Rapid Communications in Mass Spectrometry最新文献

{"title":"Systematic Characterization of the Chemical Constituents In Vitro and In Vivo of Angelicae Dahuricae Radix-Puerariae Lobatae Radix Herb Pair by UPLC-Orbitrap-MS/MS","authors":"Meng Liu,&nbsp;Yipeng Zhao,&nbsp;Xingjian Tian,&nbsp;Dan Zhang,&nbsp;Rongrong Zheng,&nbsp;Lexin Shu,&nbsp;Yu Guo,&nbsp;Lili Song,&nbsp;Jia Shao,&nbsp;Jinxia Wei,&nbsp;Yubo Li","doi":"10.1002/rcm.70204","DOIUrl":"10.1002/rcm.70204","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Migraine is a neurological disorder characterized by recurrent headache attacks. <i>Angelicae Dahuricae</i> Radix (ADR) and <i>Puerariae Lobatae</i> Radix (PLR) constitute a traditional herb pair commonly used for the treatment of migraine. However, their chemical constituents and plasma-absorbed components have not been fully characterized.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Ultra-high-performance liquid chromatography coupled with Orbitrap tandem mass spectrometry (UPLC-Orbitrap-MS/MS), combined with a self-constructed compound database and Xcalibur software, was employed to systematically characterize the chemical constituents of the ADR-PLR herb pair and the absorbed components detected in rat plasma following intragastric administration. The MS/MS fragmentation pathways of representative compounds were also investigated.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>A total of 111 chemical constituents were characterized in the ADR-PLR herb pair, including 31 coumarins, 61 flavonoids and their glycosides, 9 organic acids, 5 other glycosides, and 5 other compounds. A total of 21 prototype components were detected in rat plasma, of which 8 were derived from ADR and 13 from PLR.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This study systematically characterized the chemical constituents and plasma-absorbed prototype components of the ADR-PLR herb pair, providing a chemical basis for further investigation of its antimigraine mechanisms.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149340033","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":"Discrimination of Synthetic and Natural Caffeine by Carbon and Nitrogen Stable Isotope Ratio Analysis Utilizing GC-C-IRMS","authors":"Nitzan Yanay,&nbsp;Dana Rothwein,&nbsp;Damien Gadomski,&nbsp;Sheel Prajapati,&nbsp;Raquel Angulo Morales","doi":"10.1002/rcm.70201","DOIUrl":"https://doi.org/10.1002/rcm.70201","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Caffeinated drinks and supplements are popular products, many of which claim to use naturally derived caffeine. The availability of less expensive synthetic caffeine can motivate adulteration. Additionally, the caffeine content of these products can be inaccurately labeled, raising health concerns. As a result, effective testing methods are required to distinguish synthetic and natural caffeine and to test caffeine content in complex matrixes. In this study, a stable isotope method for natural caffeine authentication is described and applied to commercial samples. The accuracy of labeled caffeine content of products is evaluated.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Samples containing exclusively natural caffeine (i.e., coffee, tea, guarana, yerba mate) and synthetic caffeine were selected. Commercial products claiming to contain natural caffeine including supplements, energy drinks, and guarana products were also tested. Caffeine was extracted by incubation with a water-ammonium hydroxide mixture and phase separation with dichloromethane. Its carbon and nitrogen stable isotope composition was determined using GC-C-IRMS. Caffeine content was determined by HPLC-DAD.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Natural and synthetic caffeine could be distinguished, with some limitations, based on carbon (δ¹³C) and nitrogen (δ¹⁵N) isotopes. Based on this distinction, 15 of the 75 commercial samples labeled as containing natural caffeine were adulterated. The rate of apparent adulteration was high in guarana products (~78%) and supplements (~22%). Caffeine content deviating from label claim by more than ±20% was observed in 46% of the 86 samples tested, ranging from 57% to 217% of the labeled content.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Carbon and nitrogen isotope ratio analysis by gas chromatography-combustion-isotope ratio mass spectrometry is an efficient method for distinguishing natural and synthetic caffeine in commercially available products. Such testing is important given the significant number of apparently mislabeled products on the USA market. The prevalence of inaccurate caffeine content labeling may raise health concerns, highlighting the need for better production quality control and increased testing.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 2","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149311194","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":"Correction to “Petroleomic by Mass Spectrometry of Geochemical Biomarkers of Polar and Nonvolatile Crude Oil Fractions: Fourier Transform Ion Cyclotron Resonance Versus High-Field Orbitrap”","authors":"","doi":"10.1002/rcm.70205","DOIUrl":"10.1002/rcm.70205","url":null,"abstract":"<p>L. F. C. Oliveira, J. J. Melendez-Perez, S. E. B. M. Lutzer, A. Sussulini, and M. N. Eberlin, “Petroleomic by Mass Spectrometry of Geochemical Biomarkers of Polar and Nonvolatile Crude Oil Fractions: Fourier Transform Ion Cyclotron Resonance Versus High-Field Orbitrap,” <i>Rapid Communications in Mass Spectrometry</i> 40, no. 6 (2026): e70024, https://doi.org/10.1002/rcm.70024.</p><p>In the above article, the Acknowledgment and Funding sections were incomplete. The updated Acknowledgment and Funding sections are shown below:</p><p>This work was supported by the Petrobras Research, Development and Innovation Center, and Brazilian company Petrobras CENPES/Petrobras, Petroleum, Natural Gas and Biofuels, National Agency (ANP), research foundation MackPesquisa, São Paulo Research Foundation (FAPESP) (2023/01800-2, 2025/26623-1 and 2025/13766-9) and the Brazilian National Council of Scientific and Technologic Development (CNPq) (306662/2022-1 and 408338/2024-5).</p><p>We apologize for these errors.</p>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.70205","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149316530","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":"TIMS Techniques for Measuring Strontium Isotope Ratios in Apatite Grains and Application to Igneous Rock Petrology","authors":"Carla Neto,&nbsp;Claudio de Morisson Valeriano,&nbsp;Gabriel Paravidini,&nbsp;Henrique Bruno,&nbsp;Manuela Carvalho,&nbsp;Rasec Almeida,&nbsp;Caroline Peixoto,&nbsp;Samuel Bersan,&nbsp;Mariana Carvalho,&nbsp;Monica Heilbron","doi":"10.1002/rcm.70202","DOIUrl":"https://doi.org/10.1002/rcm.70202","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>This study evaluates the potential of Sr isotopic compositions in apatite grains from magmatic rocks as a proxy for initial ⁸⁷Sr/⁸⁶Sr ratios, addressing the need for alternative approaches to conventional whole-rock analyses in isotopic studies of granitoid systems.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Chemical and spectrometric procedures were optimized and validated for the determination of Sr isotopic ratios in apatite by TIMS. Three representative samples from the Ribeira Orogen, Brazil, were selected, and apatite Sr isotopic compositions were compared with initial whole-rock ⁸⁷Sr/⁸⁶Sr ratios calculated from U–Pb zircon crystallization ages, whole-rock isotopic ratios, and Rb and Sr concentrations. The reliability of the analytical approach was evaluated using the EN-1 and Durango apatite reference materials.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Apatite grains yielded Sr concentrations ranging from 80 to 950 μg g⁻¹, with total Sr masses between 0.5 and 50 ng. Comparisons between apatite-derived and whole-rock initial ⁸⁷Sr/⁸⁶Sr ratios show isotopic variability below 0.05%, indicating high analytical precision. Validation results demonstrate consistent agreement between methods, with uncertainties within 0.5%.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The proposed TIMS-based method for Sr isotope analysis in apatite grains provides a potential approach for investigating the initial Sr isotopic compositions of granitoid magmatic systems. This approach represents a cost-effective and time-efficient alternative to traditional whole-rock analyses, with strong potential for large-scale isotopic applications in orogenic terrains.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.70202","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149258703","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":"Long-Term Performance and Bulk-Isotope Effects in Methane Clumped-Isotope Measurements Using a 253 Ultra HR-IRMS","authors":"Naizhong Zhang,&nbsp;Alexis Gilbert,&nbsp;Mayuko Nakagawa,&nbsp;Jakub Surma,&nbsp;Jan G. C. Meissner,&nbsp;Joachim Mohn,&nbsp;Stefano M. Bernasconi,&nbsp;Yuichiro Ueno,&nbsp;Naohiro Yoshida","doi":"10.1002/rcm.70198","DOIUrl":"https://doi.org/10.1002/rcm.70198","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Changes in instrument condition over time may affect methane clumped-isotope measurements, requiring long-term monitoring of calibration performance. Whether the 253 Ultra calibration framework remains valid over multiyear operation and applicable across natural bulk-isotope compositions, particularly to low-δD methane with weak ¹²CH₂D₂ signals, has not been systematically evaluated.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Long-term performance of the Science Tokyo 253 Ultra was evaluated from 2019 to 2026 using reference-gas zero tests, repeated working-gas measurements, and independently prepared equilibrated methane gases. Equilibrated gases with different δ¹³C and δD compositions were used to test for possible bulk-isotope dependence in Δ¹³CH₃D and Δ¹²CH₂D₂ measurements. External consistency was assessed using nine shared methane gases measured across seven laboratories with 253 Ultra HR-IRMS, Panorama HR-IRMS, and mid-infrared laser spectroscopy.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Reference and working gases showed no temporal drift, and equilibrated gases measured from 2021 to 2026 remained consistent with the calibration framework established in 2020. No systematic dependence of Δ¹³CH₃D or <span>Δ</span>¹²CH₂D₂ on either δ¹³C or δD was resolved, including for equilibrium gases with δD values as low as −335‰. Science Tokyo measurements were generally consistent with results from other laboratories across a wide range of bulk-isotope compositions and nonequilibrium clumped-isotope signatures.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The calibration framework established for methane clumped-isotope measurements with the Science Tokyo 253 Ultra HR-IRMS remained stable and applicable over multiple analytical campaigns. Validation measurements and interlaboratory comparisons demonstrated consistent results across a broad range of methane bulk-isotope compositions, without the need for campaign-specific or additional bulk-isotope–dependent corrections, with δD values extending down to −335‰.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.70198","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149258492","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":"Effects of Pretreatment on the Isotopic Composition of Structural Carbonate in Ray-Finned Fish Teeth","authors":"Toshikazu Furuya,&nbsp;Kazuki Yokouchi,&nbsp;Taiga Okumura,&nbsp;Kotaro Shirai","doi":"10.1002/rcm.70200","DOIUrl":"10.1002/rcm.70200","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>The carbon and oxygen stable isotope ratios (δ¹³C and δ¹⁸O) of carbonate contained in fish tooth dentin have the potential to offer insights into environmental and ecological conditions, making them promising targets for analysis in fossil specimens. However, the tooth dentin of extant specimens contains significant amounts of organic matter that can decompose or produce gases that interfere with isotope measurements. Therefore, a well-developed pretreatment protocol for removing organic components prior to isotopic analysis is essential.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>In this study, we developed pretreatment methods for removing organic matter to enable the isotopic analysis of structural carbonates in tooth dentin. Using teeth of the half-smooth golden pufferfish (<i>Lagocephalus spadiceus</i>) as specimens, we applied a total of eight physical and chemical pretreatment protocols and evaluated their effects on carbonate isotopic composition.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Treatments with neutral or alkaline pancreatin solutions effectively removed organic matter without altering the δ¹³C values of the carbonate. In contrast, no pretreatment method was identified that kept δ¹⁸O values entirely unaffected. However, treatment with the neutral pancreatin solution resulted in sufficient removal of organic matter and only minimal, consistent changes in δ¹⁸O.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Treatments with neutral or alkaline pancreatin solutions are recommended for the analysis of δ¹³C in carbonate within dentin. Although no method for ideal organic matter removal without changing δ¹⁸O values was identified, treatment with neutral pancreatin solution is recommended as the second-best option. Because of the small and consistent change in δ¹⁸O, it is possible to correct for δ¹⁸O alterations induced by pretreatment.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.70200","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149242283","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":"UPLC-Q-Exactive-Orbitrap-MS Identification and Network Pharmacology of Jianpixiaocuo Capsule for Acne","authors":"Zhanlu Yang,&nbsp;Wenli Ma,&nbsp;Ruhong Gao,&nbsp;Fengxia Lian","doi":"10.1002/rcm.70192","DOIUrl":"10.1002/rcm.70192","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Objective</h3>\u0000 \u0000 <p>This study aims to elucidate the chemical composition of Jianpixiaocuo Capsule using UPLC-Q-Exactive-Orbitrap-MS and to explore its active ingredients, targets, and mechanisms in the treatment of acne vulgaris associated with spleen-stomach damp-heat syndrome through network pharmacology, molecular docking, and animal model validation.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>The study identified chemical constituents with UPLC-Q-Exactive-Orbitrap-MS and predicted active ingredients and targets using databases like Traditional Chinese Medicine Systems Pharmacology (TCMSP), HERB, SwissADME, and SwissTargetPrediction. Acne-related targets were gathered from GeneCards, OMIM, and DisGeNET. Intersecting targets were used to build a protein–protein interaction (PPI) network via STRING to find core targets, which underwent GO/KEGG enrichment analysis and molecular docking with AutoDock Vina. An in vivo rat model of acne with spleen-stomach damp-heat syndrome was created for validation using histological analysis, serum cytokine measurement, and skin lesion scoring.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Mass spectrometry identified 648 components in 18 categories, mainly terpenoids, flavonoids, and phenolic acids. Analysis found 705 capsule targets and 2014 disease-related targets, with 217 overlaps. Core targets TNF, IL6, MAPK1, AKT1, and CXCL8 are linked to inflammation, sebum metabolism, and keratinization, enriched in NF-κB, IL-17, PI3K-Akt, and MAPK pathways. Quercetin and baicalin showed strong binding to these targets. In vivo tests confirmed the capsule's effectiveness, reducing skin inflammation and TNF-<i>α</i>, IL-6, IL-1<i>β</i> levels, and altering MAPK/NF-κB protein expression.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>The Jianpixiaocuo Capsule, rich in terpenoids and flavonoids, effectively treats acne vulgaris linked to spleen-stomach damp-heat syndrome by modulating inflammation and sebum metabolism through a multicomponent, multitarget approach.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149236272","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":"Appearance Energies of Fluorinated and Fluorine-Free Fragment-Ion Series Formed by Electron Ionization of 2-Fluoropyridine","authors":"Jędrzej Górny,&nbsp;Tomasz J. Wasowicz","doi":"10.1002/rcm.70199","DOIUrl":"10.1002/rcm.70199","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Electron-impact ionization and fragmentation of pyridine have been investigated extensively, whereas systematic appearance-energy data for fluorinated pyridines are scarce. In particular, the appearance energies of the principal high-mass fragment ions of 2-fluoropyridine have not been reported.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Energy-resolved electron-impact mass spectrometry was used to record ion-yield curves of 2-fluoropyridine between 5 and 45 eV. Appearance energies were obtained by fitting the threshold regions with the ThreSpect program using the Wannier threshold law convoluted with the experimental electron-energy distribution. Mass spectra were also recorded at 100 eV.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Appearance energies were determined for the fluorinated (C₅H_xFN⁺) and fluorine-free (C₅H_xN⁺) fragment-ion series (<i>x</i> = 0–4), allowing their systematic comparison. The fluorinated series showed a nonmonotonic variation in appearance energies with decreasing hydrogen content, whereas the fluorine-free series showed an almost monotonic increase after the first two members of the series. Two appearance thresholds were observed for the C₅N⁺ ion. Comparison with pyridine showed that fluorine substitution changes the appearance energies of individual fragment ions without producing a uniform energetic shift.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The appearance energies reported here provide the first systematic data for the principal fluorinated and fluorine-free high-mass fragment ions of 2-fluoropyridine. Fluorine substitution changes the energetics of high-mass fragmentation without changing the principal fragmentation pattern.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149236337","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":"Targeted and Non-Targeted Analysis of Novel and Legacy Per and Polyfluoroalkyl Substances in River Water by Direct Analysis in Real Time Mass Spectrometry","authors":"Amie C. McElroy,&nbsp;Abigail M. Waldron,&nbsp;Austin L. Coleman,&nbsp;Caroline O. Granger,&nbsp;Steven M. E. Demers,&nbsp;Danielle R. Mannion,&nbsp;Joseph M. Mannion","doi":"10.1002/rcm.70187","DOIUrl":"10.1002/rcm.70187","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Because of their ubiquity in the environment and adverse health effects, per and polyfluoroalkyl substances (PFAS) are a growing area of concern to the public and regulatory agencies. The continued development of novel replacement PFAS necessitates the development of new methods to screen for these compounds. In this work, we demonstrate a method to detect multiple classes of PFAS including legacy PFAS, precursor compounds, and replacement compounds.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Compounds were adsorbed to octadecylamine then analyzed by direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry. Sixteen PFAS were analyzed from six distinct classes including perfluorinated carboxylic acids (PFCAs), perfluorinated sulfonic acids (PFSAs), per and polyfluoroalkyl ether carboxylic acids (PFECAs), polyfluoroalkyl ether sulfonic acids (PolyFESAs), fluorotelomer alcohol (FTOH), and perfluorooctane sulfonamidoacetic acid (FOSAA). These represent the classes considered in EPA method 537.1 and an additional important precursor class.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>All six of the compound classes considered were successfully detected with this DART high resolution mass spectrometry (HRMS) method. Calculated lower limits of quantification ranged from 10 to 300 ng/L and were influenced by water matrix. The use of DART avoided instrumental background from solvents and tubing which is an established issue in liquid chromatography (LC) methods. DART–HRMS was also found to avoid false positives from compounds of similar molecular weights present in natural waters.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The findings of this work fill an important gap in PFAS analysis by enabling screening for many known classes of PFAS. Furthermore, this method is anticipated to be able to analyze additional classes of PFAS as future replacement chemicals are produced, allowing for a more comprehensive analysis to be completed.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149190457","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":"Correction to “Design Improvements of a High-Efficiency Cavity Ion Source for Enhanced Uranium Sensitivity and Mass Fractionation Studies Using TIMS”","authors":"","doi":"10.1002/rcm.70197","DOIUrl":"https://doi.org/10.1002/rcm.70197","url":null,"abstract":"<p>\u0000 <span>Yadav, VK</span>, <span>Bhatia, RK</span>, <span>Singh, A</span>, et al., <span>Design Improvements of a High-Efficiency Cavity Ion Source for Enhanced Uranium Sensitivity and Mass Fractionation Studies Using TIMS</span>. <i>Rapid Communications in Mass Spectrometry.</i> <span>2026</span>; <span>40</span>(<span>24</span>):e70184, https://doi.org/10.1002/rcm.70184.\u0000 </p><p><b>FIGURE 2.</b> (b) CIS illustrating enhanced atom surface interactions within the cavity geometry. The extracted ion beam is focused through the ion optics system (1-D, 2-Y, and 3-Z lenses). Later dispersed by the magnetic sector analyzer according to m/z, and focused onto the respective faraday collectors using zoom electrostatic optics.</p><p>We apologize for this error.</p>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"41 1","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/rcm.70197","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177387","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}