Journal of Analytical Atomic Spectrometry最新文献

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Potential of external (in air) particle induced gamma-ray emission method for the preparation of isotopic composition of boron in-house reference standard in boron carbide matrix for quality control work 外部(空气中)粒子诱导伽马射线发射法在碳化硼基质中制备硼内部参考标准同位素组成的潜力,用于质量控制工作
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-08 DOI: 10.1039/D4JA00156G
Sk Wasim Raja, R. Acharya, Arati D. Sonawane, T. S. R. C. Murthy and S. Majumdar
{"title":"Potential of external (in air) particle induced gamma-ray emission method for the preparation of isotopic composition of boron in-house reference standard in boron carbide matrix for quality control work","authors":"Sk Wasim Raja, R. Acharya, Arati D. Sonawane, T. S. R. C. Murthy and S. Majumdar","doi":"10.1039/D4JA00156G","DOIUrl":"10.1039/D4JA00156G","url":null,"abstract":"<p >The quality control (QC) of an analytical method for any analytical data measurement depends directly on the matrix matching standard and certified reference material (CRM). In many cases, obtaining a matrix match standard and an RM or CRM as a control sample in sufficient amounts for QC analysis is difficult. It is also not advised to use a CRM as a standard for routine analysis owing to its high cost and availability in lower quantities. In view of this, in-house reference standards/materials for isotopic compositions of boron (IC, <small><sup>10</sup></small>B/<small><sup>11</sup></small>B atom ratio) in natural and enriched boron carbide matrix were prepared in the present work. These in-house reference standards/materials will be helpful for method validation, quality control and quality assurance in the IC determination of boron carbide samples using particle induced gamma-ray emission (PIGE) method. A total of five different isotopic compositions, namely natural (19.8 atom% of <small><sup>10</sup></small>B) and 30, 40, 50 and 67 atom% of <small><sup>10</sup></small>B-enriched B<small><sub>4</sub></small>C, were prepared in sufficient quantities (0.8 kg each). Homogeneity and stability tests were performed for the prepared materials with respect to their isotopic composition by analysing direct powder samples using the external PIGE method, and they were found sufficiently homogeneous and stable for the property value for use as in-house reference standards. Assigned values of isotopic compositions were determined through external PIGE using both powder and pellet samples. The obtained values of the isotopic compositions are 0.247(1), 0.427(2), 0.662(3), 0.991(4), and 2.028(7) for the natural and 30, 40, 50 and 67 atom% of <small><sup>10</sup></small>B-enriched boron carbide, respectively.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2278-2289"},"PeriodicalIF":3.1,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141569017","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
Towards the best total consumption infrared-heated sample introduction system for nanoparticle measurement using single particle inductively coupled plasma mass spectrometry† 为使用单颗粒电感耦合等离子体质谱仪测量纳米颗粒开发最佳总消耗量红外加热样品导入系统
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-04 DOI: 10.1039/D4JA00075G
Zichao Zhou, Mirah J. Burgener, John Burgener and Diane Beauchemin
{"title":"Towards the best total consumption infrared-heated sample introduction system for nanoparticle measurement using single particle inductively coupled plasma mass spectrometry†","authors":"Zichao Zhou, Mirah J. Burgener, John Burgener and Diane Beauchemin","doi":"10.1039/D4JA00075G","DOIUrl":"10.1039/D4JA00075G","url":null,"abstract":"<p >Nanoparticles (NPs) are ubiquitous because they find applications in nanomedicine, materials science, and consumer products to name a few, and eventually end up in the environment. The various techniques available to analyze NPs each have strengths and limitations. This study focuses on improving the single particle inductively coupled plasma mass spectrometry (spICPMS) technique to address the limitations of existing methods and improve the size detection limit for Pt and Au NPs. Infrared heating of the spray chamber and connection to the torch is used to pre-evaporate the aerosol and improve the transport efficiency. Eight modified cyclonic spray chambers with a volume ranging from 25 to 125 mL, where an IR emitter is inserted in a modified baffle and the gap between the top of the baffle and the top service of the spray chamber was varied, are tested for the characterization of NPs to see their effect on sensitivity, detection limit, and transport efficiency. The results indicate that the 50 mL modified spray chamber with a 2 mm gap between the top of the baffle and the top service of the spray chamber offers the best detection limit for Pt. It enhances sensitivity and precision and allows accurate characterization of Au and Pt NPs without any measurement of the transport efficiency. Furthermore, this sample introduction system provided similar improvements in sensitivity and detection limit when used with the same nebulizer on two different spICPMS instruments.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 8","pages":" 2078-2086"},"PeriodicalIF":3.1,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ja/d4ja00075g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141552429","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
Reference value of the JNdi-1 isotopic material without normalization† 未经归一化处理的 JNdi-1 同位素材料参考值
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-03 DOI: 10.1039/D4JA00140K
Alexandre Quemet, Guillaume Lasnier, Sébastien Mialle, Hélène Isnard, Maud Boyet, Marion Garçon and Delphine Auclair
{"title":"Reference value of the JNdi-1 isotopic material without normalization†","authors":"Alexandre Quemet, Guillaume Lasnier, Sébastien Mialle, Hélène Isnard, Maud Boyet, Marion Garçon and Delphine Auclair","doi":"10.1039/D4JA00140K","DOIUrl":"10.1039/D4JA00140K","url":null,"abstract":"<p >The most used international reference material for neodymium isotope ratios is the JNdi-1 standard. The literature reference values were determined using Thermal Ionization Mass Spectrometry (TIMS) with a conventional internal normalization. In nuclear studies, such normalization is not possible for samples after irradiation, as there is no known isotope ratio that can be considered as a reference ratio. Nd isotopic analysis is essential for calculating the burnup of a reactor. To offer reference values without normalization, 61 measurements of the JNdi-1 material were obtained in three different laboratories on four thermal ionization mass spectrometers using the total evaporation method. Acquired measurements were compared to the exponential mass fractionation law demonstrating that the dominant bias comes from isotope fractionation which can be minimized using the total evaporation method. The suggested reference values and associated uncertainties with a coverage factor of 2, which indicates approximate 95% confidence, were calculated using the DerSimonian–Laird procedure (<em>n</em> = 3): <small><sup>142</sup></small>Nd/<small><sup>144</sup></small>Nd = 1.13966(23), <small><sup>143</sup></small>Nd/<small><sup>144</sup></small>Nd = 0.511613(50), <small><sup>145</sup></small>Nd/<small><sup>144</sup></small>Nd = 0.348729(33), <small><sup>146</sup></small>Nd/<small><sup>144</sup></small>Nd = 0.72329(15), <small><sup>148</sup></small>Nd/<small><sup>144</sup></small>Nd = 0.242505(95) and <small><sup>150</sup></small>Nd/<small><sup>144</sup></small>Nd = 0.23780(14). All these ratios are significantly different from those obtained after normalization using <small><sup>146</sup></small>Nd/<small><sup>144</sup></small>Nd = 0.7219. The new values obtained for the JNdi-1 can be used in nuclear laboratories where the Nd isotope ratios differ from the natural isotopic compositions or when the total evaporation method is used without internal normalization.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2165-2172"},"PeriodicalIF":3.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ja/d4ja00140k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141552430","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
Routine measurement of high-precision potassium stable isotope compositions using a continuous-flow Neoma MC-ICPMS/MS† 使用连续流 Neoma MC-ICP-MS/MS 对高精度钾稳定同位素成分进行常规测量
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-03 DOI: 10.1039/D4JA00211C
Emmanuelle Albalat, Philippe Télouk and Vincent Balter
{"title":"Routine measurement of high-precision potassium stable isotope compositions using a continuous-flow Neoma MC-ICPMS/MS†","authors":"Emmanuelle Albalat, Philippe Télouk and Vincent Balter","doi":"10.1039/D4JA00211C","DOIUrl":"10.1039/D4JA00211C","url":null,"abstract":"&lt;p &gt;Natural processes, from cosmochemistry to human homeostasis, can be traced by means of the mass-dependent fractionation of K isotopes because the &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K/&lt;small&gt;&lt;sup&gt;41&lt;/sup&gt;&lt;/small&gt;K ratio is characterized by a wide range of variations (&lt;em&gt;ca.&lt;/em&gt; 3‰). The measurement of the &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K/&lt;small&gt;&lt;sup&gt;41&lt;/sup&gt;&lt;/small&gt;K ratio is traditionally achieved by multi-collector inductively coupled plasma mass spectrometers (MC-ICPMS), but is significantly impeded by large isobaric argide interferences on K isotopes. A new generation of MC-ICPMS equipped with a collision/reaction cell allows the quantitative elimination of argide interferences using H&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; as a reaction gas. We report on a set of high-precision K isotopic data obtained with the recently released ThermoScientific Neoma MC-ICPMS/MS equipped with a prefiltering system consisting of a double-Wien filter and a collision/reaction cell. In the low-resolution mode, the mass resolving power is &lt;em&gt;ca.&lt;/em&gt; 2200, resulting in a K sensitivity of &lt;em&gt;ca.&lt;/em&gt; 1000 V ppm&lt;small&gt;&lt;sup&gt;−1&lt;/sup&gt;&lt;/small&gt; for &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K in dry mode with an Apex Omega desolvator. This large mass revolving power allows the observation of yet undetected interferences on the high-mass shoulders of &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K and &lt;small&gt;&lt;sup&gt;41&lt;/sup&gt;&lt;/small&gt;K. The interference is &lt;em&gt;ca.&lt;/em&gt; 25 mV on &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K and 1 mV on &lt;small&gt;&lt;sup&gt;41&lt;/sup&gt;&lt;/small&gt;K in the low-resolution mode, similar in K and blank HNO&lt;small&gt;&lt;sub&gt;3&lt;/sub&gt;&lt;/small&gt; (0.05 M) solutions, increases when N&lt;small&gt;&lt;sub&gt;2&lt;/sub&gt;&lt;/small&gt; is added in the desolvator and decreases when He is added as a collision gas. The presence of these interferences, which contribute modestly &lt; 0.02% of the K signal, is probably the result of the formation of complex organic compounds in the collision/reaction cell. However, blank subtraction is a critical step to achieve steady and accurate analysis of the &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K/&lt;small&gt;&lt;sup&gt;41&lt;/sup&gt;&lt;/small&gt;K ratio. The overall stability of the analysis of the &lt;small&gt;&lt;sup&gt;39&lt;/sup&gt;&lt;/small&gt;K/&lt;small&gt;&lt;sup&gt;41&lt;/sup&gt;&lt;/small&gt;K ratio is greatly improved by using a continuous-flow microFAST Isotope autosampler. A survey on the potential effects of sample-standard mismatches reveals significant offsets for matrix elements (Ca, Mg and Na), no offset for acid molarity. Regarding the effect of sample-standard concentration mismatch, we show that the amplitude of the offset is session-dependent, such that no general correction could be applied. We use the autosampler adjustable injection flow rate to correct for a concentration mismatch up to ± 30% to recover expected K isotope composition within the ± 0.05‰ uncertainty. In these conditions, short-term external precision and long-term reproducibility are 0.07‰ (2SD, &lt;em&gt;n&lt;/em&gt; = 500) and 0.08‰ (2SD, &lt;em&gt;n&lt;/em&gt; = 66), respectively. For validation of the overall method, we finally purified K","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2183-2191"},"PeriodicalIF":3.1,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141547368","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
A synthesized sphalerite standard for in situ analysis of sulfur isotopes and trace elements by LA-MC-ICP-MS and LA-ICP-MS† 利用 LA-MC-ICP-MS 和 LA-ICP-MS 原位分析硫同位素和痕量元素的闪锌矿标准合成物
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-02 DOI: 10.1039/D4JA00151F
Zhi-hui Dai, Peng Liao, Deng-jun Wang, Sen Lin, He-ping Li, Zhi-an Bao, Ke-jun Hou, Lie-meng Chen, Ting-guang Lan and Can Cui
{"title":"A synthesized sphalerite standard for in situ analysis of sulfur isotopes and trace elements by LA-MC-ICP-MS and LA-ICP-MS†","authors":"Zhi-hui Dai, Peng Liao, Deng-jun Wang, Sen Lin, He-ping Li, Zhi-an Bao, Ke-jun Hou, Lie-meng Chen, Ting-guang Lan and Can Cui","doi":"10.1039/D4JA00151F","DOIUrl":"10.1039/D4JA00151F","url":null,"abstract":"<p > <em>In situ</em> microanalysis of the sulfur (S) isotope composition and elemental distribution in sphalerite is important in geochemistry. A matrix-matched reference material is still lacking <em>in situ</em> microanalysis. In this study, a hydrothermal synthesis method combined with hot-press sintering processes was used to synthesize a sphalerite material Sph-LD. A large number of <em>in situ</em> microanalyses, including trace element concentrations and S isotope compositions, were performed on Sph-LD by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) and laser ablation multi-collector inductively coupled plasma mass spectrometry (LA-MC-ICP-MS) to assess the homogeneity. The LA-MC-ICP-MS results are highly consistent and yield a mean <em>δ</em><small><sup>34</sup></small>S value of +17.11 ± 0.20‰ (2 SD, <em>n</em> = 560), which is analogous with that measured by IRMS. Microanalysis of element concentrations generally agrees with the data of ICP-MS within 10% for trace elements (relative standard deviation &lt; 10%). These results indicate that Sph-LD is suitable to be a matrix-matched reference material available for quantitative analysis of element concentrations and S isotope measurement of sphalerite using LA-ICP-MS and LA-MC-ICP-MS. Meanwhile, the synthetic method introduces a novel concept for the development of standard materials.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2309-2318"},"PeriodicalIF":3.1,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505564","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
Atomic spectrometry update: review of advances in X-ray fluorescence spectrometry and its special applications 原子光谱分析最新进展:X 射线荧光光谱分析及其特殊应用进展回顾
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-02 DOI: 10.1039/D4JA90034K
Christine Vanhoof, Jeffrey R. Bacon, Ursula E. A. Fittschen and Laszlo Vincze
{"title":"Atomic spectrometry update: review of advances in X-ray fluorescence spectrometry and its special applications","authors":"Christine Vanhoof, Jeffrey R. Bacon, Ursula E. A. Fittschen and Laszlo Vincze","doi":"10.1039/D4JA90034K","DOIUrl":"10.1039/D4JA90034K","url":null,"abstract":"<p >Three-dimensional chemical imaging by XRF spectrometry techniques continues to advance in both experimental methods and quantitative data evaluation and reconstruction strategies. These techniques are gaining interest across various research fields, ranging from material science and environmental and Earth sciences to life science and biomedical imaging. Two primary techniques associated with 3D XRF spectrometry are reviewed in this update: XRF spectrometry CT and confocal XRF spectrometry. There has been an increase in the building of in-house specialised 2D XRF spectrometry instruments. Attention to various components, <em>e.g.</em> coating of optics, has improved performance. There was an increase during the review period in the use of SR-XRF spectrometry in conjunction with complementary X-ray spectroscopic and imaging techniques for integrating spatially resolved elemental data with information on speciation and structural and morphological images. Applications of μXRF spectrometry continued to expand in fields such as biomedical, environmental and materials sciences and cultural heritage research. These applications were primarily carried out at specialised hard-X-ray micro- and nano-probe facilities by combining SR-XRF spectrometry with micro- and nano-XAS, XRD analysis, ptychography and various forms of tomographic techniques. The TXRF spectrometry technique continues to be successfully implemented in medical research because of its outstanding performance as a microanalytical method. Changes in the elemental profiles of small organs from, <em>e.g.</em> rats, can be detected. The introduction of a versatile pipetting instrument made possible significant advances in the strategic identification of errors in sample morphology. MacroXRF spectrometry continues to play a significant role in cultural heritage applications. Instrumentation is constantly expanding with new functionalities such as simultaneous measurement with reflectance image spectroscopy and luminescence imaging spectroscopy. The investigation of papyrus fragments was enhanced by upgrading a novel mobile macroXRF spectrometer scanner with new high-performing mechatronics and a high-throughput detection system.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2152-2164"},"PeriodicalIF":3.1,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141513018","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
Precise and rapid diagnosis of lung cancer: leveraging laser-induced breakdown spectroscopy with optimized kernel methods in machine learning 肺癌的精确快速诊断:利用激光诱导击穿光谱与机器学习中的优化核方法
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-01 DOI: 10.1039/D4JA00135D
Jingjun Lin, Yao Li, Xiaomei Lin and Changjin Che
{"title":"Precise and rapid diagnosis of lung cancer: leveraging laser-induced breakdown spectroscopy with optimized kernel methods in machine learning","authors":"Jingjun Lin, Yao Li, Xiaomei Lin and Changjin Che","doi":"10.1039/D4JA00135D","DOIUrl":"10.1039/D4JA00135D","url":null,"abstract":"<p >Improving the efficiency of laser-induced breakdown spectroscopy (LIBS) is crucial for its clinical applicability in tumor diagnosis. This study presents an accelerated diagnostic approach based on a kernel principal component analysis-support vector machine (KPCA-SVM) model. Initially, elemental features—calcium (Ca), sodium (Na), magnesium (Mg), and copper (Cu)—were selected due to noticeable differences in spectral intensity between tumor and normal tissues. Subsequently, employing KPCA facilitated the projection of LIBS features into a high-dimensional space, capturing nonlinear data relationships. Dimensionality reduction within this space was then performed to retain essential nonlinear features while eliminating redundancy. The resulting reduced matrix was input into the SVM classifier. Both the Gaussian kernel of KPCA and the Radial Basis Function (RBF) kernel of the SVM exhibited exceptional diagnostic efficacy. Optimal results were attained using 15 principal components, achieving a classification accuracy, sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) of 99.03%, 99.72%, 98.89%, 98.90%, and 99.72%, respectively. Importantly, the model's runtime was only 6.77 seconds, highlighting the potential of KPCA and SVM kernel methodologies for rapid lung cancer diagnosis.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 8","pages":" 2049-2057"},"PeriodicalIF":3.1,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141513022","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
Research on an XRF-visNIR soil heavy metal exceedance analysis method based on GAS transformation and PCANet† 基于 GAS 转化和 PCANet 的 XRF-visNIR 土壤重金属超标分析方法研究
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-06-26 DOI: 10.1039/D4JA00161C
Qingya Wang, Liangliang Tao, Fusheng Li, Zhichun Wu, Yaoyi Cai and Shubin Lyu
{"title":"Research on an XRF-visNIR soil heavy metal exceedance analysis method based on GAS transformation and PCANet†","authors":"Qingya Wang, Liangliang Tao, Fusheng Li, Zhichun Wu, Yaoyi Cai and Shubin Lyu","doi":"10.1039/D4JA00161C","DOIUrl":"10.1039/D4JA00161C","url":null,"abstract":"<p >Analyzing and rapidly screening the phenomenon of soil heavy metal exceedance remains a challenge for the fusion technology of X-ray fluorescence (XRF) and visible near infrared spectroscopy (visNIR). To address this, a new XRF-visNIR fusion method based on Gramian Angular Summation (GAS) transformation and Principal Component Analysis Network (PCANet) feature extraction is proposed. This method transforms XRF and visNIR data into two-dimensional images through GAS conversion, followed by feature extraction using PCANet. This reduces data dimensions and extracts important information about soil heavy metals. In the experimental phase, a large number of soil samples were collected from the Hongfeng Lake area and tested for spectral information using XRF-visNIR. By constructing and training a deep learning network, soil heavy metal pollution was classified and assessed. The results show that this method has achieved significant results in the analysis of soil heavy metal exceedance. The optimized GASF_PCANet_CNN can rapidly and accurately identify seven kinds of heavy metal pollution exceedance (Pb, Cd, As, Cr, Cu, Zn, and Ni). Deployed on an embedded platform, it can achieve quick feedback of screening results, with an average accuracy, average recall rate, average precision, and average <em>F</em><small><sub>1</sub></small> score of 95.07%, 95.90%, 95.17%, and 95.53%, respectively. The XRF-visNIR soil heavy metal analysis method based on GAS transformation and PCANet proposed in this study provides an efficient and reliable analytical means for monitoring soil heavy metal exceedance, actively promoting soil pollution management and environmental protection work.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 9","pages":" 2192-2206"},"PeriodicalIF":3.1,"publicationDate":"2024-06-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505579","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
OXF: a new natural reference material for use in LA-ICP-MS U–Pb columbite–tantalite geochronology† OXF:用于 LA-ICP-MS U-Pb 铌铁矿-钽铁矿地质年代学的新天然参考材料
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-06-25 DOI: 10.1039/D4JA00195H
Liyuan Qing, Tao Luo, Zhaochu Hu, Yang Li, Jiarun Tu, Liangliang Zhang, Wen Zhang and Keqing Zong
{"title":"OXF: a new natural reference material for use in LA-ICP-MS U–Pb columbite–tantalite geochronology†","authors":"Liyuan Qing, Tao Luo, Zhaochu Hu, Yang Li, Jiarun Tu, Liangliang Zhang, Wen Zhang and Keqing Zong","doi":"10.1039/D4JA00195H","DOIUrl":"10.1039/D4JA00195H","url":null,"abstract":"<p >Columbite–tantalite is predominantly found in rare-metal granites and pegmatites, alkaline and carbonatitic rocks, and columbite–tantalite-bearing peraluminous granites. It is recognized as a potentially valuable mineral for use in U–Pb isotopic dating. Laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) can be used in the U–Pb dating of columbite–tantalite. LA-ICP-MS requires matrix-matched reference materials for isotopic fractionation/mass bias correction. Some columbite–tantalite reference materials contain common Pb. However, columbite–tantalite reference materials with low contents of common Pb are scarce. Thus, in this study, we proposed a new potential reference material, OXF, with a low common Pb content for use in LA-ICP-MS U–Pb dating of columbite–tantalite. LA-ICP-MS analysis revealed that the average U, Th, and Pb concentrations in OXF are 428 ± 156 ppm (2s), 6.3 ± 2.5 ppm (2s), and 20.0 ± 10.0 ppm (2s), respectively, with a total weight of 336.6 g. Chemical abrasion isotope dilution thermal ionization mass spectrometry (CA-ID-TIMS) revealed that the weighted mean <small><sup>206</sup></small>Pb/<small><sup>238</sup></small>U age of OXF is 262.85 ± 0.64 Ma (MSWD = 1.8, 2s). The LA-ICP-MS U–Pb ages of the four laboratories in the China University of Geosciences (Wuhan) (CUGW), the China University of Geosciences (Beijing) (CUGB), Wuhan Sample Solution Analytical Technology Co. Ltd, China (WHSS), and the Institute of Geology and Geophysics, Chinese Academy of Sciences (IGGCAS) were determined. The <small><sup>206</sup></small>Pb/<small><sup>238</sup></small>U ages of the CUGW, the CUGB, WHSS, and the IGGCAS were 262.71 ± 0.33 Ma (2s, <em>n</em> = 151), 263.3 ± 2.3 Ma (2s, <em>n</em> = 46), 263.5 ± 1.3 Ma (2s, <em>n</em> = 42) and 264.3 ± 2.4 Ma (2s, <em>n</em> = 25), respectively. The weighted mean <small><sup>206</sup></small>Pb/<small><sup>238</sup></small>U age of the four laboratories obtained using LA-ICP-MS and by combining the U–Pb data obtained from the laboratories was 262.83 ± 0.29 Ma (2s, <em>n</em> = 358), which aligns with its value obtained using CA-ID-TIMS after allowing for analytical uncertainties. OXF demonstrated homogeneous U–Pb ages with minimal Pb contributions, indicating its potential for serving as a primary reference material in LA-ICP-MS calibrations.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 8","pages":" 2066-2077"},"PeriodicalIF":3.1,"publicationDate":"2024-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505545","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
Uranium isotopic analysis in unpurified solutions by ICP-MS† 利用 ICP-MS 对未净化溶液中的铀进行同位素分析
IF 3.1 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-06-24 DOI: 10.1039/D4JA00130C
Sean R. Scott, Kirby P. Hobbs, Amanda D. French, Isaac J. Arnquist, Sonia Alcantar Anguiano, Daniel L. Sullivan and Staci M. Herman
{"title":"Uranium isotopic analysis in unpurified solutions by ICP-MS†","authors":"Sean R. Scott, Kirby P. Hobbs, Amanda D. French, Isaac J. Arnquist, Sonia Alcantar Anguiano, Daniel L. Sullivan and Staci M. Herman","doi":"10.1039/D4JA00130C","DOIUrl":"10.1039/D4JA00130C","url":null,"abstract":"<p >Mass spectrometry is a widely used tool for analysis of uranium isotopic composition. For solution based inductively coupled plasma mass spectrometry, uranium isotopes are typically analyzed after purification from complex matrices. In this work, we tested the ability of three mass spectrometers (ThermoScientific iCAP TQ, ThermoScientific Neoma, and Agilent 8900) to analyze uranium isotopes in an unpurified NIST reference material (SRM2780a, Hard Rock Mine Waste) digest solution. Results indicate that <small><sup>235</sup></small>U/<small><sup>238</sup></small>U can be analyzed within 1% of the true value. <small><sup>234</sup></small>U/<small><sup>238</sup></small>U is a more challenging analysis due to low count rates and potential isobar interferences, but strategies to mitigate these effects, such as the use of reaction gases in a collision cell and desolvating nebulizer introduction system, are effective for the triple quadrupole instruments. However, the use of the Neoma MS/MS in reaction mode using O<small><sub>2</sub></small> gas was problematic. Nevertheless, analysis of unpurified solutions for quick assessment of uranium isotope compositions is practical, especially when high precision is not required.</p>","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":" 8","pages":" 2106-2115"},"PeriodicalIF":3.1,"publicationDate":"2024-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/ja/d4ja00130c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141505565","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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