Journal of Analytical Atomic Spectrometry最新文献

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Quantitative analysis of Cu, Zn, and Pb elements in ores by X-ray fluorescence using a hierarchical convolutional network with attention excitation 基于层次卷积神经网络的x射线荧光定量分析矿石中的Cu、Zn和Pb元素
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-23 DOI: 10.1039/D5JA00047E
Ahmed A. AL-Tameemi, Fusheng Li, Qinglun Zhang, Zenan Xiao, Wanqi Yang and Shubin Lyu
{"title":"Quantitative analysis of Cu, Zn, and Pb elements in ores by X-ray fluorescence using a hierarchical convolutional network with attention excitation","authors":"Ahmed A. AL-Tameemi, Fusheng Li, Qinglun Zhang, Zenan Xiao, Wanqi Yang and Shubin Lyu","doi":"10.1039/D5JA00047E","DOIUrl":"https://doi.org/10.1039/D5JA00047E","url":null,"abstract":"<p >Precise determination of heavy metal element concentrations in ores is vital for sustainable resource utilization, environmental protection, and industrial applications. X-ray fluorescence spectroscopy (XRF) has emerged as a preferred technique owing to its non-destructive, rapid, and on-site analytical capabilities. However, challenges such as matrix effects, spectral line interference, and instrumental noise often limit its accuracy. In this paper, a novel deep learning model, the Hierarchical Convolutional Network with Attention Excitation (HCNAE) is developed to enhance the prediction of heavy metal element quantification, copper (Cu), zinc (Zn), and lead (Pb), in ores using XRF spectra. First, ore spectra were acquired using a handheld XRF analyzer. Second, to address challenges such as spectral continuity, inter-channel correlations, and matrix effects, a HCNAE was developed. The HCNAE model incorporates hierarchical convolutional layers for global and local feature extraction and a squeeze-and-excitation (SE) mechanism for dynamic channel recalibration. Finally, the model integrates feature extraction, attention mechanisms, and regression tasks in an end-to-end framework, enabling the accurate concentration estimation of heavy metal elements. The performance of the model was compared with six widely used machine learning and deep learning algorithms to ensure a comprehensive evaluation. The HCNAE achieved coefficients of determination of 0.9961, 0.9715, and 0.9894 for Cu, Zn, and Pb, respectively. The results demonstrate the effectiveness of the HCNAE in mitigating matrix effects and spectral interference in XRF, offering accurate predictions even under challenging conditions. This study presents HCNAE as a scalable and innovative solution for heavy metal element quantification in ores, providing a strong foundation for advancements in mining and geological research.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1580-1590"},"PeriodicalIF":3.1,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213681","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
On the non-universality of distance metrics in laser-induced breakdown spectroscopy† 激光诱导击穿光谱中距离度量的非普适性
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-22 DOI: 10.1039/D4JA00377B
J. Vrábel, E. Képeš, P. Nedělník, A. Záděra, P. Pořízka and J. Kaiser
{"title":"On the non-universality of distance metrics in laser-induced breakdown spectroscopy†","authors":"J. Vrábel, E. Képeš, P. Nedělník, A. Záděra, P. Pořízka and J. Kaiser","doi":"10.1039/D4JA00377B","DOIUrl":"https://doi.org/10.1039/D4JA00377B","url":null,"abstract":"<p >The ability to measure similarity between high-dimensional spectra is crucial for numerous data processing tasks in spectroscopy. Many popular machine learning algorithms depend on, or directly implement, a form of similarity or distance metric. Despite its profound influence on algorithm performance and sensitivity to signal fluctuations, the selection of an appropriate metric remains often neglected within the spectroscopic community. This work aims to shed light on the metric selection process in Laser-Induced Breakdown Spectroscopy (LIBS) and study consequences for data analysis and analytical performance in selected applications. We studied six relevant distance metrics: Euclidean, Manhattan, cosine, Siamese, fractional, and mutual information. We assessed their response to changes in sample composition, additive noise, and signal intensity. Our results show specific vulnerabilities of commonly used metrics, such as the Euclidean metric's high sensitivity to additive noise and the cosine metric's sensitivity to spectral shifts. The Siamese metric stood out in the majority of studied cases and outperformed others in a direct comparison within the spectra classification task. This work provides basic guidelines for selecting metrics in various contexts. The methodology is general and can be directly extended to other spectroscopic techniques that possess comparable data properties.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1552-1565"},"PeriodicalIF":3.1,"publicationDate":"2025-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ja/d4ja00377b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213680","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
In situ analysis of titanium isotope ratios in stardust using LA-CC-MC-ICPMS/MS† 利用LA-CC-MC-ICPMS/MS原位分析星尘中钛同位素比值。
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-15 DOI: 10.1039/D5JA00068H
Kathryn M. M. Shaw, Markus Pfeifer, Benjamin L. L. Coath, Jamie Lewis, Dan Bevan, Christopher D. Coath and Tim Elliott
{"title":"In situ analysis of titanium isotope ratios in stardust using LA-CC-MC-ICPMS/MS†","authors":"Kathryn M. M. Shaw, Markus Pfeifer, Benjamin L. L. Coath, Jamie Lewis, Dan Bevan, Christopher D. Coath and Tim Elliott","doi":"10.1039/D5JA00068H","DOIUrl":"10.1039/D5JA00068H","url":null,"abstract":"<p >Presolar grains are nanometre-scale dust grains that exhibit large isotope excursions that illustrate the stellar isotopic input into the Solar System. Further, it is thought that they were differentially incorporated into meteorite parent bodies and thus can be used to trace planetary genetics and construction. <em>In situ</em> mapping of the distribution of presolar grains in the matrix of primitive meteorites therefore provides a key means to achieve this goal. However, <em>in situ</em> methods complicate isotopic measurements, such as those of Ti, due to their large isobaric interferences. To enable such measurements a prototype a collision cell, multicollector inductively-coupled plasma mass spectrometer with a pre-cell mass filter (CC-MC-ICPMS/MS) was developed and called Proteus. In this study we show that, when coupled to a laser ablation system, Proteus has the capability to measure, <em>in situ</em>, large Ti isotope excursions such as those expected in presolar grains (&gt;200‰). Within the collision cell we introduced O<small><sub>2</sub></small> gas and react Ti<small><sup>+</sup></small> to TiO<small><sup>+</sup></small> and perform the multi-collector isotope ratio measurement on the TiO<small><sup>+</sup></small> species. The presence of isobaric interferences from Ca<small><sup>+</sup></small>, V<small><sup>+</sup></small>, and Cr<small><sup>+</sup></small> are greatly reduced due to their lower ion reaction efficiency with O<small><sub>2</sub></small> gas. The measurement of TiO<small><sup>+</sup></small> using the pre-cell mass filter ensures that these ions are measured in a cleared region of the mass-spectrum where a Ni<small><sup>+</sup></small>, Cu<small><sup>+</sup></small>, and Zn<small><sup>+</sup></small> ions would otherwise be present as interferences. Using this technique, complex rock samples with high Ca/Ti and Cr/Ti, for example BIR-1G, give the same mass-independent isotopic Ti ratios as essentially pure Ti-minerals, <em>e.g.</em> brookite. By reducing isobaric interferences from <em>in situ</em> measurements we can detect the large isotopic excursions in presolar grains without the added impediment of non-solar interference corrections for isobaric interferences.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1566-1579"},"PeriodicalIF":3.1,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12097295/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144140974","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
Recent advances in LIBS technology for rock detection: from systems to methods 岩石探测LIBS技术的最新进展:从系统到方法
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-08 DOI: 10.1039/D4JA00450G
Jiujiang Yan, Jinxiu Ma, Ke Liu, Yang Li and Kailong Li
{"title":"Recent advances in LIBS technology for rock detection: from systems to methods","authors":"Jiujiang Yan, Jinxiu Ma, Ke Liu, Yang Li and Kailong Li","doi":"10.1039/D4JA00450G","DOIUrl":"https://doi.org/10.1039/D4JA00450G","url":null,"abstract":"<p >Laser-induced breakdown spectroscopy (LIBS) has advanced rapidly in rock detection applications. We comprehensively reviewed its advancements over the past five years, which mainly focus on the detection system and analysis method of LIBS. In terms of the LIBS system, four types of LIBS systems and their improvement approaches were summarized. Then, the qualitative and quantitative analysis methods of LIBS technology for rock detection based on machine learning, deep learning, and transfer learning were analyzed and illustrated. Results showed that compact LIBS systems were commonly used in the qualitative and quantitative analysis of rocks due to their lightweight design, high integration, and outstanding system performance which were also the crucial factors that researchers and end-users need to balance. Meanwhile, remote and hybrid LIBS systems demonstrated exceptional capabilities in advanced applications, including lunar surface analysis and Martian geological exploration. Furthermore, the existing qualitative and quantitative analysis methods for rock detection were increasingly inseparable from intelligent algorithms such as machine learning, deep learning and transfer learning, and the latter two gradually became a new trend in this field. This study is expected to provide a meaningful reference for the detection of rock and geology areas using LIBS technology.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1447-1468"},"PeriodicalIF":3.1,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213741","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
Innovative sample preparation method using a conductively heated digestion system for trace element analysis of radioactive oil sludge by ICP-OES† 创新的样品制备方法,采用导电加热消化系统的ICP-OES†分析放射性油泥的微量元素
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-08 DOI: 10.1039/D5JA00042D
Aline Leone Muguet Pinto, Alexandre Luiz de Souza, Leandro Goulart de Araujo, Julio Takehiro Marumo, Marycel Elena Barboza Cotrim and Sabine Neusatz Guilhen
{"title":"Innovative sample preparation method using a conductively heated digestion system for trace element analysis of radioactive oil sludge by ICP-OES†","authors":"Aline Leone Muguet Pinto, Alexandre Luiz de Souza, Leandro Goulart de Araujo, Julio Takehiro Marumo, Marycel Elena Barboza Cotrim and Sabine Neusatz Guilhen","doi":"10.1039/D5JA00042D","DOIUrl":"https://doi.org/10.1039/D5JA00042D","url":null,"abstract":"<p >This study presents a novel and efficient sample preparation method based on conductively heated digestion in closed vessels (CHDS), employing collagen capsules as a transfer medium. The method was specifically developed for the treatment of oil sludge—a complex waste product generated by the oil industry, typically composed of hydrocarbons, water, sediments, processing residues, and radionuclides from the uranium-238 and thorium-232 decay chains. Compared to conventional open-vessel digestion techniques using heating blocks, this approach offers several advantages, including reduced sample and reagent volumes, significantly shorter preparation times, and minimized contamination risks. Trace element concentrations in the digested samples were determined by inductively coupled plasma optical emission spectrometry (ICP-OES).</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1475-1482"},"PeriodicalIF":3.1,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213742","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
On the use of end-on observation in optical emission spectroscopy measurements of the maximum electric field strength in the cathode sheath of Grimm-type glow discharges in helium 端对观测在发射光谱法测量氦中grmm型辉光放电阴极鞘层最大电场强度中的应用
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-07 DOI: 10.1039/D5JA00041F
Nikodin V. Nedić, Nikola V. Ivanović, Ivan R. Videnović, Djordje Spasojević and Nikola Konjević
{"title":"On the use of end-on observation in optical emission spectroscopy measurements of the maximum electric field strength in the cathode sheath of Grimm-type glow discharges in helium","authors":"Nikodin V. Nedić, Nikola V. Ivanović, Ivan R. Videnović, Djordje Spasojević and Nikola Konjević","doi":"10.1039/D5JA00041F","DOIUrl":"https://doi.org/10.1039/D5JA00041F","url":null,"abstract":"<p >To confirm the fundamental principles that enable using conventional end-on view optical emission spectroscopy (OES) to estimate maximum electric field strength in the cathode sheath of a standard Grimm-type DC glow discharge source (GDS), we have extended our previous investigation (Nedić <em>et al.</em>, <em>J. Anal. At. Spectrom.</em>, 2022, <strong>37</strong>, 1318) in neon and argon to helium. We compared the spectral line profiles recorded from the standard Grimm GDS, with the only available optical path through the anode cylinder from the cathode to the end of the discharge (end-on view) with those recorded from the modified Grimm-type source, which enables not only the end-on view, but also the observations along the optical path parallel to the cathode surface, from the side of the discharge (side-on view). While the end-on OES collects the integral light from the entire discharge, the side-on view enables spatially resolved OES and “sliced” studies of different discharge regions, from the cathode surface towards the negative glow plasma. The forbidden components of the neutral helium spectral lines He I 447.148 nm and He I 492.193 nm were detected in the integral end-on recordings, testifying to the possibility to “look behind” the bright negative glow into the Stark effect influence of the macroscopic electric field in the cathode sheath. The comparison of the end-on recorded forbidden (F) line shift Δ<em>λ</em><small><sub>(0–F)e</sub></small> from its central wavelength <em>λ</em><small><sub>0</sub></small> with the wavelength separation of the allowed (A) and forbidden component Δ<em>λ</em><small><sub>(A–F)s</sub></small> in direct side-on observations of the cathode sheath at the position of the maximum electric field <em>F</em><small><sub>max</sub></small> yields a stable linear correlation in a broad range of typical discharge conditions (pressure, voltage, current) and cathode materials. This correlation confirms that the effects of the macroscopic electric field can be registered in end-on recordings, which enables the use of conventional OES from the end of the Grimm-type GDS to extract useful information on the maximum electric field strength and thickness of the cathode sheath.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1591-1601"},"PeriodicalIF":3.1,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213682","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
Comparing atomic spectroscopy, molecular spectroscopy and multi-source spectroscopy synergetic fusion for quantitation of total potassium in culture substrates 比较原子光谱法、分子光谱法和多源光谱协同融合法测定培养基中总钾含量
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-06 DOI: 10.1039/D5JA00071H
Bing Lu, Xufeng Wang, Can Hu, Shiping Zhu and Xiangyou Li
{"title":"Comparing atomic spectroscopy, molecular spectroscopy and multi-source spectroscopy synergetic fusion for quantitation of total potassium in culture substrates","authors":"Bing Lu, Xufeng Wang, Can Hu, Shiping Zhu and Xiangyou Li","doi":"10.1039/D5JA00071H","DOIUrl":"https://doi.org/10.1039/D5JA00071H","url":null,"abstract":"<p >The rapid assessment of total potassium in a culture substrate is of great significance for scientific planting and reducing agricultural non-point-source pollution. In this study, laser-induced breakdown spectroscopy (LIBS) and near-infrared spectroscopy (NIRS) were explored for the rapid detection of culture substrate total potassium at atomic and molecular scales, respectively. In addition, a new method based on atomic and molecular spectral information synergetic fusion for detection was also proposed. Single-spectrum detection models and LIBS–NIRS synergetic fusion prediction models were established. The results showed that LIBS univariate calibration curves and the NIRS detection model showed poor detection performance. The detection accuracy of models constructed from LIBS full variables, UVE-filtered LIBS variables and two LIBS variables with strong spectral line characteristics was significantly improved, but there was still great room for improvement. High-precision detection would be realized through LIBS–NIRS synergetic fusion. The simplest and optimal model would be constructed by combining the strong spectral line characteristics of LIBS and the NIRS spectral characteristics of SPA screening, and this model was conducive to the development of special detection equipment based on a photomultiplier tube as the core component of signal detection. At this moment, the number of model input variables was only 9, the determination coefficient and root mean square error of the calibration set were 0.9910 and 0.8523 g kg<small><sup>−1</sup></small>, respectively, and the corresponding values of the prediction set were 0.9900 and 0.8802 g kg<small><sup>−1</sup></small>. The fusion of LIBS and NIRS was feasible, and it could improve the robustness of the prediction model.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1536-1551"},"PeriodicalIF":3.1,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213679","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
Chlorine determination in cement paste samples using laser-induced breakdown spectroscopy and non-matching matrix calibration samples† 用激光诱导击穿光谱和非匹配基质校准样品测定水泥膏体样品中的氯
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-05-06 DOI: 10.1039/D4JA00370E
Lucie Kratochvilová, David Prochazka, Tomáš Opravil, Pavel Pořízka and Jozef Kaiser
{"title":"Chlorine determination in cement paste samples using laser-induced breakdown spectroscopy and non-matching matrix calibration samples†","authors":"Lucie Kratochvilová, David Prochazka, Tomáš Opravil, Pavel Pořízka and Jozef Kaiser","doi":"10.1039/D4JA00370E","DOIUrl":"https://doi.org/10.1039/D4JA00370E","url":null,"abstract":"<p >This paper deals with determining the chlorine content in cement matrixes using non-matching calibration samples made from microsilica and potassium chloride. We aimed to make easy-to-prepare calibration samples and determine the chlorine content in cement paste samples. To create proper cement paste samples, it is necessary to allow the concrete to mature for 28 days. Also, this methodology enables faster calibration and higher throughput in routine analysis. To suppress the matrix effect, we tested several strategies of signal normalization and then compared the reference (known) and the predicted chlorine content. Best results were obtained when we normalized the intensity of the chlorine line by a parameter proportional to the particle number density which was <em>a priori</em> determined by the intensity of the hydrogen emission line (H<small><sub>α</sub></small>) and full width at half-maximum (FWHM). With this parameter, we obtained a high-reliability coefficient for the calibration curve (<em>R</em><small><sup>2</sup></small> = 0.99) and the best prediction for total chloride content in cement paste, with a sum of mean squares of the prediction error of 0.22 wt%.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1518-1525"},"PeriodicalIF":3.1,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ja/d4ja00370e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213677","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
Flame equivalence ratio measurement using data fusion based on laser-induced plasma spectra and acoustic signals 基于激光诱导等离子体光谱和声学信号的数据融合火焰等效比测量
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-04-29 DOI: 10.1039/D5JA00036J
Yifan Luo, Yangyang Zhao, Jiaxu Zhang, Nan Li, Linglei He, Yongqiu Zheng and Chenyang Xue
{"title":"Flame equivalence ratio measurement using data fusion based on laser-induced plasma spectra and acoustic signals","authors":"Yifan Luo, Yangyang Zhao, Jiaxu Zhang, Nan Li, Linglei He, Yongqiu Zheng and Chenyang Xue","doi":"10.1039/D5JA00036J","DOIUrl":"https://doi.org/10.1039/D5JA00036J","url":null,"abstract":"<p >Laser-induced breakdown spectroscopy (LIBS) has been proven to be employed in combustion diagnostics. However, the detection performance of flame equivalence ratios by LIBS could be further improved, since the equivalence ratio is an important parameter for monitoring and optimizing combustion processes. In this work, we propose a measurement method of the flame equivalence ratio based on data fusion by combining laser-induced plasma spectra and acoustic signals. An experimental platform for simultaneous detection of plasma spectra and acoustic signals was established to study the spectral and acoustic characteristics of plasmas in flames with different equivalence ratios. The characteristic lines of C I 247.86 nm, CN (0–0) 388.29 nm, H I 656.28 nm, N I 746.83 nm and O I 777.42 nm were selected for spectral analysis. A gradual increasing and then decreasing trend of line intensities with delay time was obtained, while line intensities gradually increase with the laser energy. It is shown that the optimal spectral detection conditions are a laser energy of 85 mJ and a delay time of 200 ns for obtaining high-quality spectral signals. In addition, the dependence of the flame plasma acoustic signals on detection angles and detection distances was also investigated, with the optimal detection conditions at a detection angle of 30° and a distance of 10 cm. It is found that the spectral line intensity ratios and the peak-to-peak values of acoustic signals both have a strong linear relationship with the flame equivalence ratios, enabling them to be used for the measurement of the equivalence ratio. The prediction performances for flame equivalence ratios of five different methods, including the standard curve method with spectra, PLS-DA with spectra, standard curve method with acoustic signals, PLS-DA with acoustic signals and data fusion, were compared. It is worth noting that the utilization of the data fusion strategy obviously improves the prediction accuracy by integrating the spectral and acoustic features of the plasma, enabling the prediction error of the validation samples to be reduced by 3 times. The present results demonstrate the effectiveness of the data fusion strategy combining spectral and acoustic signals of laser-induced plasmas for the accurate measurement of flame equivalence ratios, which plays an important role in combustion diagnostics.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 6","pages":" 1494-1504"},"PeriodicalIF":3.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213744","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
Determination of the uptake of lanthanide doped-carbon dots by human cells using single cell ICP-ToF-MS† 单细胞ICP-ToF-MS法测定人细胞对镧系掺杂碳点的吸收
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2025-04-28 DOI: 10.1039/D5JA00075K
Guillermo Redondo-Fernandez, Kharmen Billimoria, Simon Cowen, David Ojeda, Dorota Bartczak, Ana Soldado, Jose M. Costa-Fernandez and Heidi Goenaga-Infante
{"title":"Determination of the uptake of lanthanide doped-carbon dots by human cells using single cell ICP-ToF-MS†","authors":"Guillermo Redondo-Fernandez, Kharmen Billimoria, Simon Cowen, David Ojeda, Dorota Bartczak, Ana Soldado, Jose M. Costa-Fernandez and Heidi Goenaga-Infante","doi":"10.1039/D5JA00075K","DOIUrl":"https://doi.org/10.1039/D5JA00075K","url":null,"abstract":"<p >As the application of engineered nanoparticles in medical fields grows, there is a rising demand for techniques capable of determining how they interact with biological entities, including cells. Single Cell Inductively Coupled Plasma Time-of-Flight Mass Spectrometry (sc-ICP-ToF-MS) has been shown potential to assess the mass of nanoparticle tags uptaken by individual cells. However, this approach suffers from challenges related to inconsistencies in transport efficiency (TE) determination and data processing protocols, which greatly impact the quality of the data. To address these issues, a novel metrological approach for the identification of cell events and determination of their TE is presented here for the first time. It is based on using the ratio of Eu to Yb signals in a single event to distinguish cellular events from background noise when analyzing HeLa cells tagged with lanthanide-doped carbon dots (Ln-CDs). To achieve this, Ln-CDs with Eu (4.3%) and Yb (3.4%) were synthesized, characterized and cytotoxicity assays were performed to confirm their biocompatibility. HeLa cells were exposed to these multielement Ln-CDs at varying concentrations to evaluate their cellular uptake. Laser ablation (LA)-ICP-MS analysis of individual isolated cells (<em>n</em> = 1578) confirmed cell tagging efficiency of 99.87%. Using this approach and CytoNeb–CytoSpray interface, TE values between 40–50% were achieved. The results showed a dosage dependent uptake of Ln-CDs by cells, with final concentrations ranging from 6.8 to 5115 fg Ln-CDs per cell.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 5","pages":" 1403-1410"},"PeriodicalIF":3.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ja/d5ja00075k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143913795","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
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