field related to instrumentation and burgeoning approaches to top-down proteomics, such as single-cell methods.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":" ","pages":""},"PeriodicalIF":6.6,"publicationDate":"2026-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147589016","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
Ion Chemistry in Dielectric Barrier Discharge Ionization: Recent Advances in Direct Gas Phase Analyses 介质势垒放电离子化中的离子化学:直接气相分析的最新进展。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-02-03 Epub Date: 2024-11-06 DOI: 10.1002/mas.21914
Kseniya Dryahina, Miroslav Polášek, Juraj Jašík, Kristýna Sovová, Patrik Španěl
{"title":"Ion Chemistry in Dielectric Barrier Discharge Ionization: Recent Advances in Direct Gas Phase Analyses","authors":"Kseniya Dryahina,&nbsp;Miroslav Polášek,&nbsp;Juraj Jašík,&nbsp;Kristýna Sovová,&nbsp;Patrik Španěl","doi":"10.1002/mas.21914","DOIUrl":"10.1002/mas.21914","url":null,"abstract":"<p>Dielectric barrier discharge ionization (DBDI) sources, employing low-temperature plasma, have emerged as sensitive and efficient ionization tools with various atmospheric pressure ionization processes. In this review, we summarize a historical overview of the development of DBDI, highlighting key principles of gas-phase ion chemistry and the mechanisms underlying the ionization processes within the DBDI source. These processes start with the formation of reagent ions or metastable atoms from the discharge gas, which depends on the nature of the gas (helium, nitrogen, air) and on the presence of water vapor or other compounds or dopants. The processes of ionizing the analyte molecules are summarized, including Penning ionization, electron transfer, proton transfer and ligand switching from secondary hydrated hydronium ions. Presently, the DBDI-MS methods face a challenge in the accurate quantification of gaseous analytes, limiting its broader application in biological, environmental, and medical realms where relative quantification using standards is inherently complex for gaseous matrices. Finally, we propose future avenues of research to enhance the analytical capabilities of DBDI-MS.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 2","pages":"193-217"},"PeriodicalIF":6.6,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12866379/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142589942","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bubble-Assisted Sample Preparation Techniques for Mass Spectrometry 用于质谱仪的气泡辅助样品制备技术。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-02-03 Epub Date: 2024-11-13 DOI: 10.1002/mas.21913
Decibel P. Elpa, Pawel L. Urban
{"title":"Bubble-Assisted Sample Preparation Techniques for Mass Spectrometry","authors":"Decibel P. Elpa,&nbsp;Pawel L. Urban","doi":"10.1002/mas.21913","DOIUrl":"10.1002/mas.21913","url":null,"abstract":"<div>\u0000 \u0000 <p>This review delves into the efficacy of utilizing bubbles to extract analytes into the gas phase, offering a faster and greener alternative to traditional sample preparation methods for mass spectrometry. Generating numerous bubbles in liquids rapidly transfers volatile and surface-active species to the gas phase. Recently, effervescence has found application in chemical laboratories for swiftly extracting volatile organic compounds, facilitating instantaneous analysis. In the so-called fizzy extraction, liquid matrices are pressurized with gas and then subjected to sudden decompression to induce effervescence. Alternatively, specifically designed effervescent tablets are introduced into the liquid samples. In situ bubble generation has also enhanced dispersion of extractant in microextraction techniques. Furthermore, droplets from bursting bubbles are collected to analyze non-volatile species. Various methods exist to induce bubbling for sample preparation. The polydispersity of generated bubbles and the limited control of bubble size pose critical challenges in the stability of the bubble–liquid interface and the ability to quantify analytes using bubble-based sample preparation techniques. This review covers different bubble-assisted sample preparation methods and gives practical guidance on their implementation in mass spectrometry workflows. Traditional, offline, and online approaches for sample preparation relying on bubbles are discussed. Unconventional bubbling techniques for sample preparation are also covered.</p>\u0000 </div>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 2","pages":"167-192"},"PeriodicalIF":6.6,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142613263","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
Reminiscence on Renato Zenobi 雷纳托·芝诺比的回忆。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-02-03 Epub Date: 2025-09-25 DOI: 10.1002/mas.70010
Nicholas E. Manicke
{"title":"Reminiscence on Renato Zenobi","authors":"Nicholas E. Manicke","doi":"10.1002/mas.70010","DOIUrl":"10.1002/mas.70010","url":null,"abstract":"","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 2","pages":"156-157"},"PeriodicalIF":6.6,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145147157","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
Direct Ambient Mass Spectrometry for Food, Beverage, and Agricultural Sample Analysis and Research 直接环境质谱法用于食品,饮料和农业样品分析和研究。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-02-03 Epub Date: 2025-07-02 DOI: 10.1002/mas.70001
Leigh M. Schmidtke, Liang Jiang, Morphy Dumlao, William A. Donald
{"title":"Direct Ambient Mass Spectrometry for Food, Beverage, and Agricultural Sample Analysis and Research","authors":"Leigh M. Schmidtke,&nbsp;Liang Jiang,&nbsp;Morphy Dumlao,&nbsp;William A. Donald","doi":"10.1002/mas.70001","DOIUrl":"10.1002/mas.70001","url":null,"abstract":"<p>Ambient and direct mass spectrometry (MS) methods are becoming increasingly used for the rapid analysis of food, beverage and agricultural samples. Novel ionization approaches combined with targeted, or untargeted workflows provide analytical outcomes within a greatly reduced time period compared to traditional separation science coupled with MS detection. This review will provide an overview of atmospheric pressure ionization MS based techniques for analysis of food, beverage and agricultural samples, with an emphasis on direct and rapid analysis including ambient ionization. The review will be completed through presentation of relevant examples of the use of ambient ionization techniques for food and beverage analysis along with the authors perspectives for future challenges relevant to the field.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 2","pages":"429-452"},"PeriodicalIF":6.6,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12866390/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144537596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Practical Applications of Secondary/Extractive Electrospray Ionization (SESI): A Versatile Tool for Real-Time Chemical Analysis 二次/萃取电喷雾电离(SESI)的实际应用:实时化学分析的通用工具。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-02-03 Epub Date: 2025-05-19 DOI: 10.1002/mas.21938
Xin Luo, Huiling Wang, Xiaolan Hu, Sasho Gligorovski, Xue Li, Pablo Sinues
{"title":"Practical Applications of Secondary/Extractive Electrospray Ionization (SESI): A Versatile Tool for Real-Time Chemical Analysis","authors":"Xin Luo,&nbsp;Huiling Wang,&nbsp;Xiaolan Hu,&nbsp;Sasho Gligorovski,&nbsp;Xue Li,&nbsp;Pablo Sinues","doi":"10.1002/mas.21938","DOIUrl":"10.1002/mas.21938","url":null,"abstract":"<p>In the 1980s, researchers discovered the remarkable ability of electrospray plumes to effectively ionize gas-phase molecules via secondary ionization. Around 20 years later—coinciding with the ambient mass spectrometry revolution—secondary electrospray ionization (SESI) and extractive electrospray ionization (EESI) coupled to mass spectrometry were revisited and further developed to analyze complex mixtures of gas and aerosol samples in real-time yet with high sensitivity. During the past two decades, these mass spectrometric techniques have been applied across a broad range of applications, such as the detection of illicit drugs, environmental aerosol analysis, and a series of metabolomic studies through the analysis of volatiles emitted from living organisms. This review offers a comprehensive overview of the progress of SESI and EESI applications since their emergence. Finally, we discuss the opportunities, challenges, along with future directions of SESI and EESI techniques.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 2","pages":"392-428"},"PeriodicalIF":6.6,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12866386/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144092442","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent Advancements in the Characterization of D-Amino Acid and Isoaspartate Post-Translational Modifications D-Amino Acid 和 Isoaspartate 翻译后修饰表征的最新进展。
IF 6.6 2区 化学
Mass Spectrometry Reviews Pub Date : 2026-02-03 Epub Date: 2024-11-18 DOI: 10.1002/mas.21916
Samuel Okyem, Jonathan V. Sweedler
{"title":"Recent Advancements in the Characterization of D-Amino Acid and Isoaspartate Post-Translational Modifications","authors":"Samuel Okyem,&nbsp;Jonathan V. Sweedler","doi":"10.1002/mas.21916","DOIUrl":"10.1002/mas.21916","url":null,"abstract":"<p>One of the great triumphs of mass spectrometry-based peptide and protein characterization is the characterization of their modifications as most modifications have a characteristic mass shift. What happens when the modification does not change the mass of the peptide? Here, the characterization of several peptide and proteins modifications that do not involve a mass shift are highlighted. Protein and peptide synthesis on ribosomes involves L-amino acids; however, posttranslational modifications (PTMs) can convert these L-amino acids into their D-isomers. As another example, nonenzymatic PTM of aspartate leads to the formation of three different isomers, with isoaspartate being the most prevalent. Both modifications do not alter the mass of the peptide and yet can have profound impact on the physicochemical characteristics of the peptide. Several MS and ion mobility techniques are highlighted, as are other methods such as chromatography, enzymatic enrichment, and labeling. The challenges inherent to these analytical methods and prospective developments in bioinformatics and computational strategies are discussed for these zero-dalton PTMs.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"45 2","pages":"218-230"},"PeriodicalIF":6.6,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12085718/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142666172","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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