Spectrochimica Acta Part B: Atomic Spectroscopy最新文献

{"title":"Spectral calibration for atmospheric particles analysis under non-precise focusing conditions using LIBS combined with transfer learning","authors":"Yu Ding ,&nbsp;Qiang Tan ,&nbsp;Jianan Xu ,&nbsp;Ao Hu ,&nbsp;Meiling Zhao ,&nbsp;Xiangchu Li ,&nbsp;Yan Shu ,&nbsp;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_P²), root mean square error (RMSE_P), and mean relative error (MRE_P) values of 0.9869, 60.33, and 0.1005, respectively. Compared with the PLSR model, R_P² improved by 55.05 %, RMSE_P decreased by 81.09 %, and MRE_P 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}

{"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 ,&nbsp;Lin Chen ,&nbsp;Zi-yang Yi ,&nbsp;Bo-ping Hui ,&nbsp;Qing-xia Lin ,&nbsp;Zhen-peng Bin ,&nbsp;Li-na Lin ,&nbsp;Run-li Che ,&nbsp;Chun-mei Nie ,&nbsp;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, N₂O 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⁻¹, and the LOD of ¹¹⁴Cd with the highest sensitivity was as low as 1.28 ng L⁻¹. At a 95 % confidence level, no significant differences were found between the results obtained via this method and SF-ICP-MS (<em>p</em> &gt; 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}

{"title":"Measurement of uranium content in resin within adsorption towers in the in-situ leaching uranium process by total reflection X-ray fluorescence (TXRF)","authors":"Xingyu Wang ,&nbsp;Siyu Liao ,&nbsp;Daqian Hei ,&nbsp;Jiatong Li ,&nbsp;Lian Chen ,&nbsp;Pingkun Cai ,&nbsp;Can Cheng","doi":"10.1016/j.sab.2025.107169","DOIUrl":"10.1016/j.sab.2025.107169","url":null,"abstract":"<div><div>Monitoring uranium content in the resin within adsorption columns is critical in the in-situ leaching (ISL) uranium extraction process, as it indicates when the resin requires replacement. This study employs total reflection X-ray fluorescence (TXRF) analysis with typical ISL leaching solutions to prepare samples for quantitative uranium analysis in resin. The study evaluates how leaching solution concentration, type, and volume affect detection efficiency. Assesses leaching solution elution efficiency by analyzing the suspension obtained after grinding the resin. Quantitative analysis results closely align with those from the laboratory pulse neutron method. TXRF enables rapid sample preparation and testing, making it ideal for quantitative uranium analysis in resin within adsorption columns during dynamic operation.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107169"},"PeriodicalIF":3.2,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620786","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":"Double Pulse laser-induced breakdown spectroscopy (DP-LIBS): A Comprehensive technique Review","authors":"Muhammad Rizwan ,&nbsp;Muhammad Sher Afgan ,&nbsp;Seher Saleem ,&nbsp;Kaikai Kou ,&nbsp;Zongyu Hou ,&nbsp;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}

{"title":"Optimization of denoising approaches in the context of ultra-fast LIBS imaging","authors":"Ruggero Guerrini ,&nbsp;Cesar Alvarez-Llamas ,&nbsp;Lucie Sancey ,&nbsp;Vincent Motto-Ros ,&nbsp;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}

{"title":"Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required","authors":"","doi":"10.1016/S0584-8547(25)00045-X","DOIUrl":"10.1016/S0584-8547(25)00045-X","url":null,"abstract":"","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"226 ","pages":"Article 107160"},"PeriodicalIF":3.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143509076","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}

{"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 ,&nbsp;M. Antoniassi ,&nbsp;F.L. Melquiades ,&nbsp;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}

{"title":"General regularities in the behavior of the rare gas spectra in alternating electric fields","authors":"E.V. Koryukina","doi":"10.1016/j.sab.2025.107155","DOIUrl":"10.1016/j.sab.2025.107155","url":null,"abstract":"<div><div>The behavior of the atomic emission spectra in alternating electric fields is studied in the unified theoretical approach based on numerical solution of the non-stationary Schrödinger equation. The developed approach implemented in the <em>StarkD</em> software package is free from limitations of perturbation theory. Based on the results of calculations, regularities in the behavior of the energy spectrum, the transition probabilities, and the intensities of the Stark components of the spectral lines of rare gas atoms He, Ne, Ar, and Kr have been established for the first time. These regularities make it possible to identify correctly the emission spectra in alternating electric fields. Additionally, the found regularities allow one to estimate the depletion rate of magnetic sublevels of atoms under changes in the electric field parameters, as well as to analyze the role of the electric field in the processes of quenching the atomic spectral lines and increasing their intensities. Practical applications of the obtained theoretical results are considered.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"227 ","pages":"Article 107155"},"PeriodicalIF":3.2,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143473930","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":"Ordered substrate based on gold film over SiO2 microspheres for increasing the sensitivity of the laser-induced breakdown spectroscopy method in the study of nanoparticles","authors":"M.A. Shevchenko ,&nbsp;A.N. Maresev ,&nbsp;M.O. Astafurov ,&nbsp;N.V. Tcherniega ,&nbsp;S.O. Klimonsky ,&nbsp;S.G. Dorofeev ,&nbsp;S.F. Umanskaya ,&nbsp;V.V. Voronova","doi":"10.1016/j.sab.2025.107159","DOIUrl":"10.1016/j.sab.2025.107159","url":null,"abstract":"<div><div>In this work, we present an ordered substrate obtained by the vertical deposition of SiO₂ microspheres coated with a gold layer to increase the sensitivity of the Laser-Induced Breakdown Spectroscopy (LIBS) method for analysis of TiO₂ nanoparticles. Plasmonic-ordered-structure-enhanced-LIBS method (POSELIBS) provides enhancement due to localized surface plasmon resonance of an ordered substrate.</div><div>Using computer modeling, the dependence of the maximum local field amplification on the excitation wavelength and geometric parameters of the substrate was investigated. Conditions close to resonance were selected to obtain the maximum amplification of the LIBS signal. Measurements were performed for off- and near-resonant ordered substrates, which are consistent with the modeling results. Using ordered substrates, an increase in the intensity of Ti emission lines by more than an order of magnitude, as well as a significant increase in signal stability, has been demonstrated. Optimal particle concentrations for the most effective signal enhancement were also determined. The ordered substrate synthesized via described method is a convenient way for LIBS signal resonance enhancement in a wide range of excitation wavelengths.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"226 ","pages":"Article 107159"},"PeriodicalIF":3.2,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143455003","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":"Evaluation of coffee-ring effect of serum and Ag NPs mixture drop stains using laser-induced breakdown spectroscopy mapping","authors":"Xinxin Zhang ,&nbsp;Xiaohui Li ,&nbsp;Xue Chen ,&nbsp;Mengshan Shi ,&nbsp;Tao Ren","doi":"10.1016/j.sab.2025.107158","DOIUrl":"10.1016/j.sab.2025.107158","url":null,"abstract":"<div><div>Nanoparticle-enhanced laser-induced breakdown spectroscopy (NELIBS) has shown great potential in improving the sensitivity of normal LIBS. However, the coffee-ring effect (CRE), often encountered when using the dry droplet method (DDM), may affect the accuracy of NELIBS measurements on bioliquid samples. In this paper, evaluation of the CRE of serum and silver nanoparticle (Ag NPs) mixture drop stains was investigated using LIBS mapping. Serum-Ag NPs mixture was dripped onto normal untreated silicon (Si) substrates for solid-liquid conversion using DDM. A two-dimensional grid scan of the whole drop stain was performed using a 1064 nm pulsed Nd: YAG laser, to generate the false-color distribution images of emitting species. The intensity distribution of the C I 247.86 nm line was used to distinguish the serum drop from the Si substrate, and to distinguish the center and ring regions of the stain. The CRE patterns varied for different emitting species. The distribution images of C, CN, Ca, and Mg emissions showed clear boundaries between the center and the ring regions. However, the K emission concentrated in the center region. The morphological variations of the coffee-rings were related to the mixing volume ratio of serum and Ag NPs. With the increase of Ag NPs, the distribution of emitting species in the center region became more uniform, and the CRE can be mitigated by adjusting the ratio of serum and Ag NPs. The intensities of the center and the ring regions were retrieved and evaluated. The percentage of the center region spectral intensity was more than 60 % relative to the whole drop stain, and gradually increased up to 98 % with the increase of Ag NPs. The variation trend of the spectral intensity of the center region was similar to that of the whole droplet. The enhancement effect of the Ag NPs on the spectral emissions was further investigated. When the volume ratio of serum to Ag NPs was 1:2, the highest enhancement factors for K I 766.49 nm line and Ca II 393.36 nm line were obtained as 2.27 and of 1.90, respectively. This work showed the potential of LIBS mapping in evaluation of the CRE of liquid drop stains. The results could provide important references for LIBS measurements of serum-Ag NPs drop stains on normal untreated solid substrates.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"227 ","pages":"Article 107158"},"PeriodicalIF":3.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463440","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}