Journal of Analytical Atomic Spectrometry最新文献

筛选
英文 中文
Ultra-sensitive determination of mercury in flue gas by atmospheric pressure glow discharge atomic emission spectrometry coupled with gold amalgam enrichment 利用常压辉光放电原子发射光谱法和金汞合金富集法超灵敏测定烟气中的汞含量
IF 3.4 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-10 DOI: 10.1039/d4ja00165f
Meng Gao, Rong Rong, Zhaoqing Cai, Zheng Wang
{"title":"Ultra-sensitive determination of mercury in flue gas by atmospheric pressure glow discharge atomic emission spectrometry coupled with gold amalgam enrichment","authors":"Meng Gao, Rong Rong, Zhaoqing Cai, Zheng Wang","doi":"10.1039/d4ja00165f","DOIUrl":"https://doi.org/10.1039/d4ja00165f","url":null,"abstract":"In this work, a highly sensitive procedure for the determination of mercury in flue gas was developed, based on direct-current atmospheric pressure glow discharge in hydrogen and helium (H2-He) atomic emission spectroscopy (APGD-AES) coupled with gold amalgam enrichment (GA). Calibration mercury vapor generated by the cold vapor generation (CVG) system was sent to GA system for enrichment. Subsequently, mercury was thermally resolved and transmitted to APGD for excitation, at the same time the signal at 253.6 nm was recorded by a micro-spectrometer. The parameters of GA and APGD systems were optimized, including the type and flow rate of carrier gas, discharge current and discharge gap. Under the optimum operating conditions, when the sampling volume of flue gas was 10 L the detection limit (DL) of Hg was 0.1 μg m−3, which met the actual measurement needs and the relative standard deviation (RSD) was 2% (n=11), the linear correlation coefficient was better than 0.999. The accuracy and practicality of GA-APGD-AES were verified by the analysis of flue gas. The results were consistent with those of a direct mercury analysis (DMA) system (n=3, relative deviation was less than 3 %).","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"publicationDate":"2024-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141568937","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
Multi-Channel Dilution Analysis 多通道稀释分析
IF 3.4 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-09 DOI: 10.1039/d4ja00112e
Willis B. Jones, Robbie M. Huff, Adam L. Richardson, Taylor Dessoffy, Sophie M. Lewis, Alexandria Eddy, Abigail J. Crossman, Bradley T. Jones
{"title":"Multi-Channel Dilution Analysis","authors":"Willis B. Jones, Robbie M. Huff, Adam L. Richardson, Taylor Dessoffy, Sophie M. Lewis, Alexandria Eddy, Abigail J. Crossman, Bradley T. Jones","doi":"10.1039/d4ja00112e","DOIUrl":"https://doi.org/10.1039/d4ja00112e","url":null,"abstract":"Multi-channel dilution analysis (MCDA) is a new calibration method that performs multiple dilutions of a standard solution as it makes its way from an autosampler to an analytical instrument. MCDA is based on the standard dilution analysis (SDA) method that combines the traditional standard additions and internal standardization calibration methods, correcting for both matrix interferences and fluctuations in signal levels associated with variations in the sample environment. Analysts operate the instrument in the normal manner, as all dilutions are performed automatically by splitting the sample stream entering the instrument into multiple channels of different tubing diameters and lengths. This setup results in a signal “stairstep” as portions of solution are measured at different points in time. A calibration curve is prepared from the plateau regions of the signal stairstep. MCDA has been exhibited using inductively coupled plasma optical emission spectrometry, which is a workhorse for the determination of trace metals in solution. However, MCDA is applicable for any analyte of interest in any sample type, as long as the selected measurement technique accepts samples as a flowing liquid stream. MCDA is applied to the analysis of three certified reference materials by inductively coupled plasma optical emission spectrometry (ICP-OES). Percent recoveries for a suite of analytes range from 87-106%, with relative standard deviations on the order of 1%. MCDA simplifies the analysis process, increasing sample throughput by significantly decreasing the time required for solution preparation.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141569005","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
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 3.4 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, 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, S. Majumdar","doi":"10.1039/d4ja00156g","DOIUrl":"https://doi.org/10.1039/d4ja00156g","url":null,"abstract":"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.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"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 3.4 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, 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, Diane Beauchemin","doi":"10.1039/d4ja00075g","DOIUrl":"https://doi.org/10.1039/d4ja00075g","url":null,"abstract":"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.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","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":"","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 3.4 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, 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, Delphine Auclair","doi":"10.1039/d4ja00140k","DOIUrl":"https://doi.org/10.1039/d4ja00140k","url":null,"abstract":"The most used international reference material for neodymium isotope ratio is the JNdi-1 standard. The literature reference values were evaluated by Thermal Ionization Mass Spectrometry (TIMS) and using a conventional internal normalization. In nuclear field, such normalization is not possible for samples after irradiation, as there is no known and stable isotope ratio that can be considered as a reference ratio. 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 its associated uncertainties with a coverage factor of 2 were calculated using the DerSimonian-Laird procedure (n=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 acquired values can be used in nuclear laboratories where Nd isotope ratios differ from natural isotopic compositions. The Nd isotopic analysis is essential for calculating the burnup of a reactor.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","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":"","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-ICP-MS/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 3.4 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-03 DOI: 10.1039/d4ja00211c
Emmanuelle Albalat, Philippe Telouk, Vincent Balter
{"title":"Routine measurement of high-precision potassium stable isotope compositions using a continuous-flow Neoma MC-ICP-MS/MS","authors":"Emmanuelle Albalat, Philippe Telouk, Vincent Balter","doi":"10.1039/d4ja00211c","DOIUrl":"https://doi.org/10.1039/d4ja00211c","url":null,"abstract":"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 ca. 2,200, resulting in a K sensitivity of ca. 1,000 V/ppm for 39K 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 39K and 41K. The interference is ca. 25 mV on 39K and 1 mV on 41K in the low-resolution mode, similar in K and blank HNO3 (0.05 M) solutions, increases when N2 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 and suggests that blank subtraction is a critical step to achieve steady and accurate analysis of the 39K/41K ratio. The overall stability of the analysis of the 39K/41K 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, n = 500) and 0.08 ‰ (2SD, n = 66), respectively. For validation of the overall method, we finally purified K using a single step chemical separation by ion exchange chromatography, and measured the K isotope composition of geological and biological reference materials, for which we found values similar to the literature.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"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 3.4 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-02 DOI: 10.1039/d4ja00151f
Zhi-Hui Dai, peng liao, Dengjun Wang, Sen Lin, Heping Li, Zhian Bao, Ke-jun Hou, Liemeng Chen, Ting-guang Lan, 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, Dengjun Wang, Sen Lin, Heping Li, Zhian Bao, Ke-jun Hou, Liemeng Chen, Ting-guang Lan, Can Cui","doi":"10.1039/d4ja00151f","DOIUrl":"https://doi.org/10.1039/d4ja00151f","url":null,"abstract":"In situ microanalysis of the sulfur (S) isotope composition and elemental distribution in sphalerite are important in geochemistry. Matrix-matched reference material is still deficient for in situ microanalysis. In this study, a hydrothermal synthesis method combined with hot-press sintering processes was used to synthesize a ZnS material Sph-LD. A large number of in situ microanalysis, 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 δ34S value of + 17.11 ± 0.20‰ (2s, n=560), which is analogous with that measured by IRMS. Microanalysis of element concentrations generally agree 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.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"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 3.4 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, 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, Laszlo Vincze","doi":"10.1039/d4ja90034k","DOIUrl":"https://doi.org/10.1039/d4ja90034k","url":null,"abstract":"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.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"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 3.4 2区 化学
Journal of Analytical Atomic Spectrometry Pub Date : 2024-07-01 DOI: 10.1039/d4ja00135d
Jingjun Lin, Yao Li, Xiaomei Lin, 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, Changjin Che","doi":"10.1039/d4ja00135d","DOIUrl":"https://doi.org/10.1039/d4ja00135d","url":null,"abstract":"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.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"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 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 3.4 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, Shubin Lyu
{"title":"Research on 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, Shubin Lyu","doi":"10.1039/d4ja00161c","DOIUrl":"https://doi.org/10.1039/d4ja00161c","url":null,"abstract":"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 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, Ni). Deployed on an embedded platform, it can achieve quick feedback of screening results, with average accuracy, average recall rate, average precision, and average F1 score being 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.","PeriodicalId":81,"journal":{"name":"Journal of Analytical Atomic Spectrometry","volume":null,"pages":null},"PeriodicalIF":3.4,"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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信