Journal of Analytical Atomic Spectrometry最新文献

{"title":"High-accuracy quantification of soil elements by laser-induced breakdown spectroscopy based on PCA-GS-ELM","authors":"Fanhua Qu, Haochen Li, Qifang Sun, Wanxiang Li, Yuchao Fu, Meizhen Huang and Tianyuan Liu","doi":"10.1039/D4JA00176A","DOIUrl":"10.1039/D4JA00176A","url":null,"abstract":"<p >Laser-induced breakdown spectroscopy (LIBS) quantitative analysis is susceptible to matrix effects, especially in samples with significant differences in texture, such as soil and coal. Adding additional information such as the physicochemical properties of the sample and plasma images based on the original spectrum is an effective measure to reduce substrate effects. In this study, a new strategy to mitigate the impact of matrix effects and a high-accuracy quantification method for elements in soil by LIBS called PCA-GS-ELM are proposed. No additional equipment is required to obtain auxiliary information. Principal component analysis (PCA) is employed to extract spectral differences between different samples, and the differential spectrum is combined with the original spectrum to form the generalized spectra (GS), which is then input into the extreme learning machine (ELM) model. The model is trained to simultaneously focus on the element characteristic spectral lines and matrix differences between samples. In the experiment, a self-developed portable high-frequency LIBS is used. In the quantitative analysis of six major elements in 13 soil samples, the PCA-GS-ELM method has significantly improved accuracy. The RMSEP for Si, Al, Ca, Fe, Mg, and Ti is 0.946, 0.278, 0.394, 0.08, 0.169, and 0.034 wt%, respectively. The results demonstrate that the proposed generalized spectral method can mitigate matrix effects and enhance the performance of multivariate analysis methods.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2514-2521"},"PeriodicalIF":3.1,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207155","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}

{"title":"Lithium-ion batteries: direct solid sampling for characterisation of black mass recyclates using graphite furnace atomic absorption spectrometry†","authors":"Maria Dommaschk, Tim Sieber and Jörg Acker","doi":"10.1039/D4JA00207E","DOIUrl":"10.1039/D4JA00207E","url":null,"abstract":"<p >In this work, the potential for direct major component analysis of lithium–nickel–manganese–cobalt oxide variants in solid samples by graphite furnace atomic absorption spectrometry (SS-GF AAS) was critically evaluated, always with the aim of developing a simple and rapid method that relies only on the use of aqueous standards for calibration. The accuracy of the developed method was evaluated against an established wet chemical acid digestion method using an inductively coupled plasma optical emission spectrometer (ICP-OES). The most challenging aspect was the selection and use of suitable standards, whereby the analytical performance criteria of liquid standards, single oxide solid standards and multi-element solid standards had to be determined. With the result that multi-element liquid standards can be used for calibration, very good agreement with the certified reference values and with the values obtained by ICP-OES was achieved in all cases. The precision of the method was better than 12% with an optimum sample mass of 0.2–0.4 mg. The results show that not only the major components in pure NMC compounds (<em>e.g.</em> starting materials) can be reliably analysed, but also the cathode coatings made from recycled battery materials. This demonstrates the range of applications of the methods and their suitability under industrial conditions, for example in the analysis of recyclates. The technology is almost predestined for use in industrial laboratories in order to quickly and accurately determine the stoichiometric composition of cathode coatings from aged lithium batteries and to ensure battery shredding by type.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2522-2531"},"PeriodicalIF":3.1,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207161","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}

{"title":"Determination of thallium isotopic composition through MC-ICP-MS with mass bias corrected using admixed W†","authors":"Zhao-Yang Wang, Fei-Yu Dong, Lu Yin, Jun-Jie Liu, Qiao-Hui Zhong and Jie Li","doi":"10.1039/D4JA00187G","DOIUrl":"10.1039/D4JA00187G","url":null,"abstract":"<p >Despite their widespread application in planetary and earth sciences in the past two decades, thallium isotopic compositions have been determined <em>via</em> MC-ICP-MS with instrumental mass bias corrected by employing a combination of lead doping and standard-sample bracketing. Residual Pb, either from the sample matrix or contamination, may significantly distort the isotope ratio of Pb for mass bias correction, thereby affecting the accuracy of Tl isotope measurement. In this study, we employed <small>¹⁸⁶</small>W/<small>¹⁸⁴</small>W (NIST SRM 3163 W) instead of <small>²⁰⁸</small>Pb/<small>²⁰⁶</small>Pb (NIST SRM 981 Pb) to correct instrumental mass bias during the measurement of Tl isotopic compositions through MC-ICP-MS. The plot of ln(<small>¹⁸⁶</small>W/<small>¹⁸⁴</small>W) <em>vs.</em> ln(<small>²⁰⁵</small>Tl/<small>²⁰³</small>Tl) shows a strong linear correlation (<em>R</em><small>²</small> &gt; 0.993) in the repeated analyses of NIST SRM 997 Tl using W. Two pure Tl standards, Fluka Tl and GSB Tl, produced <em>ε</em><small>²⁰⁵</small>Tl<small>_{NIST 997}</small> values of −1.9 ± 0.7 (2SD, <em>n</em> = 97) and 0.8 ± 0.7 (2SD, <em>n</em> = 31), respectively. The <em>ε</em><small>²⁰⁵</small>Tl<small>_{NIST 997}</small> of five geological reference materials (SCo-1, GSS-6, GSP-2, NOD-P-1, and NOD-A-1) are also reported here, and the external reproducibility of these results is better than 0.08‰ (2SD). <em>ε</em><small>²⁰⁵</small>Tl<small>_{NIST 997}</small> values are in good agreement with previously published values determined using Pb doping to correct mass bias, demonstrating that W can serve as a calibrator and facilitate high-precision <em>ε</em><small>²⁰⁵</small>Tl<small>_{NIST 997}</small> measurement of geological materials.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2443-2451"},"PeriodicalIF":3.1,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207163","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}

{"title":"Atomic Spectrometry Updates: An overview and call for new writers","authors":"","doi":"10.1039/D4JA90044H","DOIUrl":"https://doi.org/10.1039/D4JA90044H","url":null,"abstract":"<p >The Atomic Spectrometry Updates (ASU) Editorial Board is seeking to recruit new writers. If you are interested in becoming a member of the production team and joining the ASU Board, now is the time to apply. This editorial provides a brief overview of the history of ASU, information on how we operate and details of how you can get involved.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2150-2151"},"PeriodicalIF":3.1,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142084548","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}

{"title":"Improvements in low-level radionuclide measurement capability through use of the Apex Q sample introduction system combined with ICP-MS/MS†","authors":"Ben Russell, Frankie Falksohn, Alexandre Tribolet, Hibaaq Mohamud, Olivia Pearson, Emma Braysher, Saskia Burke and Anu Bhaisare","doi":"10.1039/D4JA00216D","DOIUrl":"10.1039/D4JA00216D","url":null,"abstract":"<p >Inductively coupled plasma mass spectrometry (ICP-MS) is increasingly used for rapid measurement of medium and long-lived radionuclides. Of the techniques available, tandem ICP-MS/MS is of growing interest owing to the enhanced online interference removal capabilities offered by an additional mass filter and a collision-reaction cell. This can reduce or remove the need for offline chemical separation, further reducing the procedural time. This online interference removal approach can reduce analyte sensitivity, which is an issue for trace-level measurements, particularly for relatively short-lived radionuclides. To help address this, this study investigates the use of desolvating sample introduction combined with ICP-MS/MS for enhanced measurement of multiple radionuclides. Results are shown for actinides, difficult-to-measure radionuclides of high priority for nuclear decommissioning, and shorter-lived radionuclides relevant to paleoclimate measurement. The improved sensitivity and additional interference removal achieved compared to the standard sample introduction system are demonstrated, with the results benefitting end users interested in improved waste characterisation, environmental radioactivity, nuclear forensics, and improved historical climate measurements.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 11","pages":" 2929-2936"},"PeriodicalIF":3.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207164","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}

{"title":"A device for reducing the atmosphere-induced interferences for analysis using inductively coupled plasma-mass spectrometry†","authors":"Xin Jiang, Yongsheng Liu, Wengui Liu, Jie Lin, Zhenyi Liu, Lifei Chen, Xi Zhu, Wen Zhang and Zhaochu Hu","doi":"10.1039/D4JA00185K","DOIUrl":"10.1039/D4JA00185K","url":null,"abstract":"<p >The atmosphere-induced interference reduction device (AIRD) shows promise in mitigating interferences in inductively coupled plasma-mass spectrometry (ICP-MS) analysis. The effectiveness of AIRD in reducing interferences caused by atmospheric gases such as H, C, N and O was evaluated by using argon (Ar) and helium (He) as shielding gases due to their inert properties. Krypton (<small>⁸²</small>Kr) served as an internal standard for monitoring and correcting instrumental sensitivity drift. The shielding gas flow rate was optimized using gas dynamics simulations, revealing a threshold of 10 L min<small>⁻¹</small> for optimal interference reduction. Results indicate the superiority of He in reducing interferences, with a reduction of 32% for <small>¹²</small>C<small>⁺</small>, 51% for <small>¹⁵</small>N<small>⁺</small>, 56% for <small>¹⁶</small>O<small>⁺</small>, 54% for <small>¹⁶</small>O<small>¹</small>H<small>¹</small>H<small>⁺</small>, 51% for <small>⁴⁰</small>Ar<small>¹⁴</small>N<small>⁺</small>, and 42% for <small>⁴⁰</small>Ar<small>¹⁶</small>O<small>⁺</small> compared to Ar. Moreover, AIRD maintained low oxide yields even after shielding gas cessation, with oxide yield maintained at approximately 0.03% for 24 hours. Analyses of LA-ICP-MS coupled with AIRD demonstrate that ThO/Th can be reduced from 0.92% to 0.15% compared to normal analysis without AIRD. Experimental investigations further revealed that AIRD influenced elemental sensitivity, particularly with He as the shielding gas, with an ∼25.7% enhancement observed in the signal intensity of <small>⁸²</small>Kr.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2452-2460"},"PeriodicalIF":3.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207167","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}

{"title":"Single particle ICP-MS: a tool for the characterization of gold nanoparticles in nanotheranostics applications†","authors":"Meritxell Cabré, Gabriel Fernández, Esther González, Jordi Abellà and Ariadna Verdaguer","doi":"10.1039/D4JA00141A","DOIUrl":"10.1039/D4JA00141A","url":null,"abstract":"<p >Nanotheranostics aims to perform a premature and non-invasive diagnosis combined with therapy focused on the specific place where the disease is by using nanomaterials. To evaluate the ability to penetrate and retain the inorganic nanoparticles (NPs) in the cells, analytical techniques such as Single-Particle ICP-MS (SP-ICP-MS) are required to characterize these NPs. SP-ICP-MS provides not only the size distribution and concentration of NPs but also the concentration of the dissolved elements. In recent years, direct alkaline dilution of blood, serum, and urine is performed in clinical laboratories for routine analysis. This alkaline diluent is named clinical diluent and it is a mixture of ammonia, EDTA, 2-propanol, Triton X100, and purified water. In this work, a methodology to characterize AuNPs in blood and urine samples using SP-ICP-MS has been developed. Samples were directly diluted with clinical diluent before multi-quadrupole ICP-MS analysis. The effect of this clinical diluent on the behaviour and stability of AuNPs has been studied. Good stability of AuNPs was observed for both the particle size and particle concentration (&lt;17% difference in 10 days). Moreover, analytical parameters of this method such as linearity, detection limit, accuracy, and precision in blood and urine samples were studied for both the particle size and particle concentration. Linearity was evaluated for particle size (from 10 to 100 nm) and particle concentration (from 5 × 10<small>³</small> to 1 × 10<small>⁴</small> NP per mL). Furthermore, recoveries between 88% and 103% for the NP concentration and between 100% and 110% for the nanoparticle size were obtained. Dissolved and gold nanoparticle detection limits have also been estimated.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2508-2513"},"PeriodicalIF":3.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207170","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}

{"title":"Quantitative analysis of niobium in electropolishing solution by laser-induced breakdown spectroscopy using porous silicon†","authors":"Ayumu Matsumoto, Yuta Toyama, Yusuke Shimazu, Keisuke Nii, Yoshiaki Ida and Shinji Yae","doi":"10.1039/D4JA00177J","DOIUrl":"10.1039/D4JA00177J","url":null,"abstract":"<p >For the construction of the international linear collider, mass production of niobium (Nb) superconducting cavities is essential. In the surface treatment of the Nb cavities, on-site analysis of electropolishing solution composed of hydrofluoric acid and sulfuric acid is desired. In this work, we analyzed the electropolishing solutions containing from 1.0 g L<small>⁻¹</small> to 10.0 g L<small>⁻¹</small> Nb by surface-enhanced laser-induced breakdown spectroscopy (surface-enhanced LIBS) that needs only a microvolume sample and simple operations. The sample solution was trapped on porous silicon (Si) fabricated by metal-assisted etching (metal-assisted chemical etching) through a wiping process. Nb emission lines were detected with low laser energy irradiation (2.0 mJ per pulse) onto the substrate. A regression model was built by partial least squares regression, and the Nb concentrations of test samples were predicted with a mean absolute error of approximately 0.4 g L<small>⁻¹</small>. To the best of our knowledge, this is the first report that applied LIBS to the analysis of the highly toxic electropolishing solution. The proposed method would be helpful for the quality control of surface treatment and the efficient use of solution.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2532-2542"},"PeriodicalIF":3.1,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207165","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}

{"title":"Determination of ultra-trace level krypton concentration in high-purity nitrogen using a static vacuum mass spectrometer","authors":"Sui Fang, Zhiming Li, Yedong Guan, Jiang Xu, Meng Li, Tai Kang, Wei Wang and Guanyi Wei","doi":"10.1039/D4JA00245H","DOIUrl":"10.1039/D4JA00245H","url":null,"abstract":"<p >Uncovering the nature of dark matter microscopic particles is one of the most important disciplinary goals of physics and astronomy in the 21st century, and how to reduce background signals and environmental interference in dark matter experiments is one of the key factors to improve the sensitivity of the detector and to take the lead in obtaining significant detection results. High-purity nitrogen, as a crucial gas for detector purging, scintillator purification and pipe cleaning, among other things, contains the radioactive gases <small>⁸⁵</small>Kr and <small>⁸¹</small>Kr in natural Kr, which emit β-rays that can interfere with the detection of dark matter signals. Therefore, it is necessary to measure the concentration of ultra-trace level Kr in high-purity nitrogen, and screen high-purity nitrogen complying with the standard for use in dark matter experiments. This study develops a novel analytical method to determine ultra-trace level Kr in high-purity nitrogen using a static noble gas mass spectrometer coupled with a newly designed sample processing system. A large amount of reactive gases from the original sample are removed by the large-volume high-temperature purification device, and then we explore a simple and iterative trapping method for Ar–Kr separation. This method improves the noble gas separation factor with the promise of ensuring recovery. The separated Kr is fed into a static vacuum mass spectrometer. The detection limit of this method for natural Kr is as low as 10<small>⁻¹⁴</small> L L<small>⁻¹</small> with an uncertainty of about 8%.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2471-2479"},"PeriodicalIF":3.1,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141946781","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}

{"title":"Cavity-constrained LIBS combined with the gray wolf optimization algorithm for optimizing bidirectional long short-term memory (GWO-BiLSTM) networks for classification prediction of different brands of cigarettes","authors":"Junjie Chen, Xiaojian Hao, Biming Mo, Shuaijun Li, Junjie Ma, Xiaodong Liang, Zheng Wang and Heng Zhang","doi":"10.1039/D4JA00143E","DOIUrl":"10.1039/D4JA00143E","url":null,"abstract":"<p >As a kind of plant with complex chemical composition, the different compositions of tobacco determine the quality of tobacco, which in turn determines the quality of its cigarette products, so high-precision and rapid identification of different brands of cigarettes is of great significance for combating the market of counterfeit and shoddy cigarettes and safeguarding people's life and health. Traditional cigarette detection methods are time-consuming and subjective, and the analysis results are not objective and precise enough, whereas this study proposes a combination of cavity-constrained laser-induced breakdown spectroscopy (LIBS) and gray wolf optimization algorithm optimized bidirectional long short-term memory (GWO-BiLSTM) networks for classifying and identifying cigarette samples of 10 different brands. The signal-to-noise ratio and enhancement factor of the spectral intensity signal, LIBS plasma temperature and density are compared for different sizes of cavity constraints, and an optimal spectral enhancement size of 5 mm in both cavity height and diameter is selected. Comparing four different spectral downscaling methods, namely, principal component analysis (PCA), robust principal component analysis (RPCA), linear discriminant analysis (LDA), and t-distribution-stochastic neighborhood embedding (t-SNE), the LDA downscaling model is selected to achieve effective downscaling of the LIBS spectral data. By comparing the classification performance of the three models, the long short-term memory (LSTM) network, bidirectional long short-term memory (BiLSTM) network, and GWO-BiLSTM network, the GWO-BiLSTM model can achieve a classification accuracy of up to 98.31% in the test set. The results show that the classification method for different brands of cigarettes proposed in this study can effectively solve the technical pain points of traditional tobacco detection methods and provide a technical means to prevent the circulation of counterfeit cigarettes.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 10","pages":" 2382-2394"},"PeriodicalIF":3.1,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141946735","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}