Journal of Mass Spectrometry最新文献_第3页

Emerging Contaminants in Raw and Cooked Marine Mussels: The QuEChERS Approach Combined With High-Performance Liquid Chromatography Coupled With Tandem Mass Spectrometry 生的和煮熟的海洋贻贝中新出现的污染物：QuEChERS方法结合高效液相色谱和串联质谱法。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-03-15 DOI: 10.1002/jms.70047

Julia Gambetta Vianna, Barbara Benedetti, Marina Di Carro, Emanuele Magi

{"title":"Emerging Contaminants in Raw and Cooked Marine Mussels: The QuEChERS Approach Combined With High-Performance Liquid Chromatography Coupled With Tandem Mass Spectrometry","authors":"Julia Gambetta Vianna, Barbara Benedetti, Marina Di Carro, Emanuele Magi","doi":"10.1002/jms.70047","DOIUrl":"10.1002/jms.70047","url":null,"abstract":"Mussel aquaculture has experienced substantial growth in recent decades, with global production exceeding 2.17 megatons (live weight), more than doubling since the early 21st century. Representing nearly 94% of the total mussel production, aquaculture plays a crucial economic and ecological role. Mussels accumulate xenobiotics through their filter-feeding behaviour, providing valuable insights into potential human exposure to the contaminants. However, the high lipid and protein content in their tissue can introduce analytical challenges, requiring rigorous clean-up procedures to mitigate matrix effects. Herein, we applied a QuEChERS-based extraction method coupled with high-performance liquid chromatography-tandem mass spectrometry (HPLC–MS/MS) to investigate the occurrence of emerging contaminants (ECs) in raw and boiled Mytilus galloprovincialis samples. Samples were collected from three aquaculture farms supplying mussels to fish markets in Liguria (Italy), aiming to provide a representative overview of contamination across different geographical sources. A total of 36 samples were analysed, detecting ECs in 26 samples. Caffeine was the most frequently detected contaminant, consistent with its widespread consumption. Additionally, UV filters were also commonly found in the samples, likely due to the sampling period at the end of summer, when sunscreen use is highest. This is the first study to investigate the impact of cooking on the concentrations of different classes of ECs in mussels, reflecting real consumption conditions. Box and whisker plots revealed consistently higher contaminant concentrations in boiled samples, suggesting that thermal processing may influence contaminant release. This study aims to offer insights into contaminants distribution and preliminary information for human exposure assessment of potential risks to human health.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 4","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12989316/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147463709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

On the Fate of Protonated Aldehydes in the Gas Phase 质子化醛在气相中的命运。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-03-09 DOI: 10.1002/jms.70043

Peace Emele, Paul M. Mayer

{"title":"On the Fate of Protonated Aldehydes in the Gas Phase","authors":"Peace Emele, Paul M. Mayer","doi":"10.1002/jms.70043","DOIUrl":"10.1002/jms.70043","url":null,"abstract":"Protonated aldehydes can be formed in the gas phase by proton-transfer reactions with atmospheric water. This work explored the unimolecular chemistry of protonated aldehydes in the gas phase using tandem mass spectrometry and theory, focusing on protonated propanal (1), butanal (2), isobutanal (3), crotonaldehyde (4), and methacrolein (5). An assessment of different density functional theory methods for calculating the minimum energy reaction pathway for water loss from 1 led to the use of the M06/6-311+G(d,p) level of theory. Results showed that the predominant reaction for 1-4 was the loss of H2O to form a (substituted) allyl cation, while 5 showed CO loss as the major pathway. The primary mechanism for H2O loss involved a combination of 1,2- and 1,4-H shift reactions forming water and a (methyl)allene ion. Minor neutral losses of CH3•, CH4, and CO were observed from 1, CH3•, C2H4, and CH2O from 3, CO and CH2O from 4, and H2O and CH2O from 5.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 4","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12971626/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147390189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Editorial: Artificial Intelligence in Ion Mobility Spectrometry-Mass Spectrometry for Omics Research 编辑：人工智能在离子迁移谱-质谱组学研究中的应用。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-26 DOI: 10.1002/jms.70039

Aivett Bilbao, Xueyun Zheng

引用次数: 0

Top–Down Proteomics of Skinned Human Muscle Fibers Reveals Proteoform-Resolved Fiber-to-Fiber Variability 自上而下的人类皮肤肌肉纤维蛋白质组学揭示了蛋白质形态分解纤维到纤维的可变性。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-22 DOI: 10.1002/jms.70040

Mallory C. Wilson, Zhan Gao, Justin R. Lopez, Yanlong Zhu, Szczepan S. Olszewski, Adam R. Konopka, Gary M. Diffee, Ying Ge

{"title":"Top–Down Proteomics of Skinned Human Muscle Fibers Reveals Proteoform-Resolved Fiber-to-Fiber Variability","authors":"Mallory C. Wilson, Zhan Gao, Justin R. Lopez, Yanlong Zhu, Szczepan S. Olszewski, Adam R. Konopka, Gary M. Diffee, Ying Ge","doi":"10.1002/jms.70040","DOIUrl":"10.1002/jms.70040","url":null,"abstract":"Human skeletal muscle is composed of highly heterogeneous single muscle fibers (multinucleated single cells) that are commonly classified as fast or slow fiber types, yet proteoform-resolved characterization of individual human muscle fibers remains lacking. Herein, we establish a high sensitivity top–down proteomics method for the analysis of single human muscle fibers (hSMFs). Specifically, we have optimized the surfactant-free extraction protocol for analysis of chemically permeabilized (“skinned”) hSMFs, a common preparation used to isolate the sarcomere prior to contractile measurements. This approach enables robust and reproducible proteoform-level coverage of key sarcomeric proteins from individual fibers using top–down LC–MS/MS. With this method, we identified extensive inter- and intra-donor fiber-to-fiber variability in isoform expression and proteoform abundance in hSMFs extracted from the heterogeneous vastus lateralis muscles. Together, these results demonstrate the capability of single-fiber top–down proteomics to resolve proteoform-level heterogeneity in human skeletal muscle and establish a methodological foundation for future studies towards elucidating skeletal muscle biology and understanding muscle-related diseases. Source data for this manuscript is available via the MassIVE repository at massive.ucsd.edu with identifier: MSV000100493.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12926692/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147271180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Advances in Mass Spectrometry Instrumentation and Methodology for Analysis of Alternative Protein Isoforms 蛋白质异构体质谱分析仪器与方法的研究进展。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-16 DOI: 10.1002/jms.70024

Micah D. Lehe, Raghad Almofeez, Erin D. Jeffery, Gloria M. Sheynkman

{"title":"Advances in Mass Spectrometry Instrumentation and Methodology for Analysis of Alternative Protein Isoforms","authors":"Micah D. Lehe, Raghad Almofeez, Erin D. Jeffery, Gloria M. Sheynkman","doi":"10.1002/jms.70024","DOIUrl":"10.1002/jms.70024","url":null,"abstract":"<div>\u0000 \u0000 Proteoforms represent the many final protein products that can be generated by a protein-coding gene. A key source of proteomic variation is alternative splicing (AS), with at least 90% of human genes undergoing AS to cause protein sequence alterations that impact protein structure and function. Therefore, detection and characterization of the protein isoforms generated by splicing is critical to a complete understanding of the effects of splicing on human phenotype and disease. Advancements in the power and throughput of mass spectrometry (MS) instrumentation over the past decade, coupled with growing interest in splicing among the proteomics community, are driving a new wave of MS utilization for protein isoform analysis. In this review, we outline recent innovations in MS instruments and the new acquisition strategies they support, sample preparation protocols, and integrative bioinformatics pipelines that have enabled deeper sampling of the alternative proteome. We highlight research from the field utilizing bottom-up and top-down MS as well as discovery and targeted acquisition methods, outlining the isoform coverage and advantages offered by each approach. Based on the evolution of the field, splicing continues to garner greater attention within the context of proteoform diversity.\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146202067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Investigation of the Protective Effect of Stemona Alkaloids on Acute Lung Injury via LC–MS/MS-Based Sphingolipid Metabolomic Profiling 基于LC-MS/ ms的鞘脂代谢组学分析研究Stemona生物碱对急性肺损伤的保护作用。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-16 DOI: 10.1002/jms.70041

Hang Ma, Yao Qin, Chang Su, Chen Zhang

{"title":"Investigation of the Protective Effect of Stemona Alkaloids on Acute Lung Injury via LC–MS/MS-Based Sphingolipid Metabolomic Profiling","authors":"Hang Ma, Yao Qin, Chang Su, Chen Zhang","doi":"10.1002/jms.70041","DOIUrl":"10.1002/jms.70041","url":null,"abstract":"<div>\u0000 \u0000 The dried roots of S. tuberosa (known as “Baibu” in traditional Chinese medicine) have long been used for the treatment of pulmonary infections. Alkaloids are recognized as the principal bioactive constituents underlying their therapeutic effects. In this study, the alkaloids of S. tuberosa were annotated based on the UHPLC–MS/MS and an acute lung injury (ALI) model was established in mice by intratracheal instillation of LPS to evaluate the protective efficacy of Stemona alkaloid extracts and to explore their regulatory role in sphingolipid metabolism. Histopathological evaluation and ELISA assays demonstrated that the extract markedly alleviated pulmonary edema, reduced inflammatory cell infiltration, and decreased TNF-α, IL-6, IL-1β, MPO, and ROS levels. UHPLC–MS/MS-based sphingolipidomics analysis identified significant alterations in ceramide (Cer), sphingomyelin (SM), and lactosylceramide (LacCer) in the model group, all of which were reversed after alkaloid treatment. These findings suggest that Stemona alkaloids exert protective effects against LPS-induced ALI and restore sphingolipid homeostasis, thereby providing mechanistic insight into their traditional clinical efficacy.\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146207257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Data-Independent Acquisition Enhancement of a Competitive Activity-Based Protein Profiling Platform for Kinase Inhibitor Screening 基于竞争活性的激酶抑制剂筛选蛋白分析平台的数据独立获取增强。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-16 DOI: 10.1002/jms.70038

Ravi Tharakan, Yanyan Qu, Michele Ceribelli, Patrick J. Morris, Yuhong Fang, Craig J. Thomas, Christopher A. LeClair, Dingyin Tao

{"title":"Data-Independent Acquisition Enhancement of a Competitive Activity-Based Protein Profiling Platform for Kinase Inhibitor Screening","authors":"Ravi Tharakan, Yanyan Qu, Michele Ceribelli, Patrick J. Morris, Yuhong Fang, Craig J. Thomas, Christopher A. LeClair, Dingyin Tao","doi":"10.1002/jms.70038","DOIUrl":"10.1002/jms.70038","url":null,"abstract":"Kinase inhibitors represent a vital class of therapeutic agents widely used in cancer research, immunology, and other disease areas. Mass spectrometry (MS) employing specially designed small-molecule kinase-binding probes has become an essential strategy for identifying novel kinase drug targets. While traditional MS approaches often rely on targeted proteomics (e.g., multiple reaction monitoring [MRM]) or data-dependent acquisition (DDA), data-independent acquisition (DIA) offers broader and more reproducible quantification, especially for low-abundance peptides. In this study, we systematically developed an activity-based protein profiling (ABPP) platform leveraging DIA, through integrated in-house informatics tools for data filtering and motif analysis, to provide an effective kinase profiling workflow. Compared to DDA, the DIA approach yielded more than a 100% increase in identified biotinylated peptides and over 40% improvement in kinase peptide coverage, while reducing the analysis time by half (90 min vs. 180 min per sample). Additionally, there was a modest improvement to the coefficient of variation (CV) in kinase peptide quantification (decrease from 11.41% to 10.70%; mean CV). Shorter liquid chromatography (LC) gradient times (60, 45, and 30 min) were evaluated as a means for increasing sample analysis throughput. Notably, no significant loss in kinase peptide coverage was observed due to shorter gradients, highlighting the capability of DIA to significantly enhance the efficiency and scalability of kinase profiling workflows.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12910189/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146207213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

HPLC-MS/MS Method for Monitoring of L-Asparaginase Activity by Using Asparagine and Aspartic Acid Plasma Levels HPLC-MS/MS法测定血浆天冬酰胺和天冬氨酸水平检测l -天冬酰胺酶活性

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-13 DOI: 10.1002/jms.70036

Cem Kaplan, İbrahim Daniş, Durişehvar Özer Ünal

引用次数: 0

PSLite Online: A Portable, Modern Web Application to Analyze Top-Down Mass Spectrometry Fragmentation Data PSLite在线：一个便携式的，现代的Web应用程序来分析自顶向下的质谱碎片数据。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-12 DOI: 10.1002/jms.70037

Ryan T. Fellers, Joseph B. Greer, Bryan P. Early, Michael A. R. Hollas, Matthew T. Robey, Neil L. Kelleher, Kenneth R. Durbin

{"title":"PSLite Online: A Portable, Modern Web Application to Analyze Top-Down Mass Spectrometry Fragmentation Data","authors":"Ryan T. Fellers, Joseph B. Greer, Bryan P. Early, Michael A. R. Hollas, Matthew T. Robey, Neil L. Kelleher, Kenneth R. Durbin","doi":"10.1002/jms.70037","DOIUrl":"10.1002/jms.70037","url":null,"abstract":"PSLite Online is a modern, web-based application designed to facilitate the analysis of top-down mass spectrometry fragmentation data, particularly for targeted proteoform studies. As a successor to the Windows-only ProSight Lite, PSLite Online retains and expands upon its core functionalities while offering platform independence and enhanced usability through a responsive, browser-based interface. Users can load or manually define proteoforms, apply a wide range of modifications, and visualize fragmentation coverage in real time. Key new features include ProForma integration, correction for common mass deconvolution errors, SVG export, and cloud-based session sharing via persistent URLs. The application leverages modern web technologies and component libraries to deliver a lightweight, installable progressive web app (PWA) experience. Here, we show that PSLite Online can be used for the characterization of antibody subunits with glycan modifications. This solution broadens accessibility for proteomics researchers by eliminating installation barriers and enabling seamless collaboration across devices and platforms. PSLite Online is freely available at https://pslite.proteinaceous.net.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12902720/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146180610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Selected Ion Flow-Tube Mass Spectrometry (SIFT-MS) of Mo(CO)6 and W(CO)6 Vapours With Positive and Negative Reagent Ions 选择性离子流管质谱法（SIFT-MS）测定Mo(CO)6和W(CO)6蒸汽的正负试剂离子。

IF 2 3区化学

Journal of Mass Spectrometry Pub Date : 2026-02-10 DOI: 10.1002/jms.70033

Kseniya Dryahina, Patrik Španěl, Stanislav Musil, Miroslav Polášek

{"title":"Selected Ion Flow-Tube Mass Spectrometry (SIFT-MS) of Mo(CO)6 and W(CO)6 Vapours With Positive and Negative Reagent Ions","authors":"Kseniya Dryahina, Patrik Španěl, Stanislav Musil, Miroslav Polášek","doi":"10.1002/jms.70033","DOIUrl":"10.1002/jms.70033","url":null,"abstract":"Selected ion flow-tube mass spectrometry (SIFT-MS) was used to characterise the gas-phase ion–molecule reactions of the eight standard reagent ions H3O+, NO+, O2+˙, OH−, O−˙, O2−˙, NO2− and NO3− with molybdenum and tungsten hexacarbonyls, Mo(CO)6 and W(CO)6. These compounds, chosen as model volatile transition-metal carbonyls, were introduced directly into the SIFT at variable concentrations, and mass spectra were obtained for all reagent ions. Reactions with the positive reagent ions were fast and close to the collisional limit, proceeding mainly by proton transfer (H3O+) or charge transfer (NO+ and O2+˙) with little fragmentation. In contrast, negative-ion reactions were slower and chemically more diverse. O−˙ and O2−˙ produced sequential oxidation and ligand-exchange products, MoOx(CO)6−n−˙ and WOx(CO)6−n−˙, while NO2− reacted slowly only with Mo(CO)6. Relative rate coefficients normalised to H3O+ proton transfer were determined. The results establish the feasibility of SIFT-MS for direct, real-time detection of transition-metal carbonyl vapours and clarify their underlying ion–molecule chemistry. Positive-ion channels offer the most sensitive analytical response, whereas negative-ion reactions reveal complementary oxidative pathways. This study thus extends SIFT-MS to a new class of metal–ligand compounds, which are relevant to environmental and occupational monitoring.","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 3","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/jms.70033","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146157181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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