Rapid Communications in Mass Spectrometry最新文献

{"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}

{"title":"Experimental Evaluation and Optimisation of Sealed-Tube Combustion Methods for Silicate Nitrogen Extraction","authors":"Fawn S. M. Holland,&nbsp;Sami Mikhail,&nbsp;Kirsten W. Y. Wong,&nbsp;Abu Saeed Baidya,&nbsp;Eva E. Stüeken","doi":"10.1002/rcm.70193","DOIUrl":"https://doi.org/10.1002/rcm.70193","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Nitrogen (N) abundance and isotopic compositions in silicate rocks are commonly measured by sealed-tube continuous-flow isotope ratio mass spectrometry (CF-IRMS), but combustion protocols vary widely. It remains uncertain how the quality of data obtained from different published methods compares for differing sample types.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>To address this uncertainty, nitrogen abundance ([N]) and isotopic composition (δ¹⁵N) were measured in granite, plagioclase, alkali feldspar and biotite using tube-cracker CF-IRMS with seven different combustion protocols: One followed a combined tube- and box-furnace method, whereas the other six used a simplified box-furnace-only approach, generally involving longer heating durations at lower temperatures.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>For granite, plagioclase, alkali feldspar and biotite, we successfully identified a method that does not require a 1200°C heating step in the tube furnace without negatively impacting N yield. For granitic rocks, in cases where the highest yield methods are unsuitable (i.e., due to low [N], high sample mass requirements or lower sample melting point), we propose a suitable alternative that requires corrections on the final measured value to account for incomplete N extraction.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>For sealed tube combustion paired with continuous-flow isotope ratio mass spectrometry, lower combustion temperatures typically reduce N extraction from silicate materials. However, increasing the combustion duration at temperatures equal to or below 1000°C can reduce, and in some cases eliminate, this yield difference.</p>\u0000 </section>\u0000 </div>","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.70193","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177386","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":"Migration Characteristics and Mechanism of Active Components From Jieyu Anshen Granule in Different Insomnia Mouse Models","authors":"Shiqi Yan,&nbsp;Mengting Lu,&nbsp;Ping Sun,&nbsp;Run Wan,&nbsp;Yong Ge,&nbsp;Jia Yan,&nbsp;Yuhang Zhang,&nbsp;Mo Sun,&nbsp;Xiang Xu,&nbsp;Yaoqun Wu,&nbsp;Chenning Zhang","doi":"10.1002/rcm.70195","DOIUrl":"10.1002/rcm.70195","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Insomnia is a highly prevalent disorder with substantial health and socioeconomic impacts, for which traditional Chinese medicine is an important treatment option. Jieyu Anshen Granule (JYAS-G) shows excellent clinical efficacy in insomnia treatment, but its active components, in vivo migration characteristics and underlying mechanisms remain unclear.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Two mouse insomnia models induced by p-chlorophenylalanine (PCPA, chemical method) and sleep deprivation machine (SDM, physical method) were established respectively, and mice were administered with low and high doses of JYAS-G, with open field test used to evaluate the pharmacodynamic effects. UHPLC-Q-Orbitrap-MS combined with GNPS was applied to systematically identify the in vitro components of JYAS-G and its migration profiles in mouse plasma, liver, heart, prefrontal cortex, hippocampus, and hypothalamus.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The SDM model induced insomnia with manic-like behaviors, which were significantly ameliorated by JYAS-G, whereas the PCPA model produced no significant insomnia-like phenotypes under the current conditions. In total, 89 in vitro components and 43 blood-absorbed components of JYAS-G were identified, showing marked tissue-specific distribution. Network pharmacology and molecular docking identified core components, including furanogermenone and curcumenol, predicted to exert anti-insomnia effects by targeting ADORA2A, GABRB3, and SLC6A4 and regulating the neuroactive ligand-receptor interaction pathway.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>This study characterizes the in vivo migration characteristics of JYAS-G and provides insights into its multi-target anti-insomnia mechanism, while comparing the modeling differences between two common insomnia animal models. These findings provide scientific evidence for the rational clinical application and further development of JYAS-G.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149163364","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":"Unbalanced Driving Voltages in a Quadrupole Mass Filter","authors":"Pavel V. Bugrov,&nbsp;Alexey A. Sysoev,&nbsp;Andrey N. Konenkov,&nbsp;Nikolai V. Konenkov","doi":"10.1002/rcm.70196","DOIUrl":"10.1002/rcm.70196","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>In the development of quadrupole mass spectrometers, there is a growing interest in understanding the modified first stability region under conditions of unbalanced DC and RF voltages.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Based on the properties of the solution to the Dirichlet problem for the Laplace equation, the potentials on the orthogonal rod pairs of a quadrupole mass filter were determined. The trajectory method was employed to calculate the stability regions and transmission contours.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The equations of ion motion were derived in the presence of DC and RF voltage amplitude imbalances. First stability region diagrams were constructed for conditions involving asymmetry in RF and DC voltage amplitudes, as well as RF phase shifts.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178369","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 Metabolomics and Network Pharmacology Approach Using LC–MS to Investigate the Mechanisms of Fufang Ejiao Jiang in Treating Chemotherapy-Induced Myelosuppression","authors":"Mingxin Guo,&nbsp;Yingjie Liu,&nbsp;Zhiqiang Hu,&nbsp;Ying Du","doi":"10.1002/rcm.70194","DOIUrl":"10.1002/rcm.70194","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Objective</h3>\u0000 \u0000 <p>This study aimed to investigate the mechanism and pharmacologically active compounds of Fufang Ejiao Jiang (FFEJJ) in the prevention and treatment of myelosuppression after chemotherapy (MAC) through a combination of serum metabolomics and network pharmacology.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>Sprague Dawley rats were randomly assigned to three groups: the blank group, the model group, and the FFEJJ group (10.8 g/kg). A MAC rat model was induced using cyclophosphamide. Simultaneously with model establishment, rats were intragastrically administered once daily for 15 consecutive days. The routine blood parameters of the rats were measured, and pathological changes in the spleen and bone marrow were observed. Nontargeted serum metabolomics was employed to identify differential metabolites associated with MAC and their related pathways. Liquid chromatography-mass spectrometry (LC–MS) was used to analyze the chemical composition of FFEJJ, and its mechanism and pharmacologically active compounds in the treatment of MAC were further predicted using network pharmacology.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>FFEJJ significantly improved the hematopoietic function of bone marrow in the MAC model rats. Compared to the blank group, the model group exhibited obvious spleen injury and bone marrow disorder, with noticeable fatty infiltration in the bone marrow cavity. Following FFEJJ treatment, the condition of spleen tissue and bone marrow in MAC rats was significantly improved. Serum metabolomics analysis of endogenous metabolites identified 14 differential metabolites associated with the MAC mechanism in both positive and negative ion modes, primarily involving pathways such as aminoacyl-tRNA biosynthesis, primary bile acid biosynthesis, and unsaturated fatty acid biosynthesis. Using LC–MS, 31 components were identified in FFEJJ. Network pharmacology predictions suggest that the potential pharmacologically active compounds of FFEJJ in the treatment of MAC include apigenin, oleanolic acid, maslinic acid, and azelaic acid. The underlying mechanism may be partly associated with the phosphatidylinositol 3-kinase/serine-threonine kinase (PI3K-Akt) signaling pathway.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusion</h3>\u0000 \u0000 <p>FFEJJ promotes hematopoietic recovery in MAC rats, likely by regulating endogenous metabolic disorders. Apigenin, oleanolic acid, maslinic acid, and azelaic acid are predicted to be multitarget active compounds, with PI3K-Akt signaling as a candidate pathway.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149163791","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":"Development and Validation of a Stability-Indicating UPLC-PDA Method for Fruquintinib: LC-QTOF-MS/MS-Based Structural Characterization of Degradation Products and In Silico ADMET Prediction","authors":"Shuvam Nayak,&nbsp;Vishal D. Labhade,&nbsp;Bhakti Umesh Hirlekar,&nbsp;Shashank Tewari,&nbsp;Sachin Dattram Pawar","doi":"10.1002/rcm.70191","DOIUrl":"10.1002/rcm.70191","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Fruquintinib (FRQ) is a recently approved drug for the treatment of metastatic colorectal cancer. To date, only a limited number of studies have investigated the stability-indicating analysis of FRQ. Understanding its degradation pathways is essential for ensuring drug quality and safety, for regulatory compliance and for providing valuable insights into pharmaceutical development and quality control.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>FRQ was subjected to acid, base, oxidative, neutral, thermal, and photolytic stress as per ICH Q1A(R2). A stability-indicating UPLC-PDA method was developed on a Waters BEH C18 column (2.1 × 50 mm, 1.7 μm) with gradient elution using a mobile phase of 10 mM ammonium acetate (pH 3.5) and acetonitrile. Degradants were characterized by LTQ-XL ion-trap MS and LC-QTOF-MS/MS, followed by silico ADMET prediction.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The method is developed and validated in accordance with the ICH Q2(R2) guidelines. Forced degradation of FRQ under acidic, basic and oxidative stress conditions generated two common degradation products, DP-1 (<i>m</i>/<i>z</i> 207.0756) and DP-2 (<i>m</i>/<i>z</i> 221.0900), common to all three stress conditions, in addition to one degradation product specific to the oxidative pathway; FRQ was stable under neutral, thermal and photolytic conditions. The two major degradation products are identified and characterized by LC-QTOF-MS/MS. Out of two DPs, the DP-2 product has not been reported previously. ADMET prediction indicated acceptable pharmacokinetic properties but flagged potential drug–drug interaction risk.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The developed UPLC-PDA method provides a robust stability-indicating method for FRQ and enables comprehensive characterization of its degradation products. The discovery of the novel degradation product DP-2 expands current knowledge of FRQ degradation chemistry, whereas the combined analytical and in silico findings support pharmaceutical quality assessment, regulatory evaluation, and future safety investigations.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149101833","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":"Calcium Isotopic Composition in Reindeer (Rangifer tarandus) Bones and Tooth Enamel: A Scalable Tool to Quantify Nursing Frequency in Past and Modern Populations?","authors":"Auguste Hassler,&nbsp;Eve E. Lindroos,&nbsp;Lu Yang,&nbsp;Zoltan Mester,&nbsp;Kate Britton,&nbsp;Clément P. Bataille","doi":"10.1002/rcm.70178","DOIUrl":"10.1002/rcm.70178","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Populations of North American caribou and Eurasian reindeer (<i>Rangifer tarandus sspp</i>.), essential for Arctic ecosystems and human communities, are experiencing unprecedented declines due to climate change and anthropogenic pressures. While understanding their historical resilience and demographic dynamics is critical for conservation, long-term population trends and the mechanisms driving these declines remain partly unresolved.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>This study explores if calcium (Ca) isotopic compositions (δ^44/42Ca) measured by MC-ICP-MS could help quantify the number of nursing periods experienced by female reindeer during their lifetimes, as proxy for monitoring fecundity throughout the Quaternary. This pilot study focuses on five reindeer specimens who lived in controlled environmental conditions with documented life histories (including periods spent nursing). Skeletal elements with specific mineralization timings (molars and jawbones) were targeted to help untangle the effect of nursing from confounding factors, such as specimen specific diet and physiological baselines.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Despite this sampling approach, no clear effect of nursing was observable in jawbones δ^44/42Ca values. We hypothesize that this may be the consequence of differences in experienced nursing activity and isotopic fractionation compared to other cases from the literature or of a faster than expected turnover rate of Ca in <i>Rangifer</i> jawbones. In parallel, insights of age-related Ca imbalance from an undiagnosed pathology (e.g., osteoporosis) were found in one specimen, while generated data also provide complementary perspectives for investigating seasonal diet and weaning habits in <i>Rangifer</i>.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>While exploring past fecundity might prove difficult using this approach, these results are promising regarding the study of paleo-diet and pathology. A path for future methodological improvements to address the shortcomings of our approach is outlined. This work notably underscores the urgent need for better quantifying elemental turnover rates in bones and for more controlled environment studies, two critical steps to develop robust geochemical proxies for wildlife conservation and paleoecology.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 23","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13633503/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149101863","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":"Design Improvements of a High-Efficiency Cavity Ion Source for Enhanced Uranium Sensitivity and Mass Fractionation Studies Using TIMS","authors":"Varun Kant Yadav,&nbsp;R. K. Bhatia,&nbsp;A. Singh,&nbsp;Rabi Datta,&nbsp;M. M. Gulhane,&nbsp;E. Ravisankar,&nbsp;R. D. Phulsundar,&nbsp;K. G. Bhushan","doi":"10.1002/rcm.70184","DOIUrl":"10.1002/rcm.70184","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Thermal ionization mass spectrometry (TIMS) integrated with a high-efficiency cavity ion source (CIS) has emerged as a promising analytical tool for precise isotope ratio measurements and trace elemental analysis in nuclear science. Operation with high ionization potential (HIP) elements such as uranium requires higher cavity temperatures and emission currents. This caused glow discharge, thermal instability, localized overheating, and degradation of ion beam stability during prolonged operation. This necessitates a detailed approach for further enhancement of source performance and operational stability.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>The CIS was systematically redesigned for HIP elements through detailed engineering optimization of the cavity geometry, thermionic filament dimension, ion extraction configuration, and shielding electrode design to achieve stable ion beam generation. The optimized CIS assembly was then integrated with indigenous magnetic sector TIMS platform. After that, its analytical performance was systematically evaluated relative to a conventional thermal ionization source (TIS) configuration operated under same experimental conditions. Comparative measurement was carried out in terms of analytical sensitivity (the total detected ion signal per unit sample loading). Also, the time-dependent instrumental mass fractionation behavior and long-term ion beam stability study were carried out.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>The design improvements and systematic optimization of the CIS showed nearly an order of magnitude increase in analytical sensitivity for uranium together with a ~1%–2% improvement in mass fractionation stability relative to the conventional TIS configuration.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>The design improvements carried out in the CIS configuration resulted in higher analytical sensitivity and better resistance to systematic isotopic drift during uranium measurements. This established the CIS TIMS platform as an effective and high-performance analytical tool. It useful for precise actinide isotope ratio measurements relevant to nuclear safeguards, nuclear forensics, and trace isotopic analysis.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 24","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149079198","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":"Influence of Geometrical Asymmetry on the Performance of a Digitally Driven Quadrupole Mass Filter","authors":"Brotin Taraphdar,&nbsp;Sukanya Jana,&nbsp;Pintu Mandal,&nbsp;Nabanita Deb","doi":"10.1002/rcm.70190","DOIUrl":"10.1002/rcm.70190","url":null,"abstract":"<div>\u0000 \u0000 \u0000 <section>\u0000 \u0000 <h3> Rationale</h3>\u0000 \u0000 <p>Digital (rectangular-wave) mode has emerged as an attractive alternative to conventional sinusoidal operation in quadrupole mass filters because of its simplified electronics and enhanced operational flexibility. However, the influence of geometrical imperfections on digitally driven quadrupole mass filters and the resulting consequences for ion transmission and mass resolving power remain largely unexplored.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Methods</h3>\u0000 \u0000 <p>The transmission characteristics of a digitally driven quadrupole mass filter operating in the first stability zone were investigated using SIMION simulations. Controlled radial asymmetry was introduced through single-rod radius variation, single-rod displacement, diagonal rod-pair radius variation, and diagonal rod-pair displacement. Stability, transmission characteristics, and resolving power were evaluated for different degrees of asymmetry and for both initial high and low states of the applied rectangular waveform.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Results</h3>\u0000 \u0000 <p>Radial asymmetry consistently degraded transmission efficiency and mass resolving power in all four asymmetric configurations, demonstrating the detrimental influence of geometry-induced higher order spatial harmonic field components. In addition, the performance was found to depend strongly on the initial state of the applied RF pulse, with significant changes in transmission profiles, peak widths, and resolving power. Under single-rod radius variation, the transmission peak splits for a specific initial pulse state and is correlated with a bifurcation of the stability region.</p>\u0000 </section>\u0000 \u0000 <section>\u0000 \u0000 <h3> Conclusions</h3>\u0000 \u0000 <p>Geometrical asymmetry systematically degrades the performance of digitally driven quadrupole mass filters, while the initial pulse state introduces an additional operational parameter that influences transmission and resolving power. These findings establish practical constraints on maintaining symmetry in both rod geometry and spatial positioning, as well as on synchronizing ion injection with the driving RF pulse, and provide new insight into the interplay between higher order multipole fields and digital QMF operation.</p>\u0000 </section>\u0000 </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"40 23","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149035633","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}