Spectrochimica Acta Part B: Atomic Spectroscopy最新文献_第6页

Quantification of ZnSO4 in aqueous solution by liquid-solid matrix transfer and double-pulse laser-induced breakdown spectroscopy 利用液固基质转移和双脉冲激光诱导击穿光谱定量水溶液中的 ZnSO4

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-11 DOI: 10.1016/j.sab.2025.107215

Peter Gschwandtner , Florian Rudinger , Stefan Trautner , Christoph Ramsauer , Georg Hölzl , Thomas Röder , Johannes D. Pedarnig

{"title":"Quantification of ZnSO4 in aqueous solution by liquid-solid matrix transfer and double-pulse laser-induced breakdown spectroscopy","authors":"Peter Gschwandtner , Florian Rudinger , Stefan Trautner , Christoph Ramsauer , Georg Hölzl , Thomas Röder , Johannes D. Pedarnig","doi":"10.1016/j.sab.2025.107215","DOIUrl":"10.1016/j.sab.2025.107215","url":null,"abstract":"<div><div>The concentration of zinc sulfate in aqueous solution was measured by double-pulse (DP) laser-induced breakdown spectroscopy (LIBS). ZnSO<sub>4</sub> is an essential chemical in the spin bath liquid used for industrial production of viscose fibers from cellulose. For DP-LIBS the ZnSO<sub>4</sub> analyte was transferred from the water matrix to a solid cellulose matrix (commercial filtration paper). Various emission lines of Zn in the UV/VIS range were measured at 560 different positions on the dried paper sample. The line intensities were strongly varying across the sample as observed by LIBS imaging. Signal analysis revealed broad and bimodal distributions of intensities. Normalization of analyte intensities to emission lines from the matrix reduced the apparent inhomogeneity of samples and achieved monomodal signal histograms and good analytical figures of merit. The mean error of predicted concentration of ZnSO<sub>4</sub> in aqueous solutions was 0.19 g/L (samples with concentration C<sub>ZnSO4</sub> = 0–11 g/L). Applications of DP-LIBS in viscose fiber production is envisaged.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107215"},"PeriodicalIF":3.2,"publicationDate":"2025-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829365","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}

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Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required 外部封面-期刊名称，封面图片，卷刊细节，ISSN，封面日期，爱思唯尔标志和学会标志（如果需要）

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-08 DOI: 10.1016/S0584-8547(25)00091-6

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Elsevier/Spectrochimica Acta Atomic Spectroscopy Award 2024 2024年爱思唯尔/光谱化学学报原子光谱学奖

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-04 DOI: 10.1016/j.sab.2025.107205

Alessandro De Giacomo

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Radiative recombination as a transient spectroscopic fingerprint for sample oxidation using laser-induced XUV spectroscopy (LIXS) 激光诱导紫外光谱（LIXS）作为样品氧化瞬态光谱指纹的辐射复合

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-03 DOI: 10.1016/j.sab.2025.107203

Sharath Rameshbabu , Davide Bleiner

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LIBSFormer: Enhancing Mars in-situ LIBS data analysis with accurate and interpretable quantification of oxides LIBSFormer：通过精确和可解释的氧化物定量，增强火星原位LIBS数据分析

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-03 DOI: 10.1016/j.sab.2025.107204

Sicong Liu, Zhuoxian Zhang, Jie Zhang, Kecheng Du, Xiaohua Tong, Huan Xie, Yongjiu Feng, Yanmin Jin

{"title":"LIBSFormer: Enhancing Mars in-situ LIBS data analysis with accurate and interpretable quantification of oxides","authors":"Sicong Liu, Zhuoxian Zhang, Jie Zhang, Kecheng Du, Xiaohua Tong, Huan Xie, Yongjiu Feng, Yanmin Jin","doi":"10.1016/j.sab.2025.107204","DOIUrl":"10.1016/j.sab.2025.107204","url":null,"abstract":"<div><div>Accurate detection of the Martian surface composition is crucial for exploring signs of life on Mars. Since the Curiosity rover landed on Mars in 2012, Laser-Induced Breakdown Spectroscopy (LIBS) has been extensively utilized for in-situ analysis of Martian surface materials. However, multivariate methods employed for the quantitative analysis of LIBS data face challenges, including low feature extraction efficiency, insufficient interpretability, and poor generalizability. In this paper, we propose a novel Transformer-based approach for quantitative analysis of oxides in LIBS data, namely LIBSFormer. LIBSFormer employs the self-attention mechanism to automatically and holistically extract elemental features, associating information across the spectrum in a single step. Furthermore, we propose a wavelength-aware tokenization strategy for training, along with an element-driven approach for model selection, enhancing both model interpretability and reliability. The experimental results on the ChemCam LIBS RDR dataset demonstrate that LIBSFormer exhibits superior accuracy and stability in the quantitative analysis of Mars in-situ LIBS data, outperforming the state-of-the-art methods. The average Root Mean Square Error (RMSE) of LIBSFormer is 0.2199 wt%, with a Standard Deviation (SD) value of 0.0177 wt%. In comparison to the Convolutional Neural Networks (CNNs), LIBSFormer reduces the RMSE by 47.7 % and SD by 69.0 %, with similar results achieved on the ChemCam calibration dataset. With regard to interpretability, the attention weights of the feature extraction process have demonstrated that LIBSFormer is capable of effectively extracting key spectral lines with an accuracy of 90.0 %. These findings suggest that LIBSFormer has potential applications in high-accuracy quantitative analysis of Mars in-situ LIBS data.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107204"},"PeriodicalIF":3.2,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143791488","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}

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Long-pulsed laser-induced breakdown spectroscopy for elemental imaging: An evaluation with human teeth 用于元素成像的长脉冲激光诱导击穿光谱：对人牙齿的评价

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-01 DOI: 10.1016/j.sab.2025.107201

Shoujie Li , Fei Teng , Lihui Ren , Qun Yan , Wangquan Ye , Ye Tian , Ying Li , Jinjia Guo , Yoshihiro Deguchi , Ronger Zheng , Xin Zhang , Yuan Lu

{"title":"Long-pulsed laser-induced breakdown spectroscopy for elemental imaging: An evaluation with human teeth","authors":"Shoujie Li , Fei Teng , Lihui Ren , Qun Yan , Wangquan Ye , Ye Tian , Ying Li , Jinjia Guo , Yoshihiro Deguchi , Ronger Zheng , Xin Zhang , Yuan Lu","doi":"10.1016/j.sab.2025.107201","DOIUrl":"10.1016/j.sab.2025.107201","url":null,"abstract":"<div><div>Laser-induced breakdown spectroscopy (LIBS) is a practical technique for chemical imaging by analyzing elemental emissions. The utilization of long-pulsed lasers has been proven to enhance LIBS detection in water and air. However, the application of long-pulsed LIBS in imaging remains unexplored. In this study, we employed a laser with a pulse width of 100 ns for LIBS imaging to obtain elemental distribution using a human tooth as sample for performance evaluation. It is demonstrated that the tooth layer can be effectively resolved with distinct boundaries under the long-pulsed LIBS. When compared with a 10-ns pulsed laser, the LIBS emissions were generally enhanced under the long-pulse laser, resulting in improved chemical imaging capabilities. This enhancement might be attributed to higher mass consumption achieved through prolonged excitation. After examining plasma properties, it was found that the long-pulsed LIBS exhibited higher sensitivity towards changes in tooth layers. Furthermore, the molecular emission was significantly amplified under long-pulsed LIBS. The compositional distribution is also trackable using these molecular emissions, and more information could be extracted by referencing the correlation between element and molecules. Therefore, utilizing a long pulse laser can serve as an effective approach to enhance chemical imaging in LIBS analysis while providing alternative options such as molecular mapping.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107201"},"PeriodicalIF":3.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768928","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}

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Energy-dispersive X-ray fluorescence analysis of uranium-contaminated stainless-steel surfaces by eliminating the iron sum peak using a titanium filter 利用钛滤光片消除铁和峰对铀污染不锈钢表面的能量色散x射线荧光分析

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-01 DOI: 10.1016/j.sab.2025.107200

Ukyou Yanagisawa , Hui Wang , Tsugufumi Matsuyama , Yasuhiro Sakai , Hiroshi Yoshii

{"title":"Energy-dispersive X-ray fluorescence analysis of uranium-contaminated stainless-steel surfaces by eliminating the iron sum peak using a titanium filter","authors":"Ukyou Yanagisawa , Hui Wang , Tsugufumi Matsuyama , Yasuhiro Sakai , Hiroshi Yoshii","doi":"10.1016/j.sab.2025.107200","DOIUrl":"10.1016/j.sab.2025.107200","url":null,"abstract":"<div><div>During energy-dispersive X-ray fluorescence (EDXRF) measurements of stainless steel, sum peaks originating from iron are frequently observed. Among these, the Fe Kα + Kβ sum peak overlaps with the U Lα peak, complicating the analysis of uranium contamination on stainless-steel surfaces. While secondary X-ray filters can mitigate such sum peaks, integrating them into commercially available portable EDXRF analyzers poses technical challenges. This study presents a straightforward method for eliminating iron sum peak interference. A titanium foil, placed over the uranium-contaminated area on a stainless-steel surface, attenuates incident X-rays while allowing significantly higher transmission of U Lα X-rays than Fe K X-rays. EDXRF measurements were conducted on uranium-contaminated stainless-steel models using a portable EDXRF spectrometer equipped with a titanium foil of optimized thickness as a filter. In the resulting EDXRF spectrum, the intensity of the U Lα peak showed a direct correlation with the uranium content, enabling accurate detection of uranium levels as low as 61 ng. The proposed method achieves a uranium detection sensitivity approximately 100 times greater than conventional α-survey meter methods.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107200"},"PeriodicalIF":3.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785917","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}

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Accurate determination of uranium isotope abundances by wavelength modulation spectroscopy in atomic beams 原子束波长调制光谱法精确测定铀同位素丰度

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-04-01 DOI: 10.1016/j.sab.2025.107202

Wei Wei, Alonso Castro

{"title":"Accurate determination of uranium isotope abundances by wavelength modulation spectroscopy in atomic beams","authors":"Wei Wei, Alonso Castro","doi":"10.1016/j.sab.2025.107202","DOIUrl":"10.1016/j.sab.2025.107202","url":null,"abstract":"<div><div>The design and demonstration of an optical analysis system based on wavelength modulation spectroscopy in an atomic beam for uranium isotope abundance determinations is presented. This system probes the uranium 5f<sup>3</sup>6d7s<sup>2</sup> (<sup>5</sup>L<sub>6</sub>) → 5f<sup>2</sup>6d<sup>2</sup>7s<sup>2</sup> (<sup>5</sup>K<sub>5</sub>) transition at 861.031 nm, which is considered to be the most suitable transition for uranium isotopic analysis. A new laser characterization strategy was developed for the conditions where optimum laser wavelength modulation depth was small compared to the free spectral range (FSR) of etalons. Two capabilities enabled the higher-precision determination of isotope abundances of atomic beams: (1) reduction of low-frequency additive noise, especially the noise caused by black-body radiation and (2) suppression of non-absorption transmission losses. The performance of this system was validated with uranium samples of various isotopic compositions. By comparing the measurements using natural uranium samples between the direct absorption and the wavelength modulation approaches, a 21-fold decrease in uncertainty of the integrated absorbance and a 6.8-fold improvement in the 1-σ precision of the number density were achieved. In addition, by comparing the results using uranium oxide samples, a 6.1-fold decrease in the uncertainty of inferred isotope abundance was obtained. These results demonstrate that the 1f-normalized 2f wavelength modulation spectroscopy (WMS-2f/1f) technique enables higher-precision analysis of atomic beams.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107202"},"PeriodicalIF":3.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783915","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}

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Analysis of impurities in NaPF6 for sodium-ion batteries by inductively coupled plasma tandem mass spectrometry 电感耦合等离子体串联质谱法分析钠离子电池用NaPF6杂质

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-29 DOI: 10.1016/j.sab.2025.107199

Ping Li , Shuiai Luo , Liang Fu , Dan Sun , Song Lan , Shuchun Li

{"title":"Analysis of impurities in NaPF6 for sodium-ion batteries by inductively coupled plasma tandem mass spectrometry","authors":"Ping Li , Shuiai Luo , Liang Fu , Dan Sun , Song Lan , Shuchun Li","doi":"10.1016/j.sab.2025.107199","DOIUrl":"10.1016/j.sab.2025.107199","url":null,"abstract":"<div><div>To detect metal impurities in the electrolyte of sodium-ion batteries (sodium hexafluorophosphate, NaPF<sub>6</sub>) and ensure the performance stability and safety of sodium-ion batteries, a new strategy for identifying detrimental metal impurities is proposed. In this work, inductively coupled plasma tandem mass spectrometry (ICP-MS/MS) was used to study 12 metal impurities in NaPF<sub>6</sub>. The NaPF<sub>6</sub> sample was dissolved in ultra-pure water and directly analyzed by ICP-MS/MS, and the spectral interference was eliminated by the reaction gas mixture N<sub>2</sub>O/H<sub>2</sub> in the MS/MS mode. The analysis results were compared with the results from sector field (SF)-ICP-MS, and the accuracy and reliability of the developed method were evaluated by a spike recovery test. Under optimized conditions, the limit of detection (LOD) of analytes was in the range of 0.16–3.2 ng L<sup>−1</sup>, the spiked recovery was in the range of 94.4 %–105 %, and the relative standard deviation (RSD) was 1.3 %–4.1 %. Statistical analysis showed that, at the confidence level of 95 %, there was no significant difference between the analysis results from the developed method and SF-ICP-MS. The developed method is accurate and reliable, with good stability and high accuracy. The ICP-MS/MS method based on the N<sub>2</sub>O/H<sub>2</sub> reaction mode shows strong potential for analyzing various metal impurities in NaPF<sub>6</sub>, and can be extended to other fields with great reference value.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107199"},"PeriodicalIF":3.2,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143747481","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}

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Online analysis of coal particle flow by laser-induced breakdown spectroscopy based on pelletized coal calibration samples and feature-based transfer learning 基于成球煤标定样品和特征迁移学习的激光诱导击穿光谱在线煤颗粒流分析

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-27 DOI: 10.1016/j.sab.2025.107198

Meirong Dong , Zhichun Li , Junbin Cai , Weiye Lu , Xiaoxuan Chen , Kaijie Bai , Shunchun Yao , Jidong Lu

{"title":"Online analysis of coal particle flow by laser-induced breakdown spectroscopy based on pelletized coal calibration samples and feature-based transfer learning","authors":"Meirong Dong , Zhichun Li , Junbin Cai , Weiye Lu , Xiaoxuan Chen , Kaijie Bai , Shunchun Yao , Jidong Lu","doi":"10.1016/j.sab.2025.107198","DOIUrl":"10.1016/j.sab.2025.107198","url":null,"abstract":"<div><div>The application of laser-induced breakdown spectroscopy (LIBS) for directly measuring coal particle flow is an optimal choice for the actual industrial operations. With the objective of facilitating the detection of particle flow, we established a LIBS detection system coupled with the coal particle circulation bench, which can continuously and automatically provide particle flow samples for laser ablation. A quantitative analysis method for particle flow combining feature-based transfer learning was proposed, so a dual-mode optical LIBS module was designed and integrated into this system to obtain the spectral signals from different forms of coal samples (pellet and particle flow) through the same optical configuration. The spectral characteristics and the correlation between pellet and particle flow were firstly analyzed. Then a spectral correction method based on polynomial fitting was proposed to enhance the correlation between the pellet spectra and particle flow spectra. Finally, the feature space mapping method was introduced for improving the effect of feature transfer, and the model was trained on highly stable pellet spectra to perform a direct quantitative analysis of coal particle flow. The results demonstrated that the root mean square error (RMSE) for the analysis of calorific value, volatile matter, and ash content of particle flow was 0.757 MJ/kg, 2.630 %, and 3.034 %, respectively. This work provides a practical application scheme for on-line analysis of coal particle flow.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"229 ","pages":"Article 107198"},"PeriodicalIF":3.2,"publicationDate":"2025-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768927","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