Spectrochimica Acta Part B: Atomic Spectroscopy最新文献

Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-11 DOI: 10.1016/S0584-8547(25)00057-6

引用次数: 0

Novel insights into solute non-uniformity in liquid-solid LIBS detection: Minimal impact on quantitative accuracy

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-11 DOI: 10.1016/j.sab.2025.107179

Weihua Huang , Nan Deng , Aojun Gong , Deng Zhang , Lianbo Guo

{"title":"Novel insights into solute non-uniformity in liquid-solid LIBS detection: Minimal impact on quantitative accuracy","authors":"Weihua Huang , Nan Deng , Aojun Gong , Deng Zhang , Lianbo Guo","doi":"10.1016/j.sab.2025.107179","DOIUrl":"10.1016/j.sab.2025.107179","url":null,"abstract":"<div><div>Accurate detection of heavy metals is crucial for ensuring water safety. However, the impact of sample preparation non-uniformity and different scanning strategies on liquid-solid Laser-induced Breakdown Spectroscopy (LIBS) detection has not been fully explored. This study comprehensively analyzes how various solute distribution characteristics, such as solute area, shape, and uniformity, as well as different scanning strategies, impact spectral stability and quantitative accuracy. The analysis was conducted through theoretical modeling, simulations, and experimental validation. Experimental results revealed that for nine samples with same concentrations but varying morphologies, the average spectral intensity fluctuation was only 2.74 %. The findings show that solute non-uniformity has a minimal effect on spectral intensity, offering valuable insights into the actual impact of solute distribution. Among the scanning strategies evaluated, namely full coverage scanning, solute region scanning, and internal matrix array scanning, the solute region scanning strategy demonstrated superior performance. Evaluated using cadmium (Cd), manganese (Mn), and chromium (Cr), this method achieved an average <span><math><msup><mi>R</mi><mn>2</mn></msup></math></span> value of 0.992 and a detection limit (LOD) of 56.41 μg/L, representing a 43.40 % reduction in LOD compared to full coverage scanning. These results highlight the significance of optimizing scanning strategies over focusing solely on uniform solute distribution, paving the way for more effective and practical applications of LIBS in water quality monitoring.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107179"},"PeriodicalIF":3.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609923","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

Mechanisms of signal uncertainty generation in laser-induced breakdown spectroscopy within different flame regions

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-11 DOI: 10.1016/j.sab.2025.107186

Kaikai Kou , Zongyu Hou , Zhe Wang

{"title":"Mechanisms of signal uncertainty generation in laser-induced breakdown spectroscopy within different flame regions","authors":"Kaikai Kou , Zongyu Hou , Zhe Wang","doi":"10.1016/j.sab.2025.107186","DOIUrl":"10.1016/j.sab.2025.107186","url":null,"abstract":"<div><div>The inhomogeneous matrix of flame has distinct effects on signal uncertainty of laser-induced breakdown spectroscopy (LIBS) which hindered quantitative equivalence ratio measurement across the entire combustion field. The spectral signal uncertainty in different flame regions, including low-temperature premixed reactants and high-temperature products, were analyzed respectively. Using time-resolved spectra and fast photography techniques, the generation mechanism of spectral signal uncertainty was elucidated. The generation and evolution processes of plasma were affected by incident laser energy and properties of target gas medium. Under atmospheric conditions, excessive laser energies (≥ 100 mJ) in low-temperature premixed gases led to a rise in signal RSD due to the great disturbance caused by intense plasma rebounding process and consequent chemical reactions. In high-temperature reacting regions, only a small portion of laser energy could be deposited in plasma when the incident laser energy was low (< 60 mJ). Due to the distinct process of breakdown and laser-plasma interaction in reacting regions, a two-lobe structure plasma was discovered. The interaction between these lobes disrupted the plasma evolution process and caused high fluctuation in plasma morphology. Clear understanding of the generation mechanism of signal uncertainty is favor to optimize experimental parameters and improve LIBS quantitative performance in combustion diagnostics.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107186"},"PeriodicalIF":3.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609924","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

Spectral calibration for atmospheric particles analysis under non-precise focusing conditions using LIBS combined with transfer learning

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-07 DOI: 10.1016/j.sab.2025.107171

Yu Ding , Qiang Tan , Jianan Xu , Ao Hu , Meiling Zhao , Xiangchu Li , Yan Shu , Xinxin Liu

{"title":"Spectral calibration for atmospheric particles analysis under non-precise focusing conditions using LIBS combined with transfer learning","authors":"Yu Ding , Qiang Tan , Jianan Xu , Ao Hu , Meiling Zhao , Xiangchu Li , Yan Shu , Xinxin Liu","doi":"10.1016/j.sab.2025.107171","DOIUrl":"10.1016/j.sab.2025.107171","url":null,"abstract":"<div><div>Elemental analysis of atmospheric particulate matter is crucial for air-pollution research. However, the dispersed nature of these particles can lead to variations in the laser-focusing positions, which cause fluctuations in the laser-induced breakdown spectroscopy spectral data. In this study, a transfer-learning approach called transfer component analysis (TCA) is introduced to reduce the impact of spectral-data fluctuations on quantitative-analysis model predictions. First, dictionary learning combined with logistic regression is used to select the effective spectral data for which the laser successfully interacts with the particles. Second, TCA is used to migrate the data of pellet and dispersed atmospheric particles. Using partial least squares regression (PLSR), a TCA-PLSR model is established. The results indicate that the TCA-PLSR model significantly enhances the prediction performance, with test set coefficient of determination (R<sub>P</sub><sup>2</sup>), root mean square error (RMSE<sub>P</sub>), and mean relative error (MRE<sub>P</sub>) values of 0.9869, 60.33, and 0.1005, respectively. Compared with the PLSR model, R<sub>P</sub><sup>2</sup> improved by 55.05 %, RMSE<sub>P</sub> decreased by 81.09 %, and MRE<sub>P</sub> decreased by 82.68 %. This method effectively detects metal concentrations in atmospheric particles and offers a scientific basis for air-pollution monitoring.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107171"},"PeriodicalIF":3.2,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592475","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

Development of inductively coupled plasma tandem mass spectrometric method for the determination of cadmium in tumorous stem mustard (Brassica juncea var. tumida Tsen et Lee) using N2O as reaction gas

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-06 DOI: 10.1016/j.sab.2025.107170

Bo Jiang , Lin Chen , Zi-yang Yi , Bo-ping Hui , Qing-xia Lin , Zhen-peng Bin , Li-na Lin , Run-li Che , Chun-mei Nie , Jianhua Huang

{"title":"Development of inductively coupled plasma tandem mass spectrometric method for the determination of cadmium in tumorous stem mustard (Brassica juncea var. tumida Tsen et Lee) using N2O as reaction gas","authors":"Bo Jiang , Lin Chen , Zi-yang Yi , Bo-ping Hui , Qing-xia Lin , Zhen-peng Bin , Li-na Lin , Run-li Che , Chun-mei Nie , Jianhua Huang","doi":"10.1016/j.sab.2025.107170","DOIUrl":"10.1016/j.sab.2025.107170","url":null,"abstract":"<div><div>This work proposed a novel method to determine trace levels of Cd in tumorous stem mustard (TSM) using inductively coupled plasma tandem mass spectrometry (ICP-MS/MS). In the MS/MS mode, N<sub>2</sub>O was used as a reaction gas to eliminate spectral interference and optimize the analysis conditions. The accuracy and precision of the proposed method were evaluated by analysis of spinach leaves (SRM 1570a) as standard reference material and by comparing the obtained results with those achieved using sector field ICP-MS (SF-ICP-MS). The limit of detection (LOD) of Cd was in the range of 0.83–5.64 ng L<sup>−1</sup>, and the LOD of <sup>114</sup>Cd with the highest sensitivity was as low as 1.28 ng L<sup>−1</sup>. At a 95 % confidence level, no significant differences were found between the results obtained via this method and SF-ICP-MS (<em>p</em> > 0.05), with relative standard deviation (RSD) of 1.4 %–2.5 %. The experimental results indicate that the developed method exhibits high sensitivity, accuracy, and reliability, making it suitable for interference-free detection of trace Cd in TSM.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107170"},"PeriodicalIF":3.2,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609922","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

Double Pulse laser-induced breakdown spectroscopy (DP-LIBS): A Comprehensive technique Review

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-02-28 DOI: 10.1016/j.sab.2025.107168

Muhammad Rizwan , Muhammad Sher Afgan , Seher Saleem , Kaikai Kou , Zongyu Hou , Zhe Wang

{"title":"Double Pulse laser-induced breakdown spectroscopy (DP-LIBS): A Comprehensive technique Review","authors":"Muhammad Rizwan , Muhammad Sher Afgan , Seher Saleem , Kaikai Kou , Zongyu Hou , Zhe Wang","doi":"10.1016/j.sab.2025.107168","DOIUrl":"10.1016/j.sab.2025.107168","url":null,"abstract":"<div><div>Double pulse-laser induced breakdown spectroscopy (DP-LIBS) is one of the most widely adopted variants of laser-induced breakdown spectroscopy for rapid elemental analysis. DP-LIBS is an effective way of improving the emission line intensities and increasing the analytical capabilities of conventional LIBS. We comprehensively overviewed different aspects of DP-LIBS from fundaments to applications. The key mechanisms of pre-ablation, reheating, and interpulse delay have been discussed. Different geometrical configurations for the two pulses including collinear, cross-beam, orthogonal pre-ablation, and orthogonal reheating are outlined. The pulse durations of the ablating laser have a huge impact on the ablation process, thus, the effects of the temporal settings of the laser pulse duration are explained. This includes ns-ns, fs-fs, fs-ns, and long short DP-LIBS. The impacts of double-pulse LIBS on the ablation process and analytical outcomes such as signal intensity, repeatability, ablation rate, crater and plasma size, and plasma parameters are encapsulated. Finally, several DP-LIBS applications from metal and alloy analysis and explosive detection to industrial analysis have been stipulated. DP-LIBS approach results in a notable enhancement in the emission intensity; however, repeatability is a key parameter to consider for meaningful applications. Among different temporal configurations, long-short DP-LIBS provides relatively smoother and greater interaction of the laser beam with the plasma plume and sample, hence giving a more temporally efficient energy delivery to the plasma and sample making it more suitable for intensity enhancement and signal improvement among other variants.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"227 ","pages":"Article 107168"},"PeriodicalIF":3.2,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551523","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

Optimization of denoising approaches in the context of ultra-fast LIBS imaging

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-02-26 DOI: 10.1016/j.sab.2025.107167

Ruggero Guerrini , Cesar Alvarez-Llamas , Lucie Sancey , Vincent Motto-Ros , Ludovic Duponchel

{"title":"Optimization of denoising approaches in the context of ultra-fast LIBS imaging","authors":"Ruggero Guerrini , Cesar Alvarez-Llamas , Lucie Sancey , Vincent Motto-Ros , Ludovic Duponchel","doi":"10.1016/j.sab.2025.107167","DOIUrl":"10.1016/j.sab.2025.107167","url":null,"abstract":"<div><div>Laser-Induced Breakdown Spectroscopy (LIBS) has emerged as a powerful analytical tool capable of providing multi-elemental information from a single laser pulse with minimal sample preparation. This technique generates a laser-induced, transient plasma on the sample surface, whose spectral emission is analyzed to determine its elemental composition. μLIBS-Imaging, a variant offering spatially resolved elemental analysis, holds promise for applications in diverse fields such as industry, geology, forensics, and biomedicine. Our drive to go ever faster and analyze increasingly larger areas of interest in samples now compels us to use kHz lasers for this elemental imaging. Despite its potential, implementing such lasers in μLIBS-imaging would face diverse challenges mainly related to weak plasma emission and signal-to-noise ratio (SNR) degradation, particularly when applied to delicate biological samples. This paper investigates methods to enhance SNR in fast μLIBS imaging, particularly for biomedical applications. We focus on denoising techniques suitable for high-frequency laser applications, comparing methods like Savitzky-Golay smoothing, Fast Fourier Transform, wavelet-based filtering, Whittaker Filtering, and Principal Component Analysis (PCA). Our strategy optimizes denoising parameters for specific elemental emission peaks, enhancing SNR for individual elements of interest. The results demonstrate significant improvements in data quality, paving the way for more accurate and efficient elemental imaging in complex biomedical specimens.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"227 ","pages":"Article 107167"},"PeriodicalIF":3.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551524","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

Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-02-26 DOI: 10.1016/S0584-8547(25)00045-X

引用次数: 0

Monte Carlo simulations of energy dispersive X-ray fluorescence (EDXRF) of liquid and metallic samples: A comparison and experimental validation of MCNP and XRMC codes

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-02-20 DOI: 10.1016/j.sab.2025.107157

P. Zambianchi , M. Antoniassi , F.L. Melquiades , J.K. Zambianchi

{"title":"Monte Carlo simulations of energy dispersive X-ray fluorescence (EDXRF) of liquid and metallic samples: A comparison and experimental validation of MCNP and XRMC codes","authors":"P. Zambianchi , M. Antoniassi , F.L. Melquiades , J.K. Zambianchi","doi":"10.1016/j.sab.2025.107157","DOIUrl":"10.1016/j.sab.2025.107157","url":null,"abstract":"<div><div>The present study compares numerical simulations carried out by two Monte Carlo codes, the Monte Carlo N-Particle (MCNP) and the XRMC, of Energy Dispersive X-ray fluorescence (EDXRF) excited in liquid and metallic samples. The results are validated by measurements with a laboratory-made equipment, consisting of a mini X-ray tube (Moxtek, Inc., 4 W, Ag target) and a Si PIN detector model X123 (Amptek, Inc.), configured in the usual 45°/45° geometry. The liquid sample was a multielementar stock solution from High Purity Standards containing traces of the transition metals Cu, Fe, Mn, and Zn. For the solid samples, two metallic plates of standard reference materials were used, namely, a) a rectangular plate (6.9 mm × 43.4 mm, 1.5 mm thick) made of high purity copper; and b) a steel alloy plate (Duplex 2205 CRM) containing Si, Cr, Mn, Fe, Ni, Cu and Mo in its composition. The quantitative analysis of the relative peak intensities between the simulations and experiment reveals a difference of 0.4 % to 12.3 %, depending on the elemental characteristic line and sample composition. The results show an overall very good agreement between the simulations of the MCNP and XRMC codes with the experimental spectra, making them suitable for typical EDXRF applications involving metallic samples and multielement aqueous solutions.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"227 ","pages":"Article 107157"},"PeriodicalIF":3.2,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463439","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

General regularities in the behavior of the rare gas spectra in alternating electric fields

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-02-20 DOI: 10.1016/j.sab.2025.107155

E.V. Koryukina

引用次数: 0