Journal of Analytical Atomic Spectrometry最新文献

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An improved radioisotope-based X-ray fluorescence system for the in vivo measurement of bone strontium†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-03-05 DOI: 10.1039/D4JA00464G
Laura M. Bickley, Eric Da Silva, David R. Chettle and Fiona E. McNeill
{"title":"An improved radioisotope-based X-ray fluorescence system for the in vivo measurement of bone strontium†","authors":"Laura M. Bickley, Eric Da Silva, David R. Chettle and Fiona E. McNeill","doi":"10.1039/D4JA00464G","DOIUrl":"https://doi.org/10.1039/D4JA00464G","url":null,"abstract":"<p >High levels of strontium can cause impaired bone growth in children, and excess mortality in animals, but at low doses there are no known toxic effects in humans. Strontium is purported to be beneficial for post-menopausal bone density loss and strontium citrate is used as a nutritional supplement by some women. This article describes development of a system to monitor bone strontium levels quickly and accurately for use in the health risk assessment of self-administered strontium supplements. Previous radioisotope-based strontium measurements take up to 30 minutes for measurements and are not portable. The new system is comprised of a silicon drift detector (SDD) with a <small><sup>109</sup></small>Cd source in a 180° backscatter geometry. Novel anthropomorphic phantoms were developed for system calibration from 3D printed PLA shells with strontium-doped hydroxyapatite cores. The system performance was investigated using two sources of different reported activity. During development, it was noted that while one <small><sup>109</sup></small>Cd source did emit an order of magnitude higher 88 keV γ-rays than the other, it did not emit an order of magnitude greater fluence of silver X-rays. This is attributed to differences in source encapsulation. This lower-than-expected X-ray fluence meant that the best minimum detectable limit (MDL) was determined to be 22 μg Sr per g Ca for a 30 minutes measurement. However, low system dead times indicated that the system was not used at maximum throughput, and it is predicted that with higher fluence silver X-ray sources, the system could achieve a minimum detectable limit of 7 μg Sr per g Ca.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 1086-1097"},"PeriodicalIF":3.1,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ja/d4ja00464g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761616","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
Xenotime Xtm-NHBS: a natural reference material for microbeam U–Pb/Lu–Hf geochronology†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-03-04 DOI: 10.1039/D5JA00013K
Shuya Zhang, Yueheng Yang, Shitou Wu, Jiarun Tu, Lei Xu, Hao Wang, Liewen Xie, Chao Huang, Jinhui Yang and Fuyuan Wu
{"title":"Xenotime Xtm-NHBS: a natural reference material for microbeam U–Pb/Lu–Hf geochronology†","authors":"Shuya Zhang, Yueheng Yang, Shitou Wu, Jiarun Tu, Lei Xu, Hao Wang, Liewen Xie, Chao Huang, Jinhui Yang and Fuyuan Wu","doi":"10.1039/D5JA00013K","DOIUrl":"https://doi.org/10.1039/D5JA00013K","url":null,"abstract":"<p >Xenotime is a common mineral found in various rock types, including magmatic, metamorphic, and sedimentary rocks. It is typically characterised by high uranium (U) and thorium (Th) content, with minimal common lead (Pb), making it an excellent candidate for U–Pb dating. However, the limited availability of well-characterised U–Pb xenotime reference materials (<em>e.g.</em>, BS-1 and MG-1) has hindered its wide application in microanalysis. With the rapid advancements in laser ablation inductively coupled plasma tandem mass spectrometry (LA-ICP-MS/MS), the demand for xenotime reference materials, particularly for <em>in situ</em> Lu–Hf geochronology, has grown significantly. This study presents the characterisation and assessment of Xtm-NHBS xenotime as a potential primary U–Pb reference material for microanalysis. U–Pb isotopic analyses were performed using isotope dilution thermal ionisation mass spectrometry (ID-TIMS) and laser ablation quadrupole/sector field inductively coupled plasma mass spectrometry (LA-Q/SF-ICP-MS) to evaluate the homogeneity of gem-quality xenotime crystals. The ID-TIMS analysis yielded a <small><sup>206</sup></small>Pb/<small><sup>238</sup></small>U age of 498.7 ± 0.4 Ma (2s, <em>n</em> = 5, MSWD = 0.99). The <small><sup>206</sup></small>Pb/<small><sup>238</sup></small>U ages obtained <em>via</em> LA-Q/SF-ICP-MS across multiple analytical sessions were consistent with the ID-TIMS results, demonstrating homogeneity with ∼1% precision using <em>in situ</em> techniques. Additionally, the ages of BS-1, MG-1, and XN Datas can be reproduced by LA-SF-ICP-MS when calibrated against the Xtm-NHBS crystal as a primary reference material. Meanwhile, the Lu–Hf age of this crystal by LA-ICP-MS/MS is also presented in this study. The newly characterised natural Xtm-NHBS xenotime offers a significant contribution to advancing <em>in situ</em> U–Pb/Lu–Hf geochronology, enhancing both accuracy and precision in microanalytical applications.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 931-941"},"PeriodicalIF":3.1,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761629","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
ICP-OES determination of major and trace composition of gadolinium(iii) oxide crystals doped with europium†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-03-03 DOI: 10.1039/D4JA00452C
Sofia I. Nagornaya, Evgeniya V. Polyakova, Ruslan E. Nikolaev and Elena N. Nigmatulina
{"title":"ICP-OES determination of major and trace composition of gadolinium(iii) oxide crystals doped with europium†","authors":"Sofia I. Nagornaya, Evgeniya V. Polyakova, Ruslan E. Nikolaev and Elena N. Nigmatulina","doi":"10.1039/D4JA00452C","DOIUrl":"https://doi.org/10.1039/D4JA00452C","url":null,"abstract":"<p >The ICP-OES method for determination of the main and trace composition of europium-doped gadolinium(<small>III</small>) oxide crystals from a single solution has been developed. Axial plasma viewing was used for trace analysis, and radial viewing was used for the Eu/Gd determination. Different variants of calibration solution preparation were compared: mixing aliquots and joint dissolution of samples. The parameters of spectra registration that minimized the relative standard deviation (RSD) of the emission intensities were selected; the results obtained using the “aliquot mixing” method coincided with the results of an electron microprobe analysis. The RSD in the Eu/Gd molar ratio is 1.5%. It is shown that the maximum ICP power provides minimum detection limits for trace elements at a Gd concentration of 1500 mg L<small><sup>−1</sup></small> in solution, amounting to <em>n</em>·10<small><sup>−6</sup></small> to <em>n</em>·10<small><sup>−3</sup></small>% w/w for 52 elements.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 954-960"},"PeriodicalIF":3.1,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761631","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
NMR spectroelectrochemistry in studies of l-dopa oxidation by graphdiyne/graphene thin films†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-03-03 DOI: 10.1039/D4JA00465E
Xiaoping Zhang, Lin Yang, Shihui Xu, Zhe Wang and Wei Sun
{"title":"NMR spectroelectrochemistry in studies of l-dopa oxidation by graphdiyne/graphene thin films†","authors":"Xiaoping Zhang, Lin Yang, Shihui Xu, Zhe Wang and Wei Sun","doi":"10.1039/D4JA00465E","DOIUrl":"https://doi.org/10.1039/D4JA00465E","url":null,"abstract":"<p >In this paper, we employed laser-induced technology to prepare graphdiyne/graphene (GDY/G) heterostructure film electrodes and constructed an <em>in situ</em> electrochemical cell. During <em>in situ</em> testing, we only placed the GDY/G electrode in the nuclear magnetic resonance (NMR) monitoring area, which minimized its impact on the NMR magnetic field and maximized the avoidance of mutual interference between electrochemistry (EC) and NMR, enabling the collection of <em>in situ</em> high-resolution spectra. Additionally, we utilized <em>in situ</em> electrochemistry-combined nuclear magnetic resonance (EC-NMR) technique to investigate the oxidation reaction of <small>L</small>-dopa at different pH environments in real-time. This allowed us to infer the oxidation mechanism of <small>L</small>-dopa under various conditions, providing a basis for the application of <em>in situ</em> EC-NMR technology in monitoring the reaction mechanisms of small drug molecules.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 1015-1022"},"PeriodicalIF":3.1,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761611","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
Germanium stable isotope measurements by double-spike MC-ICPMS
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-02-27 DOI: 10.1039/D4JA00359D
Elias Wölfer, Christoph Burkhardt and Thorsten Kleine
{"title":"Germanium stable isotope measurements by double-spike MC-ICPMS","authors":"Elias Wölfer, Christoph Burkhardt and Thorsten Kleine","doi":"10.1039/D4JA00359D","DOIUrl":"10.1039/D4JA00359D","url":null,"abstract":"<p >We present analytical procedures for the measurement of mass-dependent Ge isotope compositions using a <small><sup>70</sup></small>Ge–<small><sup>73</sup></small>Ge double spike and multiple-collector inductively coupled plasma mass spectrometry (MC-ICP-MS). Two different mass spectrometers (ThermoScientific Neptune Plus and Neoma) and two different sample introduction systems (Teledyne Cetac Technologies HGX-200 hydride generator and, for the first time in Ge isotope analyses, a Cetac Technologies Aridus II desolvator) were used. A series of analytical tests demonstrate that our analytical procedure efficiently separates Ge from the sample matrix and provides accurate and precise Ge concentration and isotope data for both instruments and sample introduction methods. The external reproducibility (2 s.d.) of the entire analytical procedure is ±0.09‰ for <em>δ</em><small><sup>74/70</sup></small>Ge (the permil deviation from the National Institute of Standards and Technology (NIST) Standard Reference Material (SRM) 3120a). Using the new methods, we obtained Ge isotope data for an Alfa Aesar Ge standard solution, the NIST SRM metals 129c and 261, two terrestrial basalts (BHVO-2 and BCR-2), and eight iron meteorites. We find excellent agreement between the data obtained using the hydride generator and using the Aridus II desolvator. Due to the overall easier use of the latter, the desolvator may be the sample introduction system of choice for most Ge isotope applications. Overall, the samples of this study show <em>δ</em><small><sup>74/70</sup></small>Ge variations up to ∼2‰, and in agreement with literature data, indicate that mass-dependent Ge isotope variations may be used to study a wide range of geochemical and cosmochemical processes.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 1023-1036"},"PeriodicalIF":3.1,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11886773/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584026","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
Atomic spectrometry update: review of advances in the analysis of clinical and biological materials, foods and beverages
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-02-27 DOI: 10.1039/D5JA90008E
Marina Patriarca, Nicola Barlow, Alan Cross, Sarah Hill, David Milde and Julian Tyson
{"title":"Atomic spectrometry update: review of advances in the analysis of clinical and biological materials, foods and beverages","authors":"Marina Patriarca, Nicola Barlow, Alan Cross, Sarah Hill, David Milde and Julian Tyson","doi":"10.1039/D5JA90008E","DOIUrl":"https://doi.org/10.1039/D5JA90008E","url":null,"abstract":"<p >This Update covers publications from the second half of 2023 to the middle of 2024, related to the analysis of clinical specimens, food and beverages and including reviews discussing specific aspects and future perspectives. The pursuit of lower detection capabilities continues to promote further research. Some works have focussed on vapour generating techniques for trapping and preconcentration prior to instrumental analysis and many more on the extraction and preconcentration of elements during the sample preparation step. The synthesis and application of nanomaterials play an important role for these developments. The interest in reagents for green chemistry was the subject of several reviews, and, increasingly, researchers are discussing the environmental impact and sustainability of new methods. In terms of analytical instrumentation, the performances of MICAP-OES were thoroughly assessed on various complex matrices, confirming the technique as highly robust to interferences and with detection capabilities similar to ICP-OES. The N<small><sub>2</sub></small>-MICAP-MS, which is free from Ar-based polyatomic interferences, was applied to human serum and food samples, although with no significant advantage. There was continued interest in applications of scICP-TOF-MS for the evaluation of more than one characteristic of the same individual cell. The determination of isotope ratios in biological matrices was carried out by high precision MC-ICP-MS. The interest in single cell and single particle analysis and the determination of nanoparticles resulted in the publication of multiple papers specifically reviewing the development in these areas, from which the need emerged to apply multiple techniques and promote standardisation. Multielement techniques (LIBS and XRF) are increasingly applied both in the clinical and food area. Several papers reported new applications of LIBS for disease diagnosis, based on complex statistical modelling methods, whereas others have focussed on techniques to enhance its sensitivity and precision for the analysis of biological, food and water samples. Portable LIBS instrumentation offers potential for a wider application in forensic and food sciences, if calibration strategies and method validation could be improved. The indirect detection of low concentrations of molecules of clinical interest after element-tagging represents a rapidly expanding field. Applications of atomic spectrometry to food and beverages continue to grow, especially in relation to sustainable diets and food supplements. The trend of investigations of authenticity/provenance of foodstuffs using multielement profiles continues. The quality of analytical measurements should be of the utmost importance, however still too often such information is insufficient. We therefore highlight the analysis of CRMs in the papers discussed in this Update and report publications addressing interlaboratory comparisons and new CRMs.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 3","pages":" 541-664"},"PeriodicalIF":3.1,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553595","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
Detection of cesium in salt-lake brine using laser-induced breakdown spectroscopy combined with a convolutional neural network
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-02-27 DOI: 10.1039/D4JA00408F
Xiangyu Shi, Shuhang Gong, Qiang Zeng, Jinrui Ye, Yaju Li, Junxian Lu, Yifan Wu, Shaowei Wang, Kou Zhao, Xueqi Liu, Shilei Zhong, Hongyan Liu, Yongquan Zhou, Lei Yang, Shaofeng Zhang, Xinwen Ma and Dongbin Qian
{"title":"Detection of cesium in salt-lake brine using laser-induced breakdown spectroscopy combined with a convolutional neural network","authors":"Xiangyu Shi, Shuhang Gong, Qiang Zeng, Jinrui Ye, Yaju Li, Junxian Lu, Yifan Wu, Shaowei Wang, Kou Zhao, Xueqi Liu, Shilei Zhong, Hongyan Liu, Yongquan Zhou, Lei Yang, Shaofeng Zhang, Xinwen Ma and Dongbin Qian","doi":"10.1039/D4JA00408F","DOIUrl":"https://doi.org/10.1039/D4JA00408F","url":null,"abstract":"<p >To meet the application needs for cesium (Cs) extraction from salt-lake brines, the present work explores a laser-induced breakdown spectroscopy (LIBS) method that facilitates sample analysis by breakdown near the liquid–air interface. This approach addresses the demand for <em>in situ</em> analysis with a low detection limit and a wide detection range. Experimental studies were conducted using 14 samples with different concentrations (10–1000 ppm) prepared by adding various amounts of Cs into raw salt-lake brines. Utilizing a LIBS setup equipped with a high-speed camera, over 4200 sets of spectral data were obtained. The effects of focal offset on liquid disturbance and LIBS signal quality were studied in detail, and it was found that the optimization of the focal offset not only suppresses liquid disturbance, but also improves signal quality, including signal-to-noise ratio and signal-to-background ratio. These findings are critical for the advancement of long-term, continuous, <em>in situ</em> LIBS detection technology. To achieve precise Cs detection across a wide concentration range, two multivariate models were constructed based on a convolutional neural network (CNN) with different input data (an OD-CNN model with original data and an AD-CNN model with augmented data). Both models were capable of Cs detection across a wide concentration range, and comparative studies demonstrated that the AD-CNN model outperforms the OD-CNN model. Specifically, the coefficient of determination value improved from 97.19% to 99.81% with the AD-CNN model, while the mean absolute error and root mean square error were reduced by 56.95% and 53.63%, respectively, compared to the OD-CNN model. These results highlight that the AD-CNN model provides a robust approach for mitigating the influence of matrix effects, making it suitable for <em>in situ</em> LIBS monitoring during the process of Cs extraction from salt-lake brine.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 1037-1048"},"PeriodicalIF":3.1,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761612","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
Carbon isotope fractionation during volatilization of chlorinated organic compounds†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-02-27 DOI: 10.1039/D4JA00390J
Lingling Zhang, Yi Liu, Xinyi Du, Di Zhu, Zhe Shi, Mang Lin and Biao Jin
{"title":"Carbon isotope fractionation during volatilization of chlorinated organic compounds†","authors":"Lingling Zhang, Yi Liu, Xinyi Du, Di Zhu, Zhe Shi, Mang Lin and Biao Jin","doi":"10.1039/D4JA00390J","DOIUrl":"https://doi.org/10.1039/D4JA00390J","url":null,"abstract":"<p >Chlorinated organic compounds (COCs) are industrially produced for different applications. These chemicals occur as common organic contaminants in soil and groundwater. Compound specific isotope analysis (CSIA) has been widely applied to delineate underlying transformation processes of organic contaminants. However, it remains unclear how volatilization processes would influence observed CSIA signals of different COCs, which is of special interest for remediation techniques such as soil vapor extraction and soil bioventing that rely on volatilization. To fill this data gap, our study developed an experimental setup and applied our optical CSIA approach to resolve carbon isotope fractionation of 12 different COCs during volatilization. Inverse carbon isotope fractionation was observed for all the target compounds, where positive carbon isotope enrichment factors (<em>ε</em>) were obtained. The extent of carbon isotope fractionation was correlated with the elemental compositions of the target compounds, indicating that chlorine substitutions lead to more pronounced inverse carbon isotope effects. Our study widened applications of the optical carbon CSIA method, and provided valuable data to evaluate volatilization-induced carbon isotope fractionation of different COCs.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 4","pages":" 1006-1014"},"PeriodicalIF":3.1,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143761610","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
TOFHunter—unlocking rapid untargeted screening of inductively coupled plasma–time-of-flight–mass spectrometry data†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-02-25 DOI: 10.1039/D4JA00331D
Hunter B. Andrews, Lyndsey Hendriks, Sawyer B. Irvine, Daniel R. Dunlap and Benjamin T. Manard
{"title":"TOFHunter—unlocking rapid untargeted screening of inductively coupled plasma–time-of-flight–mass spectrometry data†","authors":"Hunter B. Andrews, Lyndsey Hendriks, Sawyer B. Irvine, Daniel R. Dunlap and Benjamin T. Manard","doi":"10.1039/D4JA00331D","DOIUrl":"https://doi.org/10.1039/D4JA00331D","url":null,"abstract":"<p >This study provides an overview of a newly developed open source program written in Python, TOFHunter, which permits the rapid and untargeted screening of inductively coupled plasma (ICP)-time-of-flight (TOF)-mass spectrometry (MS) datasets. ICP-TOF-MS is an analytical tool capable of providing quasi simultaneous detection of all nuclides from Li to Pu. This capability has triggered an increase in studies investigating single-particle analysis in which the TOF-MS provides correlated elemental/isotopic signatures on a particle basis in time. Similarly, laser ablation mapping has seen rapid growth owing to ICP-TOF-MS's capacity to handle fast washout times (&lt;10 ms) while providing a broad nuclide coverage. The caveat to this broad mass coverage and high time resolution comes in the form of large, overwhelming datasets. With datasets typically on the scale of gigabytes, it is easy for a user to only focus on very targeted analytes; however, this focus diminishes the opportunity offered by the TOF-MS detector. TOFHunter applies chemometric methods, principal component analysis (PCA), and interesting features finder (IFF) on ICP-TOF-MS data, allowing for investigation of correlations, major and minor variance sources, and sample screening. The unique spectra identified by the (IFF) are used to generate a list of mass peaks, which are then matched with both nuclides and potential interferences before being exported for the user to investigate. Several case studies are discussed herein, demonstrating TOFHunter's ability to screen aqueous injections, single-particle/single-cell analysis, and probe laser ablation mapping files for unique regions of interest.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 3","pages":" 910-920"},"PeriodicalIF":3.1,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ja/d4ja00331d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553637","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
SI-traceable quantification of 135Cs in 137Cs solution for 135Cs standardization†
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-02-20 DOI: 10.1039/D4JA00428K
Shiho Asai, Taiyo Tajima, Aya Sakaguchi, Yasushi Sato, Hideki Harano and Katsuhiro Shirono
{"title":"SI-traceable quantification of 135Cs in 137Cs solution for 135Cs standardization†","authors":"Shiho Asai, Taiyo Tajima, Aya Sakaguchi, Yasushi Sato, Hideki Harano and Katsuhiro Shirono","doi":"10.1039/D4JA00428K","DOIUrl":"https://doi.org/10.1039/D4JA00428K","url":null,"abstract":"<p >The quantification of long-lived radiocesium, <small><sup>135</sup></small>Cs, is essential for assessing the long-term safety of high-level radioactive waste repositories. However, the lack of certified reference materials for <small><sup>135</sup></small>Cs measurement <em>via</em> mass spectrometry presents a significant challenge as the demand for universally reliable analytical results grows. This study investigated a <small><sup>137</sup></small>Cs solution generated from uranium fission as a candidate for a Cs isotope standard reference material, assuming that it contains a comparable concentration of <small><sup>135</sup></small>Cs relative to <small><sup>137</sup></small>Cs. The mass fractions of Cs isotopes (<small><sup>133</sup></small>Cs, <small><sup>135</sup></small>Cs, and <small><sup>137</sup></small>Cs) in the <small><sup>137</sup></small>Cs solution were determined with SI traceability using triple quadrupole inductively coupled plasma mass spectrometry (ICP-MS/MS), along with the Cs molar mass and isotopic composition. Precise measurements of <small><sup>135</sup></small>Cs (20 pg g<small><sup>−1</sup></small>) were achieved with a standard uncertainty of 0.1–0.3% and a sensitivity of approximately 150 cps per pg g<small><sup>−1</sup></small>, using the N<small><sub>2</sub></small>O gas mode to eliminate Ba interference effectively. The mass discrimination in the <small><sup>135</sup></small>Cs/<small><sup>133</sup></small>Cs molar ratio obtained <em>via</em> ICP-MS/MS was corrected using the <small><sup>137</sup></small>Cs/<small><sup>133</sup></small>Cs molar ratio, which was traceably determined to the SI unit, as a reference value. The resulting mass fraction and isotopic composition of <small><sup>135</sup></small>Cs were determined to be 21.43 ± 0.75 ng g<small><sup>−1</sup></small> (<em>k</em> = 2) and 0.1891 ± 0.0057 (<em>k</em> = 2), respectively. Based on these <small><sup>135</sup></small>Cs/<small><sup>133</sup></small>Cs and <small><sup>137</sup></small>Cs/<small><sup>133</sup></small>Cs molar ratios, the <small><sup>135</sup></small>Cs/<small><sup>137</sup></small>Cs molar ratio was established at 1.008 ± 0.048 (<em>k</em> = 2). This study presents the first verified SI-traceable isotopic composition for Cs.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 3","pages":" 679-688"},"PeriodicalIF":3.1,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143553597","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
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