Journal of the American Society for Mass Spectrometry最新文献_第10页

Regarding Emitter Positioning for Nanoflow Electrospray Ionization with a High-Capacity Inlet Capillary 基于大容量进口毛细管的纳米流电喷雾电离发射器定位研究。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-06 DOI: 10.1021/jasms.5c00441

Noah M. Lancaster, , , Scott T. Quarmby, , , Katherine A. Overmyer, , and , Joshua J. Coon*,

引用次数: 0

Improved High-Throughput Platform for In-Cell Fast Photochemical Oxidation of Proteins via an Automated XY Stage (AXYS) 通过自动XY阶段（AXYS）改进的细胞内快速光化学氧化蛋白质的高通量平台。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-06 DOI: 10.1021/jasms.5c00398

Jalah J. Morris, , , Carlynda Lee, , , Tristan Q. Thai, , and , Lisa M. Jones*,

{"title":"Improved High-Throughput Platform for In-Cell Fast Photochemical Oxidation of Proteins via an Automated XY Stage (AXYS)","authors":"Jalah J. Morris, , , Carlynda Lee, , , Tristan Q. Thai, , and , Lisa M. Jones*, ","doi":"10.1021/jasms.5c00398","DOIUrl":"10.1021/jasms.5c00398","url":null,"abstract":"Mass spectrometry (MS)-based protein footprinting and, more specifically, fast photochemical oxidation of proteins (FPOP) are methods that have been found to be important for studying proteins, their structures, and their relationships to other proteins or ligands. In-cell FPOP (IC-FPOP) was developed to study proteins in their native environment. Initial work with IC-FPOP has been performed using a platform incubator with an XY movable stage (PIXY). However, low throughput and a six-well plate format restricted the experiment by limiting the number of technical replicates that can be analyzed at one time and requiring large amounts of samples per experiment. Here, we introduce an improved, higher throughput platform that allows IC-FPOP to be run on a fully automated XY stage (AXYS) using 24-well plates. Comparison with the PIXY system results shows that this platform can successfully modify more proteins in less time. AXYS also increases the types of biological samples that can be analyzed by IC-FPOP.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 3","pages":"710–716"},"PeriodicalIF":2.7,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/jasms.5c00398","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146130821","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

Efficient and Cost-Effective Enzyme Deposition onto Tissues for Mass Spectrometry Imaging of N-Glycans Using a Mini-Humidifier 高效和经济的酶沉积在组织上的n -聚糖质谱成像使用小型加湿器。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-04 DOI: 10.1021/jasms.5c00435

Erik Sveen, , , Alyssa M. Moore, , , Miranda R. Weigand, , and , Julia Laskin*,

{"title":"Efficient and Cost-Effective Enzyme Deposition onto Tissues for Mass Spectrometry Imaging of N-Glycans Using a Mini-Humidifier","authors":"Erik Sveen, , , Alyssa M. Moore, , , Miranda R. Weigand, , and , Julia Laskin*, ","doi":"10.1021/jasms.5c00435","DOIUrl":"10.1021/jasms.5c00435","url":null,"abstract":"Mass spectrometry imaging (MSI) is a powerful technique for studying the spatial localization of N-linked glycans in biological tissues, which are important biomarkers for various diseases. Analyzing N-linked glycans requires the deposition of an enzyme onto a biological tissue section to release them from proteins. However, existing equipment for enzyme deposition is relatively expensive and may not be readily accessible to some laboratories. To address this challenge, we developed and evaluated a cost-effective approach for enzyme application onto tissue sections using a mini-humidifier. We demonstrate the capabilities of this approach by applying peptide N-glycosidase F (PNGase F) for MSI of N-linked glycans present within mouse brain tissue sections using nanospray desorption electrospray ionization (nano-DESI). The performance of the mini-humidifier was comparable to that of a widely used HTX-TM Sprayer, establishing it as a cost-effective and efficient alternative for enzyme deposition onto tissue samples in MSI experiments. This work offers an accessible approach for enzyme application on biological samples to study the spatial distribution of N-linked glycans using MSI.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 3","pages":"746–753"},"PeriodicalIF":2.7,"publicationDate":"2026-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146117343","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

Legends of Ion Mobility Spectrometry – Erkinjon G. Nazarov 离子迁移谱法的传奇- Erkinjon G. Nazarov

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-04 DOI: 10.1021/jasms.5c00415

Maggie Tam, and , Francisco Fernández-Lima*,

引用次数: 0

Legends of Ion Mobility Spectrometry – Herbert H. Hill, Jr. 离子迁移谱法的传奇- Herbert H. Hill, Jr。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-04 DOI: 10.1021/jasms.5c00414

Maggie Tam, and , Francisco Fernández-Lima*,

引用次数: 0

Legends of Ion Mobility Spectrometry – Charles S. Harden 离子迁移谱法的传奇-查尔斯S.哈登

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-04 DOI: 10.1021/jasms.5c00416

Maggie Tam, and , Francisco Fernández-Lima*,

引用次数: 0

Mapping Native Peptide–Peptide Noncovalent Interactions: Insights from Trapped Ion Mobility Spectrometry, Electron- and UV-Fragmentation, Tandem Mass Spectrometry, and Molecular Dynamics 绘制天然肽-肽非共价相互作用：从捕获离子迁移率光谱，电子和紫外线碎片，串联质谱和分子动力学的见解。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-03 DOI: 10.1021/jasms.5c00357

Miguel Santos-Fernandez, , , Kevin Jeanne Dit Fouque, , , Samuel Silva da Rocha Pita, , , Prem P. Chapagain, , , Fenfei Leng, , and , Francisco Fernandez-Lima*,

{"title":"Mapping Native Peptide–Peptide Noncovalent Interactions: Insights from Trapped Ion Mobility Spectrometry, Electron- and UV-Fragmentation, Tandem Mass Spectrometry, and Molecular Dynamics","authors":"Miguel Santos-Fernandez, , , Kevin Jeanne Dit Fouque, , , Samuel Silva da Rocha Pita, , , Prem P. Chapagain, , , Fenfei Leng, , and , Francisco Fernandez-Lima*, ","doi":"10.1021/jasms.5c00357","DOIUrl":"10.1021/jasms.5c00357","url":null,"abstract":"Noncovalent interactions play an important role in the way protein structures and protein–protein interactions are stabilized. Mapping these interactions at a molecular level is crucial as peptide complexes serve as models for protein–protein interfaces. In this work, complementary analyses using trapped ion mobility spectrometry (TIMS), tandem ECD/UVPD MS fragmentation, and molecular dynamics were applied to the study of native peptide–peptide complexes. In particular, three complexes representing peptide–peptide intramolecular interactions of the intrinsically disordered high-mobility group AT-Hook2 (HMGA2) protein were described. AT-hook peptides, when complexed with the C-terminal tail (CTMP), showed a higher gas-phase stability for ATHP1–CTMP, followed by ATHP2–CTMP and ATHP3–CTMP. High sequence coverage was obtained by using ECD and UVPD fragmentation for the single peptides (∼100%) and the peptide–peptide complexes (∼75%). At least three peptide–peptide structures were separated in the mobility domain for the ATHP–CTMP complexes. All three complexes showed high structural diversity and the possibility of being aligned in forward and backward orientations.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 3","pages":"638–648"},"PeriodicalIF":2.7,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111877","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

Extending Calibration Anchors Resolves Low-m/z Shifts in Negative-Mode Orbitrap Workflows 扩展校准锚解决负模式轨道工作流程中的低m/z移位。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-03 DOI: 10.1021/jasms.5c00362

Francisco José Díaz-Galiano*, and , Bruno Le Bizec,

{"title":"Extending Calibration Anchors Resolves Low-m/z Shifts in Negative-Mode Orbitrap Workflows","authors":"Francisco José Díaz-Galiano*,  and , Bruno Le Bizec, ","doi":"10.1021/jasms.5c00362","DOIUrl":"10.1021/jasms.5c00362","url":null,"abstract":"Reliable mass accuracy is essential for the confident identification of diagnostic fragment ions in high-resolution mass spectrometry. During the analysis of perfluoroalkyl sulfonic acids (PFSAs) with a Q Exactive Orbitrap, we consistently observed the characteristic O3Ṡ– fragment, expected at a mass-to-charge ratio (m/z) of 79.9574, reported at m/z 79.9568, a systematic deviation of approximately −6 parts per million (ppm). Similar errors affected other ions below m/z 100, while precursors and higher-m/z fragments remained within the specification. Comparison with an Exploris 120 instrument, calibrated with anchors down to m/z 59, confirmed that the deviation is not intrinsic to the ion but originates from the limited calibration range of the Q Exactive standard calibration solution. We demonstrate that extending calibration to include additional low-m/z anchors generated in situ by in-source fragmentation fully corrects the error without affecting the accuracy at a higher m/z. This adjustment resolves systematic deviations for ions below m/z 100 in the Q Exactive instruments.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 3","pages":"798–802"},"PeriodicalIF":2.7,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111879","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

Isotope Abundance Measurement by Molecular Coulomb Explosion: Proof of Concept and Initial Performance Evaluation for Carbon and Oxygen Isotope Abundance 用分子库仑爆炸测量同位素丰度：碳和氧同位素丰度的概念证明和初步性能评估。

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-02-03 DOI: 10.1021/jasms.5c00373

RuiTian Zhang*, , , Chijun Zhang, , , Liyong Zhang*, , , Klavs Hansen, , , Shaofeng Zhang, , and , Xinwen Ma,

{"title":"Isotope Abundance Measurement by Molecular Coulomb Explosion: Proof of Concept and Initial Performance Evaluation for Carbon and Oxygen Isotope Abundance","authors":"RuiTian Zhang*, , , Chijun Zhang, , , Liyong Zhang*, , , Klavs Hansen, , , Shaofeng Zhang, , and , Xinwen Ma, ","doi":"10.1021/jasms.5c00373","DOIUrl":"10.1021/jasms.5c00373","url":null,"abstract":"Stable and long-lived radioactive isotopes are ubiquitous in nature and serve as unique tracers across diverse fields such as nuclear astrophysics, atmosphere chemistry, hydrology, environmental chemistry, and the diagnosis of diseases in the human body. Over the past decades, accelerator mass spectrometry and spectroscopic methods have been used to measure the abundance of stable and long-lived radioactive isotopes. However, their accuracy has been constrained by the systematic uncertainties inherent in sophisticated instrumentation and limitations in the abundance sensitivity. Here, we present a novel approach based on the fundamental mechanism of molecular Coulomb explosion fragmentation (i.e., molecules breakup as a result of Coulomb repulsion between the positively charged nuclei within molecules that are rapidly stripped of their electrons), utilizing a two-dimensional coincidence time-of-flight spectrometer to detect fragmented isotopic ion pairs. The present method enables direct determination of the isotopic abundances of 13C and 18O with an accuracy better than 0.02%, significantly improving abundance sensitivity by powerful identification and eliminating systematic uncertainties. Our molecular Coulomb explosion spectrometry provides high-accuracy measurement of stable and long-lived radioactive isotope abundance, with significant potential to advance isotope tracer studies in the Earth environment, anthropology, archeology, global ecological cycles, fundamental nuclear physics, and biomedicine.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 3","pages":"676–681"},"PeriodicalIF":2.7,"publicationDate":"2026-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111927","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

Infrared Ion Spectroscopy Combined with Ion Mobility Spectrometry for Identification of Caffeine Metabolite Isomers and Protomers 红外离子光谱结合离子迁移谱法鉴定咖啡因代谢物异构体和原聚物

IF 2.7 2区化学

Journal of the American Society for Mass Spectrometry Pub Date : 2026-01-28 DOI: 10.1021/jasms.5c00356

Gustavo Cervi, and , Thiago C. Correra*,

{"title":"Infrared Ion Spectroscopy Combined with Ion Mobility Spectrometry for Identification of Caffeine Metabolite Isomers and Protomers","authors":"Gustavo Cervi,  and , Thiago C. Correra*, ","doi":"10.1021/jasms.5c00356","DOIUrl":"https://doi.org/10.1021/jasms.5c00356","url":null,"abstract":"Chromatography combined with tandem mass spectrometry is a conventional strategy for metabolite differentiation and identification. However, coelution and overlapping fragmentation patterns often limit confident assignment of isomeric and isobaric species. Caffeine metabolites represent a particularly challenging case. Here, we demonstrate a high-field asymmetric waveform ion mobility spectrometry (FAIMS) approach coupled with infrared multiple photon dissociation (IRMPD) ion spectroscopy for the identification of the major caffeine metabolites paraxanthine (PX), theobromine (TB), and theophylline (TP). FAIMS provided baseline separation of these isomers into four distinct populations, including two distinct protomers of protonated TB. The nature of each FAIMS population was probed by IRMPD, which enabled structural assignment and revealed unique protomeric signatures for PX and TP. This combined FAIMS–IRMPD workflow not only resolves isomeric metabolites but also distinguishes protomeric and tautomeric forms, expanding the scope of ion mobility–spectroscopy approaches in metabolite analysis.","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 3","pages":"628–637"},"PeriodicalIF":2.7,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/jasms.5c00356","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147335074","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