Journal of Mass Spectrometry最新文献

{"title":"IP–LC–MS/MS-Based Identification of Candidate TPL2 (MAP3K8)-Associated Proteins in Porcine PK-15 Cells","authors":"Dajun Zhang,&nbsp;Dengshuai Zhao,&nbsp;Jiajun Lin,&nbsp;Shikai Cai,&nbsp;Yuanhang Zhang,&nbsp;Ping Li,&nbsp;Han Gao,&nbsp;Limei Qin,&nbsp;Keshan Zhang","doi":"10.1002/jms.70086","DOIUrl":"10.1002/jms.70086","url":null,"abstract":"<div>\u0000 \u0000 <p>Tumor progression locus 2 (TPL2, also known as MAP-3K8/COT) is a kinase that regulates MAPK and NF-κB signaling and contributes to antiviral immunity. While mammalian TPL2 has been widely studied, the TPL2-associated protein profile in swine cells remains largely unexplored. In this study, we generated an IP–LC–MS/MS-based candidate dataset of TPL2-associated proteins in porcine kidney epithelial (PK-15) cells. FLAG-tagged TPL2 was overexpressed in PK-15 cells and enriched by immunoprecipitation, followed by liquid chromatography–tandem mass spectrometry (LC–MS/MS) analysis. After subtraction of proteins detected in the empty-vector negative IP control, a total of 666 candidate TPL2-associated proteins were identified. Bioinformatic analyses, including Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment, and protein–protein interaction (PPI) network analysis, indicated that these candidates were mainly associated with RNA binding, protein modification, ubiquitin–proteasome processes, spliceosome-related pathways, and immune-associated signaling. Collectively, our results provide an IP–LC–MS/MS-based candidate resource of TPL2-associated proteins in porcine PK-15 cells, offering a useful basis for future studies on TPL2-mediated host signaling and virus–host interactions.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148437029","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}

{"title":"Evaluation of Surface Acoustic Wave Nebulization for NEMS Mass Spectrometry","authors":"Mehrzad Roudini,&nbsp;Louis Dartiguelongue,&nbsp;Alexandra Kraut,&nbsp;Vaitson Çumaku,&nbsp;Aikaterini Tsirkou,&nbsp;Thomas Fortin,&nbsp;Marc Sansa,&nbsp;Pascale Boulanger,&nbsp;Andreas Winkler,&nbsp;Christophe D. Masselon","doi":"10.1002/jms.70084","DOIUrl":"10.1002/jms.70084","url":null,"abstract":"<div>\u0000 \u0000 <p>Nano-electromechanical systems mass spectrometry (NEMS-MS) enables single-particle mass measurements with resolving power that increases for ultra-massive analytes, but its practical sensitivity is currently limited by sample introduction methods. Here, we evaluated surface acoustic wave nebulization (SAWN) as a suitable particle source for NEMS-MS. A compact SAW-based nebulizer was characterized using scanning mobility particle sizer (SMPS) measurements of sucrose residues, yielding a mean droplet diameter of ~2.0 μm and a transmission efficiency of up to 30%. Nebulization of solid nanoparticles was validated using polystyrene latex (PSL) standards. Application of SAWN-NEMS-MS to biological capsid-like particles (CLP) revealed substantial nonvolatile salt adduction, contributing to the detected mass and broadening mass distributions. At high particle concentrations, multiparticle encapsulation produced aggregates exceeding 100 MDa. Our findings outline the potential and limitations of SAWN for single-particle NEMS-MS: while demonstrating enhanced transfer efficiency, our results indicate that reduced droplet sizes and extensive desalting are essential requisites for achieving native analysis of large biological assemblies.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148421694","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}

{"title":"Identification of Chemical Components in Different Parts of Solanum virginianum L. Based on UHPLC-Q-Exactive Orbitrap MS Combined With Feature-Based Molecular Networking","authors":"Hanting Li,&nbsp;Liangyin Shu,&nbsp;Suyu Yang,&nbsp;Qing Li,&nbsp;Huanting Li,&nbsp;Wei Cai,&nbsp;Shunli Xiao","doi":"10.1002/jms.70087","DOIUrl":"10.1002/jms.70087","url":null,"abstract":"<div>\u0000 \u0000 <p><i>Solanum virginianum</i> L., a traditional Solanaceae medicinal plant, is clinically valued for dispelling wind-dampness and relieving pain. Previous phytochemical investigations have predominantly focused on the fruits, identifying alkaloids and steroids with notable anti-inflammatory and antipsoriasis activities. However, systematic research regarding the chemical constituents of other medicinal parts, such as roots and stems, remains scarce, hindering a comprehensive understanding of the plant's material basis. To address this gap, this study systematically characterizes the chemical components of different parts leaves-stems, roots, and fruits-providing essential data for the holistic utilization and quality control of <i>S. virginianum</i>. The chemical constituents of <i>S. virginianum</i>. were fully investigated using Ultra-High Performance Liquid Chromatography-Quadrupole-Exactive Orbitrap Mass Spectrometry (UHPLC-Q-Exactive Orbitrap MS) combined with the Feature-based molecular networking (FBMN). A total of 110 chemical components were identified by comparison with reference standards, databases, and literature. Among them, 89 compounds were reported for the first time in this species, 18 compounds were accurately confirmed, and 51 compounds were simultaneously identified in all three parts, leaves-stems (L), roots (R), and fruits (F). The established method enables rapid and effective identification of the main chemical constituents in <i>S. virginianum</i>, providing a reference for its quality control, studies on active components, and mechanism of action exploration.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148412136","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}

{"title":"Enhanced Sensitivity and Selectivity for the Quantification and Organ-Specific Distribution of Imidacloprid in Zebrafish Tissues via UHPLC–MS","authors":"Jiarui Zhang,&nbsp;Sijia Tong,&nbsp;Hongjie Ju,&nbsp;Hui Miao,&nbsp;Yujuan Gong,&nbsp;Meiyun Shi,&nbsp;Lei Yin","doi":"10.1002/jms.70082","DOIUrl":"10.1002/jms.70082","url":null,"abstract":"<div>\u0000 \u0000 <p>Neonicotinoid insecticides, such as imidacloprid, pose significant risks to aquatic ecosystems due to their widespread use and potential for accumulation. In this study, a sensitive and robust analytical strategy based on ultra-high performance liquid chromatography–tandem mass spectrometry (UHPLC–MS³) was developed and validated for the determination of imidacloprid in multiple complex zebrafish biological matrices, including the muscle, liver, intestine, heart, brain, and gills. By harnessing the unique selectivity of the MS³ acquisition mode, the method effectively eliminated endogenous matrix interferences and achieved a 243-fold enhancement in signal intensity compared to the conventional multiple reaction monitoring (MRM) mode. The sample pretreatment utilized a streamlined protein precipitation approach with methanol, ensuring high extraction efficiency and reproducibility across all tissues. The method was fully validated according to FDA guidelines, demonstrating excellent linearity, accuracy, and precision. Furthermore, the practical application of this assay in a tissue distribution study revealed a non-uniform accumulation pattern of imidacloprid, with the highest concentrations observed in the muscle and intestine, and the lowest in the heart. These findings provide a powerful tool and essential empirical data for further biodistribution investigations and environmental risk assessments of trace-level contaminants in micro-gram level biological samples.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148412049","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}

{"title":"Derivatization-Enabled Detection of Formalin From Preserved Tissues Using Coated Blade Spray Mass Spectrometry","authors":"Jessie F. Deng,&nbsp;Arlo Hinckley,&nbsp;Mary Faith Flores,&nbsp;Megan Viera,&nbsp;Richard D. Oleschuk,&nbsp;Melissa T. R. Hawkins,&nbsp;G. Asher Newsome","doi":"10.1002/jms.70080","DOIUrl":"10.1002/jms.70080","url":null,"abstract":"<div>\u0000 \u0000 <p>Formalin-fixed, fluid-preserved specimens in natural history collections offer invaluable scientific and cultural insight but pose genomic challenges due to molecular degradation and persistent chemical hazards. In particular, residual formaldehyde can impair downstream molecular workflows and present occupational safety risks for collection handlers. Formaldehyde modifies biological macromolecules by forming covalent crosslinks between nucleic acids and proteins and also by promoting DNA fragmentation, which lowers extraction efficiency and limits the recovery of amplifiable genetic material. To address the need for minimally invasive, rapid formaldehyde detection, we developed a coated blade spray mass spectrometry (CBS-MS) workflow using on-blade derivatization with 2,4 dinitrophenylhydrazine (2,4-DNPH). A custom 3D-printed multiblade holder enabled rapid sequential analysis of 12 blades held in identical positions. Qualitative confirmation on formalin-fixed mammals established detection, while application to archival specimens of the minute fruit bat (<i>Cynopterus minutus)</i> detected formaldehyde in samples recorded only as alcohol-preserved. Variation in signal intensity was observed across replicates, and paraformaldehyde was visually apparent. Overall, the CBS-MS approach offers a minimally invasive, efficient strategy for characterizing preservation chemistry in fluid-stored specimens.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 8","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148412074","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}

{"title":"UHPLC-HR-IDX-Orbitrap-MS Profiling of Eryngium triquetrum Vahl: Chemical Characterization and Associated Biological Activities","authors":"Chaima Mouffouk,&nbsp;Soumia Mouffouk,&nbsp;Rayan A. Mulla,&nbsp;Abdul-Hamid Emwas,&nbsp;Mariusz Jaremko,&nbsp;Hadjer Medghoul,&nbsp;Meryem Mehdaoui,&nbsp;Hamada Haba","doi":"10.1002/jms.70076","DOIUrl":"10.1002/jms.70076","url":null,"abstract":"<div>\u0000 \u0000 <p>High-resolution mass spectrometry is a powerful tool for the comprehensive characterization of complex natural matrices. In this study, ultrahigh-performance liquid chromatography coupled with high-resolution Orbitrap mass spectrometry (UHPLC-HR-IDX-Orbitrap-MS) was employed to profile the chemical composition of the methanolic extract of <i>Eryngium triquetrum</i> Vahl. In addition, total bioactive contents were measured using various colorimetric methods. Cytotoxicity was examined via the <i>Artemia salina</i> lethality bioassay, and anti-denaturation activity was tested by the protein thermal-induced denaturation test. The membrane-destabilizing effect was assessed using an erythrocyte model, and the antioxidant ability was evaluated by five different methods. UHPLC-HR-IDX-Orbitrap-MS analysis revealed a variety of biomolecules comprising 66 putative compounds across multiple classes of natural compounds, namely, flavonoids, fatty acids, triterpenoids, alkaloids, sesquiterpenoids, diterpenoids, glycoside derivatives, and heterocyclic compounds. Fatty acids and flavonoids were the predominant constituents found in the methanolic extract (ETME). Despite relatively low total phenolic and moderate terpenoid contents, the extract exhibited strong total antioxidant capacity and significant hydroxyl radical-scavenging activity (IC₅₀ = 49.21 μg/mL), with moderate metal-reducing and chelation effects. The methanolic extract caused low erythrocyte membrane lysis (30% at 2.5 mg/mL), whereas significant cytotoxicity was observed (LD₅₀ = 9.25 μg/mL). In addition, a strong anti-denaturation effect (IC₅₀ = 157.8 μg/mL) was recorded. Overall, the present study highlights the effectiveness of UHPLC-HR-IDX-Orbitrap-MS for detailed chemical characterization of <i>E. triquetrum</i> and provides analytical insight into the relationship between high-resolution mass spectrometric profiling and associated biological activities of complex plant extracts.</p>\u0000 </div>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 7","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148391088","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}

{"title":"Helium Saver Mode With Nitrogen Make-Up Cooling Gas for GC–MS With Cold EI","authors":"Aviv Amirav","doi":"10.1002/jms.70081","DOIUrl":"10.1002/jms.70081","url":null,"abstract":"<p>Cold EI uses helium as the column carrier and cooling make-up gases at ~50 mL/min. In the rare case that helium supply could be temporarily interrupted, nitrogen or hydrogen can be used, but hydrogen leads to decomposition at the GC injector, and thus, nitrogen is preferred. However, nitrogen leads to longer analysis time and/or reduced separation. We describe the use of helium as the column carrier gas and nitrogen as the cooling make-up gas. In this “Helium Saver” mode, the helium consumption is as in standard EI and nitrogen can be used alone in stand-by mode for further helium saving.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 7","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.70081","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148375975","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}

{"title":"Petroleomics FT-ICR MS Data Processing Methods for Inter-Basin Discrimination of Lacustrine Oils From Two Brazilian Pre-Salt Basins","authors":"Luan Felipe Campos Oliveira,&nbsp;Jose Javier Melendez-Perez,&nbsp;Sérgio Eduardo Bernardo Mistura Lutzer,&nbsp;Alessandra Sussulini,&nbsp;Marcos Nogueira Eberlin","doi":"10.1002/jms.70079","DOIUrl":"10.1002/jms.70079","url":null,"abstract":"<p>Nonvolatile and polar fractions, largely composed of NSO heteroatom-containing compounds, play a key role in petroleum characterization by providing insights into organic geochemical parameters, such as thermal maturity and depositional environment, as well as physicochemical properties, including acidity and basicity. Electrospray ionization in the negative ion mode coupled with Fourier transform ion cyclotron resonance mass spectrometry (ESI(−) FT-ICR MS) applied to undisturbed whole oil samples has been established as a gold-standard technique for oil characterization, owing to its ability to directly ionize a broad range of polar compounds. However, the large volume and complexity of the resulting data pose significant challenges for data preprocessing, analysis, and visualization. In this study, we compared two distinct data preprocessing methodologies and show them to provide deeper insight into their application in FT-ICR MS petroleomics for inter-basin discrimination. We used lacustrine oils from two Brazilian Pre-salt basins as a case study.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 7","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.70079","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148375999","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}

{"title":"In Memory of Prof. Günter Allmaier (1956–2022)","authors":"Victor U. Weiss,&nbsp;Martina Marchetti-Deschmann,&nbsp;Wladyslaw W. Szymanski,&nbsp;Ernst Pittenauer","doi":"10.1002/jms.70074","DOIUrl":"10.1002/jms.70074","url":null,"abstract":"","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 7","pages":""},"PeriodicalIF":2.1,"publicationDate":"2026-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148276950","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}

{"title":"A Combined MS/MS and IMS Study Into the Fragmentation Pathway of Nifedipine","authors":"Peiliang Han,&nbsp;Newton Thomassen,&nbsp;Maarten Honing","doi":"10.1002/jms.70071","DOIUrl":"10.1002/jms.70071","url":null,"abstract":"<p>Collision-induced dissociation (CID) of small molecules, typically with a molecular mass below 1500 Da, is widely applied for the structural identification of drug metabolites, synthetic by-products and unknown compounds. Nonetheless, the interpretation of MS/MS spectra derived from protonated or sodiated molecules mainly relies on the comparison with literature data and proposed structures usually lack rigorous mechanistic justification and conclusive evidence. The commonly applied even-electron rule, as implemented in most literature and prediction software, does not support radical loss from protonated molecules. Similarly, fragmentation pathways of sodium adduct ions remain insufficiently explored and lack mechanistic rationalization. To improve the understanding of radical loss from even-electron nitro-containing compounds, a mechanistic study of fragmentation patterns of nifedipine, <i>m</i>-nifedipine, and related analogues was performed. Fragment ions generated from [M+H]⁺ and [M+Na]⁺ of nifedipine revealed distinct mechanisms compared with its positional isomers, while showing similarities with analogues like nisoldipine and aranidipine. The nitro group at the ortho position significantly influences fragment stability, leading to a unique fragmentation mechanism described as ortho effect. The mechanism was further investigated using isotope labelled analogs, ion mobility spectrometry (IMS), precursor ion scan (PIS), and density functional theory (DFT) calculations. Different approaches in combining IMS with MS/MS demonstrated strong capability for elucidation of fragmentation pathways.</p>","PeriodicalId":16178,"journal":{"name":"Journal of Mass Spectrometry","volume":"61 7","pages":""},"PeriodicalIF":2.0,"publicationDate":"2026-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jms.70071","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148217957","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}