Spectrochimica Acta Part B: Atomic Spectroscopy最新文献_第3页

Method validation and measurement uncertainty estimation in trace element determinations in water samples using total reflection X-rays fluorescence spectrometry

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-18 DOI: 10.1016/j.sab.2025.107192

Lee Suan Chua , Choon Yang Tee , Suan Gaik Tan

{"title":"Method validation and measurement uncertainty estimation in trace element determinations in water samples using total reflection X-rays fluorescence spectrometry","authors":"Lee Suan Chua , Choon Yang Tee , Suan Gaik Tan","doi":"10.1016/j.sab.2025.107192","DOIUrl":"10.1016/j.sab.2025.107192","url":null,"abstract":"<div><div>This study validated a spectrometric method to determine the concentration of 8 elements such as chromium, manganese, iron, nickel, copper, zinc, arsenic and lead in water samples using total reflection X-ray fluorescence (TXRF). Method validation was conducted to determine its linearity, precision, limit of detection (LOD), limit of quantitation (LOQ), reproducibility and robustness using a certified multielement standard. A broad linear range of concentration was achieved for the elements with high coefficient of determination, R<sup>2</sup> > 0.99, particularly the linearity of Fe and Zn extended up to 10,000 μg/L. Five replicate analyses reported high repeatability or precision with <5 % relative standard deviation. The LOD (0.88–2.37 μg/L) and LOQ (2.92–7.91 μg/L) inversely increased with the decreasing atomic number of elements. Highly reproducible results were achieved with the relative percent difference (RPD), <9 % between 2 different operators over a few weeks of testing. The spectrometer still maintained its robustness with <4 % RPD, even operating at elevated temperature at 32 °C. Method performance was verified through spiking tests in drinking water with 82.6 %–103.9 % recovery at 100–300 μg/L. Its high performance was also verified with element recoveries of 81.4 %–112.8 % at 300 μg/L in the complex matrix interference background of groundwater. The participation of proficiency testing for elements in waste water achieved satisfactory results with the z-score < 0.7. Instrument sensitivity was the main contributor of measurement uncertainty, ranging from 11.8 % to 12.8 % of the measured values. Therefore, TXRF is a fast, reliable and feasible technique for trace elemental analysis as demonstrated from its validation and verification data.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107192"},"PeriodicalIF":3.2,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143680647","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

How to address self-absorption in LIBS using millisecond time-width detectors

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-14 DOI: 10.1016/j.sab.2025.107188

Rodolfo Ariel Pérez , Yenner Paul Gómez Sánchez

引用次数: 0

Application of multicollector mass spectrometry and laser ablation in the study of magnesium isotopes fractionation phenomenon during transport through an ion-selective membrane

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-13 DOI: 10.1016/j.sab.2025.107182

Andrii Tupys , Magdalena Maj-Żurawska , Adriana Palińska-Saadi , Jakub Karasiński , Ludwik Halicz , Agata Jagielska , Barbara Wagner , Andrzej Lewenstam , Ewa Bulska

{"title":"Application of multicollector mass spectrometry and laser ablation in the study of magnesium isotopes fractionation phenomenon during transport through an ion-selective membrane","authors":"Andrii Tupys , Magdalena Maj-Żurawska , Adriana Palińska-Saadi , Jakub Karasiński , Ludwik Halicz , Agata Jagielska , Barbara Wagner , Andrzej Lewenstam , Ewa Bulska","doi":"10.1016/j.sab.2025.107182","DOIUrl":"10.1016/j.sab.2025.107182","url":null,"abstract":"<div><div>The process of magnesium ions transport through a membrane selective for Mg was studied using multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) and laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) techniques. A system with an ion-selective membrane containing a magnesium ionophore (ETH 5220), a lipophilic salt (potassium tetrakis(<em>p</em>-chlorophenyl)borate), plasticizers (chloroparaffin, <em>o</em>-nitrophenyl phenyl ether), and a polymeric matrix (polyvinyl chloride), which separates the magnesium salt solution from the solution containing calcium salt, was constructed. Elemental and isotopic analyses of the solutions on both sides of the membrane, as well as the membrane surface itself, were conducted.</div><div>Changes in magnesium and calcium concentrations in the solutions bathing both sides of the membrane confirmed that ions of these metals are transported from one side of the membrane to the other. It was hypothesized that, similarly to the kinetic factors in chemical reactions, the lighter isotopes are favoured in transmembrane transport by these factor. Consequently, when magnesium ion passes through the membrane, the solution after passage becomes enriched in the lighter isotope <sup>24</sup>Mg. Supporting this assumption, the MC-ICP-MS technique used to measure the Mg isotope ratio at the membrane passage indicated the Mg isotopic fractionation (δ<sup>26</sup>Mg) up to −1.5 ‰ relative to the initial solution. Obtained results proved the ability of isotope ratio measurements to evaluate the diffusion process of magnesium through this kind of membranes.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107182"},"PeriodicalIF":3.2,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628195","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

LIBS signals statistics for gated and time-integrated acquisition

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-12 DOI: 10.1016/j.sab.2025.107181

V.N. Lednev, P.A. Sdvizhenskii, A.V. Rogachevskaya, S.V. Gudkov, S.M. Pershin, A.F. Bunkin

引用次数: 0

Optimisation of the drying method during sample preparation for total reflection X-ray fluorescence measurements using acid digested biological reference materials 使用酸消化生物参考材料进行全反射 X 射线荧光测量时，优化样品制备过程中的干燥方法

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-12 DOI: 10.1016/j.sab.2025.107187

Paula Kasprzyk, Paweł M. Wróbel, Wiktoria Tokarczyk, Magdalena Szczerbowska-Boruchowska

{"title":"Optimisation of the drying method during sample preparation for total reflection X-ray fluorescence measurements using acid digested biological reference materials","authors":"Paula Kasprzyk, Paweł M. Wróbel, Wiktoria Tokarczyk, Magdalena Szczerbowska-Boruchowska","doi":"10.1016/j.sab.2025.107187","DOIUrl":"10.1016/j.sab.2025.107187","url":null,"abstract":"<div><div>Sample processing is one of the key steps in the analysis by the Total Reflection X-ray Fluorescence (TXRF) method. However, the preparation of the sample itself for measurement can present many difficulties and introduce many errors visible in the measurement results. In this work, we have attempted to verify whether, in the case of biological specimens, such an effect can be caused by the applied sample drying procedure. For this purpose samples of four reference materials - apple leaves, tomato leaves, oyster tissue and beef liver, were acid digested. Ten replicates were prepared for each reference material and dried using five methods: laminar flow chamber (LFC), 100 mbar vacuum chamber (VC), 250 W infrared lamp (IR) and hot-plate with the use of two heating temperatures i.e. 45 °C and 75 °C (HP45, HP75). The results showed that, in the context of measuring a multi-element sample, the choice of drying method has no significant effect on the final TXRF quantitative results.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107187"},"PeriodicalIF":3.2,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143628014","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

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

Study of the discharge mode transition in a Ne-flexible micro-tube plasma (FμTP)

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-11 DOI: 10.1016/j.sab.2025.107180

Caiyan Tian , Luisa Speicher , Hao Song , Norman Ahlmann , Sebastian Brandt , Guanghui Niu , Joachim Franzke

{"title":"Study of the discharge mode transition in a Ne-flexible micro-tube plasma (FμTP)","authors":"Caiyan Tian , Luisa Speicher , Hao Song , Norman Ahlmann , Sebastian Brandt , Guanghui Niu , Joachim Franzke","doi":"10.1016/j.sab.2025.107180","DOIUrl":"10.1016/j.sab.2025.107180","url":null,"abstract":"<div><div>Not only Helium and Argon but also Neon, Krypton, and Xenon can be used as plasma gas for a discharge applied for soft ionization with similar ionization efficiency, although it is clear that each of the excited and even ionized states of Xe is lower than the ion energy of N<sub>2</sub><sup>+</sup> or H<sub>3</sub>O<sup>+</sup>. In this work, the discharge behavior of these plasmas both inside and outside of the capillary was investigated to study the mechanisms of soft ionization. Two discharge modes were found. In He- and Ne<sub>2.0 kV</sub> -FμTP, the ionization wave of N<sub>2</sub><sup>+</sup> is mainly responsible for the propagation of excitation and ionization inside the capillary while the ionization wave of noble gas ions plays the role in Ar-, Kr- and Xe-FμTP. With an increase of the applied voltage, Ne<sub>2.5 kV</sub> -FμTP fulfils characteristics of both categories. All the measured ionization waves stop in the vicinity of the capillary outlet. For all plasmas, the propagation of excitation wave is tracked in ambient surrounding, which hints that an ionization wave is propagating outside the capillary. It is assumed that ions species of air components such as N<sub>2</sub><sup>+</sup>, O<sub>2</sub><sup>+</sup> and H<sub>3</sub>O<sup>+</sup> are generated in the ambient surrounding. The ionization wave of these ions continues supporting the propagation of the excitation wave.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107180"},"PeriodicalIF":3.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629465","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

Barium isotopic analysis of geological reference materials by MC-ICP-MS

IF 3.2 2区化学

Spectrochimica Acta Part B: Atomic Spectroscopy Pub Date : 2025-03-11 DOI: 10.1016/j.sab.2025.107185

Shunrong Ma , Guilin Han , Qian Zhang , Jinke Liu , Ziyang Ding , Ye Zhao

{"title":"Barium isotopic analysis of geological reference materials by MC-ICP-MS","authors":"Shunrong Ma , Guilin Han , Qian Zhang , Jinke Liu , Ziyang Ding , Ye Zhao","doi":"10.1016/j.sab.2025.107185","DOIUrl":"10.1016/j.sab.2025.107185","url":null,"abstract":"<div><div>Barium (Ba) isotopes have been developed as a valuable tracer for chemical weathering, marine biogeochemical processes, and riverine Ba input to the ocean. To facilitate inter-laboratory data comparisons, it is essential to measure Ba isotope ratios of widely available reference materials. We presented 21 geological reference materials, most of which are new stream sediment Ba isotope reference materials in this study. Purification of synthetic solutions and rock samples with different Ba concentrations and matrix compositions, showed similar elution curves with recoveries close to 100 %. The long-term reproducibility for δ<sup>138/134</sup>Ba measurements was ≤0.07 ‰ (2SD). The results indicated that the Ba isotope ratios of AGV-2, BCR-2, BHVO-2, GSP-2, RGM-2, GSS-2, GSR-1, GSR-2 and GSR-5 were in good agreement within analytical uncertainties with previously published data. The δ<sup>138/134</sup>Ba values of sediment materials ranged from −0.31 ± 0.06 ‰ to 0.03 ± 0.07 ‰.With the exception of one stream sediment from a carbonate tributary, all analyzed sediment reference materials exhibited significant homogeneity in Ba isotopic composition, with an average δ<sup>138/134</sup>Ba of 0.01 ± 0.06 ‰, which was in excellent agreement with the upper continental crust (0.00 ± 0.05 ‰) and the bulk silicate earth (0.07 ± 0.08 ‰). This dataset of reference materials in this study provides the basis for data quality assurance and later inter-laboratory comparison of Ba isotope analyses.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"228 ","pages":"Article 107185"},"PeriodicalIF":3.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642448","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