Journal of the American Society for Mass Spectrometry最新文献

筛选
英文 中文
Characterization of Disulfide Bonds in Cyclic Peptides Using Electron Transfer–Ultraviolet Photodissociation Mass Spectrometry 电子转移-紫外光解质谱法表征环肽中的二硫键。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-06-23 DOI: 10.1021/jasms.6c00129
Jessica Hellinger, Justin Randall, Bryan W. Davies, Jennifer Brodbelt
{"title":"Characterization of Disulfide Bonds in Cyclic Peptides Using Electron Transfer–Ultraviolet Photodissociation Mass Spectrometry","authors":"Jessica Hellinger,&nbsp;Justin Randall,&nbsp;Bryan W. Davies,&nbsp;Jennifer Brodbelt","doi":"10.1021/jasms.6c00129","DOIUrl":"10.1021/jasms.6c00129","url":null,"abstract":"<p>Analysis of peptides with multiple disulfide bonds canbe challengingbecause of the complexity of deciphering fragment ions originatingfrom dual backbone and disulfide bond cleavages required to releasefragment ions from the regions spanned by disulfide bonds. Two ionactivation methods, electron transfer dissociation (ETD) and ultravioletphotodissociation (UVPD) have demonstrated the ability to cleave disulfidemotifs, either via C–S or S–S bond cleavages, resultingin diagnostic fragment ions that can help localize disulfide bonds.Here, these MS/MS methods are examined in comparison to a hybrid method,ET-UVPD, for the characterization of peptides containing multipledisulfide bonds. Fragment ions arising from S–S and C–Sbond cleavages, both with and without hydrogen atom transfer and withdual S–S and C–S cleavages, were searched based on alist of possible products generated from alternative cleavage pathways.Identification of these low-abundance fragment ions can facilitatethe characterization of peptides constrained by multiple disulfidebonds.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1901–1909"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148306464","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
How “Soft” Are Your Gas Mixtures? Effects of Modifier Gas Types on the Dissociation of Labile Ions in Differential Mobility Spectrometry 你的气体混合物有多“软”?差分迁移率光谱法中改性气体类型对不稳定离子解离的影响。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-02 DOI: 10.1021/jasms.6c00084
Andrew L. Finlay, Wojciech Gabryelski, W. Scott Hopkins
{"title":"How “Soft” Are Your Gas Mixtures? Effects of Modifier Gas Types on the Dissociation of Labile Ions in Differential Mobility Spectrometry","authors":"Andrew L. Finlay,&nbsp;Wojciech Gabryelski,&nbsp;W. Scott Hopkins","doi":"10.1021/jasms.6c00084","DOIUrl":"10.1021/jasms.6c00084","url":null,"abstract":"<p>We investigate thestabilizing or destabilizing effectsof severalcarrier gas mixtures on fragile ions analyzed with differential mobilityspectrometry (DMS). We employed two “thermometer ion”species, 4-methylbenzyl ammonium and 4-methoxybenzylpyridinium toestimate the effective temperature (<em>T</em><sub>eff</sub>) ions experience inside the DMS in these mixed-gas environments,as well as protonated glycine, for an additional ion chemistry. Raisingthe separation voltage (SV) to induce substantial field heating ofthe thermometer ions, we found in each case that <em>T</em><sub>eff</sub> was lowered by 5 K for every 10% CO<sub>2</sub> addedto the default N<sub>2</sub> carrier gas. When holding the N<sub>2</sub> fraction of the gas constant at 80%, combined with 20% of one ofseveral modifier gases (He, Ne, Ar, CO<sub>2</sub>, CH<sub>4</sub>, SF<sub>6</sub>), then ramping the SV to induce ion dissociation,we found the slope of the <em>T</em><sub>eff</sub>(SV) curveinsensitive to modifier gas type, but that the inflection point ofthe survival yield curve, or critical SV (SV<sub>crit</sub>, a proxyfor the highest SV available for resolution enhancement), changedwith gas type. A strong correlation was observed between SV<sub>crit</sub> and the gas mixture viscosity. Relating this trend to theory, wepropose an easy-to-calculate approximation of this correlation, includinga mass correction. This model generally improved the linearity ofthe comparison, except for (the much more massive) SF<sub>6</sub>.These results provide empirical data on the (de)stabilizing effectsof a wide range of modifier gases in DMS and provide a simple approachto predicting the impact of gas mixtures on ion stability using readilyavailable gas viscosity data.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1812–1821"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148374119","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
Mapping Double-Bond Positional Isomers of Phosphatidylcholines in Zebrafish Using OzMALDI Mass Spectrometry Imaging 利用OzMALDI质谱成像技术在斑马鱼中定位磷脂酰胆碱双键异构体。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-06 DOI: 10.1021/jasms.6c00145
Shanika M. Weerasinghe, Josiah J. Rensner, Jeffrey J. Essner, Young Jin Lee
{"title":"Mapping Double-Bond Positional Isomers of Phosphatidylcholines in Zebrafish Using OzMALDI Mass Spectrometry Imaging","authors":"Shanika M. Weerasinghe,&nbsp;Josiah J. Rensner,&nbsp;Jeffrey J. Essner,&nbsp;Young Jin Lee","doi":"10.1021/jasms.6c00145","DOIUrl":"10.1021/jasms.6c00145","url":null,"abstract":"<p>Precisecharacterization of lipid structures requires resolvingcarbon–carbon double-bond (db) positional isomers, structuraldetails that are typically inaccessible using conventional tandemmass spectrometry. To overcome this limitation, we previously developedan in-source ozonolysis method for matrix-assisted laser desorption/ionization(MALDI) by introducing ozone gas into the MALDI source. This technique,termed OzMALDI, enables confident assignment of db positions duringmass spectrometry imaging (MSI). In this study, we applied the OzMALDIworkflow to zebrafish to elucidate the phosphatidylcholine (PC) structuresin MSI. This was achieved by combining MALDI-MS/MS of lithium adductsfor fatty acyl composition analysis with OzMALDI-MS/MS for db positionanalysis. Using this integrated approach, we identified the majorityof PC species in zebrafish for their fatty acyl chain and positionalisomers, along with their localization. Monounsaturated PCs exhibiteddistinct <em>n</em>-7 and <em>n</em>-9 isomers withpronounced organ-specific enrichment: <em>n</em>-7 isomerswere predominant in the heart and dorsal muscle, whereas <em>n</em>-9 isomers were enriched in the ovary. In contrast, di- and polyunsaturatedPC isomers did not display organ-specific differences. Together, theseresults establish a foundation for a future investigation into lipidremodeling in wild-type zebrafish as well as generic models and diseasestates.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1922–1930"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148389734","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
Slice Collision-Induced Unfolding and Molecular Dynamics Reveal How Post-Translational Succination Reshapes SUMO1 Unfolding Pathways 切片碰撞诱导的展开和分子动力学揭示了翻译后琥珀化如何重塑SUMO1展开途径。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-07 DOI: 10.1021/jasms.6c00118
Louis Groignet, Thomas Robert, Quentin Duez, Jehan Claessens, Patrick Brocorens, Pascal Gerbaux, Julien De Winter
{"title":"Slice Collision-Induced Unfolding and Molecular Dynamics Reveal How Post-Translational Succination Reshapes SUMO1 Unfolding Pathways","authors":"Louis Groignet,&nbsp;Thomas Robert,&nbsp;Quentin Duez,&nbsp;Jehan Claessens,&nbsp;Patrick Brocorens,&nbsp;Pascal Gerbaux,&nbsp;Julien De Winter","doi":"10.1021/jasms.6c00118","DOIUrl":"10.1021/jasms.6c00118","url":null,"abstract":"<p>SUMO1 (small ubiquitin-like modifier 1) is a centralfeature ofpost-translational SUMOylation, modifying a broad range of substrateproteins. SUMO1 itself is prone to succination, i.e., a post-translationalMichael addition of cysteine onto fumarate, which results in the formationof succinated SUMO1 with modified properties. The present study assessesthe structural and gas-phase stability modifications in SUMO1 inducedby diethyl fumarate succination using advanced ion mobility spectrometry-massspectrometry (IMS-MS) techniques. Among them, collision-induced unfolding(CIU) and slice-CIU highlight a modified unfolding process resultingfrom the creation of specific charge-dipole interactions involvingthe appended dicarbonyl moiety. The experimental results are furthersupported by molecular dynamics simulations to understand, at theatomistic level, the mechanisms underlying the CIU of gaseous (derivatized)SUMO1 ions.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1872–1882"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148395546","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
Nontargeted LC-HRMS-Based Strategies as a Tool to Study the Behavior of Chemical Attribution Signatures of Organophosphorus in Complex Environmental Matrices 基于非靶向lc - hrms策略的复杂环境基质中有机磷化学属性特征研究
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-13 DOI: 10.1021/jasms.6c00112
Carla Orlandi, Grégoire Delaporte, Christine Albaret, Marie Tremblay-Franco, Emmanuel Joubert, Anne Bossée, Laurent Debrauwer, Emilien L. Jamin
{"title":"Nontargeted LC-HRMS-Based Strategies as a Tool to Study the Behavior of Chemical Attribution Signatures of Organophosphorus in Complex Environmental Matrices","authors":"Carla Orlandi,&nbsp;Grégoire Delaporte,&nbsp;Christine Albaret,&nbsp;Marie Tremblay-Franco,&nbsp;Emmanuel Joubert,&nbsp;Anne Bossée,&nbsp;Laurent Debrauwer,&nbsp;Emilien L. Jamin","doi":"10.1021/jasms.6c00112","DOIUrl":"10.1021/jasms.6c00112","url":null,"abstract":"<p>In chemical forensics, chemical source inference is crucialforthe determination of the origin of toxic agents through various analyticaland chemometric methodologies. Recent advancements in the study oforganophosphorus compounds as nerve agents have mainly focused onthe identification of specific production pathways and source materials.Using Chlorpyrifos as a model organophosphorus compound and previouslygenerated data, the present work aims to assess the robustness ofthe approach for the discrimination of chemical production routesby introducing environmental matrix complexity. Various crude Chlorpyrifossynthesis samples were spiked onto three complex environmental matrices(sand, soil, and surface river water) to simulate real-case samples.Experiments were carried out at two concentrations (20 ng/μLand 1 ng/μL) in crude samples. Sampling and extraction protocolswere developed, and recovery rates and matrix effects were assessedto track down impurity attribution signatures linked to the syntheticpathways from each matrix. Ultra-high-performance liquid chromatography(UHPLC) coupled to a hybrid trapped ion mobility-quadrupole time-of-flightsystem (TIMS-Q-ToF) was used in a metabolomics-based analytical strategy.Synthetic routes for contaminated environmental samples were predictedusing a training data set from various raw Chlorpyrifos syntheticpathways. Precision and the number of discriminant features in samplesfrom Non-Targeted Analysis (NTA) versus Suspect Screening Analysis(SSA) approaches were evaluated with confusion matrices and univariateanalysis to assess the relevance of the features employed. Finally,highly concentrated explosive residues were added to evaluate analyticalperturbance. This application in complex environmental conditionsrepresents a key step toward validating the proof of concept’stransferability and exploring its analytical limitations.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1848–1857"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148429615","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 Analysis in Real-Time Tandem Mass Spectrometry for Rapid Screening of Thirty-one Plant Growth Regulator Residues in Rehmannia glutinosa 实时串联质谱法快速筛选地黄中31种植物生长调节剂残留。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-01 DOI: 10.1021/jasms.6c00086
Renjie E, Shu Shang, Jingge Tian, Jing Sun, Xinxin Li, Weifeng Yao, Youlong Feng
{"title":"Direct Analysis in Real-Time Tandem Mass Spectrometry for Rapid Screening of Thirty-one Plant Growth Regulator Residues in Rehmannia glutinosa","authors":"Renjie E,&nbsp;Shu Shang,&nbsp;Jingge Tian,&nbsp;Jing Sun,&nbsp;Xinxin Li,&nbsp;Weifeng Yao,&nbsp;Youlong Feng","doi":"10.1021/jasms.6c00086","DOIUrl":"10.1021/jasms.6c00086","url":null,"abstract":"<p>Plant growth regulators (PGRs) are widely used in plant-derivedfood cultivation. However, misuse may cause pollution and residualcontamination. Challenges persist due to complex matrices and trace-levelresidual amounts, complicating detection in the plant foods. The presentstudy developed a real-time direct analysis-high resolution mass spectrometry(DART-HRMS) method to determine 31 plant growth regulator residuesin <em>Rehmannia glutinosa</em>. Quantificationwas performed using a matrix-matched calibration curve combined withinternal standard correction. A strong linear correlation was observedbetween PGR concentration and the peak area ratio, with a correlationcoefficient (<em>R</em><sup>2</sup>) exceeding 0.99. LOQswere lower than the lowest residue limits in EU pesticide regulation(10 μg/kg) for the majority of analytes. Results confirmed thatthe method can detect these residues, with matrix-matched calibrationsyielding acceptable recovery (70.1–119.8%) and precision (&lt;20%RSD). The method was applied to the 16 cultivated <em>R. glutinosa</em> samples, and a total of four compounds weredetected at concentrations ranging from 0.88 to 40.78 μg/kg.The results demonstrated that the method was simple, accurate, andreliable, making it suitable for detecting PGRs in <em>R. glutinosa</em>.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1822–1832"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148366470","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
Highlighting the Importance of Authentic Reference Chemicals in the Unambiguous Identification of Unknowns during Routine Sample Analysis─An OPCW Proficiency Test Case 强调在常规样品分析中明确识别未知物的真实对照化学品的重要性─一个禁化武组织能力测试案例。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-13 DOI: 10.1021/jasms.6c00191
Carolyn J. Koester, Teneile M. Alfaro, David S. Cho, Todd H. Corzett, Mark L. Dreyer, Saphon Hok, Derrick C. Kaseman, Adele F. Panasci-Nott, Alexander K. Vu, Armando Alcaraz, Carlos A. Valdez
{"title":"Highlighting the Importance of Authentic Reference Chemicals in the Unambiguous Identification of Unknowns during Routine Sample Analysis─An OPCW Proficiency Test Case","authors":"Carolyn J. Koester,&nbsp;Teneile M. Alfaro,&nbsp;David S. Cho,&nbsp;Todd H. Corzett,&nbsp;Mark L. Dreyer,&nbsp;Saphon Hok,&nbsp;Derrick C. Kaseman,&nbsp;Adele F. Panasci-Nott,&nbsp;Alexander K. Vu,&nbsp;Armando Alcaraz,&nbsp;Carlos A. Valdez","doi":"10.1021/jasms.6c00191","DOIUrl":"10.1021/jasms.6c00191","url":null,"abstract":"<p>The unequivocal identificationof unknown chemicals during routinesample analysis is a constant occurrence in the field of analyticalchemistry. The process can be painstakingly tedious, particularlyin situations where a tentatively identified unknown may possess isomericcounterparts yielding identical accurate mass values and very similarmass spectra. In this work, we present the experimental process involvedin the correct identification of 1,4-oxathiane 4,4-dioxide and differentiationfrom its constitutional isomer, 2-hydroxyethyl vinyl sulfone, whenpresent in a silica gel matrix featured in the 54th EnvironmentalOrganisation for the Prohibition of Chemical Weapons (OPCW) proficiencytest. After discovering that the library-generated mass spectrum for2-hydroxyethyl vinyl sulfone in a preliminary gas chromatography–massspectrometry (GC-MS) analysis did not match the one from an authenticreference chemical, we embarked on an unknown structure determinationcampaign involving GC-MS, liquid chromatography-tandem mass spectrometry(LC-MS-MS), and nuclear magnetic resonance (NMR) spectroscopy. Allof the information obtained, coupled to the synthesis of an authenticreference chemical, was used to determine the identity of the unknownas 1,4-oxathiane 4,4-dioxide. The process described in this work highlightsthe important role played by authentic reference chemicals in theidentification of unknown chemicals during routine sample analysis.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1718–1723"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148434577","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
Ambient Pressure Laser Desorption Ionization/Postphotoionization Mass Spectrometry Imaging 环境压力激光解吸电离/光电离后质谱成像。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-21 DOI: 10.1021/jasms.6c00002
Xiaobo Yao, Liutian Wu, Yaya Wang, Chunchun Lv, Keke Qi, Minggao Xu, Chengyuan Liu, Yang Pan
{"title":"Ambient Pressure Laser Desorption Ionization/Postphotoionization Mass Spectrometry Imaging","authors":"Xiaobo Yao,&nbsp;Liutian Wu,&nbsp;Yaya Wang,&nbsp;Chunchun Lv,&nbsp;Keke Qi,&nbsp;Minggao Xu,&nbsp;Chengyuan Liu,&nbsp;Yang Pan","doi":"10.1021/jasms.6c00002","DOIUrl":"10.1021/jasms.6c00002","url":null,"abstract":"<p>Postphotoionization has been demonstrated to be an effectivemethodto increase the ionization efficiency of laser desorption ionization.In order to scan samples with compact and hard characteristics fromthe front side, an ambient pressure laser desorption ionization incombination with a compact postphotoionization assembly (AP-LDI/PI)in reflection mode was developed. The effects of parameters, includinglaser energy, frequency, and stepper motor velocity, were carefullyinvestigated. The slices of mouse cerebellum were scanned by AP-LDI/PImass spectrometry in both positive and negative ion modes with a spatialresolution of 10 μm. In addition, the longitudinal sectionsof <em>Ginkgo biloba</em> were well imaged usingAP-LDI/PI with a spatial resolution of 15 μm. The spatial distributionsof metabolites, including ginkgo acids, choline, glutamate, and ethoxycoumarin,within the longitudinal sections of <em>Ginkgo biloba</em> were distinctly delineated.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1764–1772"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148534753","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
N-Glycan MALDI MSI Differentiates Kidney Glomerular Disease Phenotypes n -聚糖MALDI MSI鉴别肾小球疾病表型
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-22 DOI: 10.1021/jasms.6c00163
Aaron O. Angerstein, Vishwajeeth Pasham, Caroline Kittrell, Shana M. Coley, Tamara K. Nowling, Richard R. Drake
{"title":"N-Glycan MALDI MSI Differentiates Kidney Glomerular Disease Phenotypes","authors":"Aaron O. Angerstein,&nbsp;Vishwajeeth Pasham,&nbsp;Caroline Kittrell,&nbsp;Shana M. Coley,&nbsp;Tamara K. Nowling,&nbsp;Richard R. Drake","doi":"10.1021/jasms.6c00163","DOIUrl":"10.1021/jasms.6c00163","url":null,"abstract":"<p>Lupus nephritis (LN) and diabetic nephropathy (DN) areleadingcauses of kidney failure, characterized by distinct yet overlappingpatterns of glomerular injury. While histopathology remains centralto diagnosis, it provides limited insight into the underlying molecularremodeling. Here, we applied matrix-assisted laser desorption/ionizationmass spectrometry imaging (MALDI-MSI) to define the spatial N-glycanlandscape across human kidney biopsies from healthy controls (HCs)and patients with DN or LN. Whole-biopsy analyses demonstrated thatidentical N-glycan species adopt distinct spatial distributions dependingon the disease context. Healthy kidneys were enriched in bisectedN-glycans, DN in biantennary and sialylated species, and LN in fucosylatedand paucimannose N-glycans, reflecting divergent enzymatic and pathogenicpathways. Glomerulus-resolved analyses substantially enhanced discriminationamong disease groups, revealing previously undetected differencesand highlighting disease-specific molecular phenotypes that were maskedat the whole biopsy level. Notably, glomeruli classified as histologicallynormal exhibited distinct N-glycan signatures across disease states,indicating that molecular remodeling occurs independently of the overtstructural changes. Within biopsies, N-glycan class composition shiftedsystematically with glomerular injury, with DN displaying more uniformremodeling and LN demonstrating greater phenotypic heterogeneity.Mixed-effect modeling confirmed significant morphology-dependent differenceswhile accounting for biopsy-level clustering. MALDI-IHC analysis furthersupported phenotype-specific molecular differences across the glomerularsubtypes. Collectively, these findings establish glomerular N-glycanarchitecture as a major driver of glycomic divergence across kidneydiseases and position spatial N-glycomics as a translational approachfor defining disease-specific molecular signatures within intact renaltissues.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"1952–1963"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148547415","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
Making Ozonolysis Mass Spectrometry More Accessible: A Simple LC-OzESI-MS Workflow for Carbon–Carbon Double Bond Position Elucidation in Lipids and Natural Products 使臭氧溶解质谱分析更容易获得:一个简单的LC-OzESI-MS工作流程,用于碳-碳双键位置阐明在脂质和天然产物。
IF 2.9 2区 化学
Journal of the American Society for Mass Spectrometry Pub Date : 2026-08-05 Epub Date: 2026-07-25 DOI: 10.1021/jasms.6c00205
Fayaj A. Mulani, Ashraf M. Omar, Qibin Zhang
{"title":"Making Ozonolysis Mass Spectrometry More Accessible: A Simple LC-OzESI-MS Workflow for Carbon–Carbon Double Bond Position Elucidation in Lipids and Natural Products","authors":"Fayaj A. Mulani,&nbsp;Ashraf M. Omar,&nbsp;Qibin Zhang","doi":"10.1021/jasms.6c00205","DOIUrl":"10.1021/jasms.6c00205","url":null,"abstract":"<p>Elucidationof C═C unsaturation sites in biomolecules remainschallenging using conventional tandem mass spectrometry techniques.Online ozonolysis inside a mass spectrometer offers a very specificC═C fragmentation strategy; however, adoption of the precursor-selectiveozone-induced dissociation has been limited by its low reaction yieldsand the need for specialized mass spectrometers that can provide higherpartial pressure of ozone and/or modifications to enable effectiveion trapping. To make the online ozonolysis mass spectrometry moreaccessible, we present a setup in which ozone is introduced directlyinto the sheath gas line of a standard heated electrospray ionizationsource. This minimally modified online ozonolysis setup enables efficientinteraction of ozone with electrospray droplets at atmospheric pressurewhile maintaining normal instrument operation and safety. In combinationwith reversed-phase liquid chromatography separation, this setup isvery effective in annotating C═C positions in unsaturated biomoleculeswith just MS1 scanning by relying on the coelution of precursors andthe ozonolysis product ions. This approach was validated across multiplelipid classes─including fatty acids, glycerophospholipids,sphingolipids, glycerolipids, and cholesteryl esters─as wellas selected natural products, in complex mixtures and under both positiveand negative ion modes. Reaction yields varied among analytes yetremained sufficient for unambiguous C═C position assignment.This LC-OzESI-MS strategy provides an efficient and easily adoptableplatform for high-throughput structural characterization of unsaturatedbiomolecules, even in complex sample matrices.</p>","PeriodicalId":672,"journal":{"name":"Journal of the American Society for Mass Spectrometry","volume":"37 8","pages":"2003–2014"},"PeriodicalIF":2.9,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148590030","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信
小红书