Spectrochimica Acta Part B: Atomic Spectroscopy最新文献

英文中文

A tribute to John Olesik 这是对John Olesik的致敬

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107424

Paul B. Farnsworth

引用次数: 0

Utilization of the LS-APGD microplasma/orbitrap-FTMS booster system for detection and isotopic analysis of neodymium nanoparticles LS-APGD微等离子体/轨道阱- ftms助推器系统在钕纳米粒子检测和同位素分析中的应用

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107398

Suraj Shrestha , Joseph V. Goodwin , Hunter B. Andrews , Benjamin T. Manard , R. Kenneth Marcus

Detection and isotopic analysis of particle populations has seen rapid growth across several application areas, including environmental analysis, nuclear forensics, and food safety. The ability to characterize the particles' unique elemental and isotopic fingerprints could provide information related to formation, processing history, and transport. Regarding nuclear forensics, isotopic analysis of particles derived from diverse materials is often used as a tool to trace the origin and processing history. Mass spectrometric-based techniques currently used for particle population analysis often suffer from limited mass resolution, particularly when dealing with real-world samples that are affected by isobaric and polyatomic interferences from the matrix. To address these analytical challenges, we propose a novel method utilizing the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an ultrahigh resolution Orbitrap mass spectrometer, further enhanced with the FTMS X2T Booster data acquisition and processing unit. The FTMS Booster enables acquisition of extended transient times of up to 3 s, significantly improving mass resolution, thereby reducing or even eliminating the need for prior separation of isobaric or polyatomic interferences. Additionally, the detection of low-abundance isotopes was improved by increasing the signal-to-noise (S/N) ratio. As proof of concept, this study demonstrates the feasibility of the LS-APGD/Orbitrap-FTMS X2T Booster platform for direct analysis using a suspension of well-characterized ∼120 nm neodymium particles. The quality of the isotope ratios values obtained from a few hundred particles were in good agreement with those obtained from homogeneous ionic solutions. These results highlight the potential of the LS-APGD/Orbitrap platform for rapid, accurate, and interference-resilient isotope ratio analysis of particle populations without the need for dissolution and subsequent chemical separations, offering significant advantages for nuclear forensics, safeguards, and environmental applications. The effort here also points to further paths forward, hopefully towards single particle (SP) analysis using microplasma ionization and the ultrahigh resolving power of the Orbitrap mass analyzer.

粒子群的检测和同位素分析在环境分析、核取证和食品安全等多个应用领域得到了快速发展。表征颗粒独特的元素和同位素指纹的能力可以提供与形成、加工历史和运输有关的信息。在核取证方面，对来自不同材料的颗粒进行同位素分析经常被用作追踪起源和加工历史的工具。目前用于粒子居数分析的基于质谱的技术经常受到有限的质量分辨率的影响，特别是在处理受等压和多原子干扰的真实样品时。为了解决这些分析挑战，我们提出了一种新的方法，利用液体采样-大气压辉光放电（LS-APGD）微等离子体电离源耦合到超高分辨率Orbitrap质谱仪，并进一步增强FTMS X2T Booster数据采集和处理单元。FTMS助推器可以获得长达3秒的瞬态时间，显著提高质量分辨率，从而减少甚至消除了事先分离等压或多原子干扰的需要。此外，通过提高信噪比（S/N），提高了对低丰度同位素的检测。作为概念验证，本研究证明了LS-APGD/Orbitrap-FTMS X2T Booster平台使用表征良好的~ 120 nm钕颗粒悬浮液进行直接分析的可行性。从几百个粒子中得到的同位素比值值与从均匀离子溶液中得到的同位素比值值的质量很好地一致。这些结果突出了LS-APGD/Orbitrap平台在不需要溶解和随后的化学分离的情况下对颗粒种群进行快速，准确和抗干扰的同位素比分析的潜力，为核取证，保障和环境应用提供了显着优势。这里的努力也指出了进一步的发展方向，希望能够利用微等离子体电离和Orbitrap质量分析仪的超高分辨率进行单粒子（SP）分析。

{"title":"Utilization of the LS-APGD microplasma/orbitrap-FTMS booster system for detection and isotopic analysis of neodymium nanoparticles","authors":"Suraj Shrestha , Joseph V. Goodwin , Hunter B. Andrews , Benjamin T. Manard , R. Kenneth Marcus","doi":"10.1016/j.sab.2025.107398","DOIUrl":"10.1016/j.sab.2025.107398","url":null,"abstract":"<div><div>Detection and isotopic analysis of particle populations has seen rapid growth across several application areas, including environmental analysis, nuclear forensics, and food safety. The ability to characterize the particles' unique elemental and isotopic fingerprints could provide information related to formation, processing history, and transport. Regarding nuclear forensics, isotopic analysis of particles derived from diverse materials is often used as a tool to trace the origin and processing history. Mass spectrometric-based techniques currently used for particle population analysis often suffer from limited mass resolution, particularly when dealing with real-world samples that are affected by isobaric and polyatomic interferences from the matrix. To address these analytical challenges, we propose a novel method utilizing the liquid sampling-atmospheric pressure glow discharge (LS-APGD) microplasma ionization source coupled to an ultrahigh resolution Orbitrap mass spectrometer, further enhanced with the FTMS X2T Booster data acquisition and processing unit. The FTMS Booster enables acquisition of extended transient times of up to 3 s, significantly improving mass resolution, thereby reducing or even eliminating the need for prior separation of isobaric or polyatomic interferences. Additionally, the detection of low-abundance isotopes was improved by increasing the signal-to-noise (S/N) ratio. As proof of concept, this study demonstrates the feasibility of the LS-APGD/Orbitrap-FTMS X2T Booster platform for direct analysis using a suspension of well-characterized ∼120 nm neodymium particles. The quality of the isotope ratios values obtained from a few hundred particles were in good agreement with those obtained from homogeneous ionic solutions. These results highlight the potential of the LS-APGD/Orbitrap platform for rapid, accurate, and interference-resilient isotope ratio analysis of particle populations without the need for dissolution and subsequent chemical separations, offering significant advantages for nuclear forensics, safeguards, and environmental applications. The effort here also points to further paths forward, hopefully towards single particle (SP) analysis using microplasma ionization and the ultrahigh resolving power of the Orbitrap mass analyzer.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"236 ","pages":"Article 107398"},"PeriodicalIF":3.8,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814271","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

Tribute to John W. Olesik 向John W. Olesik致敬

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107422

Gary M. Hieftje

引用次数: 0

Improved Thomson scattering plasma diagnostics via rotational Raman scattering field corrections 通过旋转拉曼散射场校正改进汤姆逊散射等离子体诊断

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107313

Kevin Finch, Ezekiel Branch, Jennifer Agu, Aryanna Monroe, Harsshit Agrawaal, Gerardo Gamez

Laser scattering spectroscopy plasma diagnostics are the methods of choice, when available, to guide improvements in plasma analytical atomic spectrometry performance through rational design. Nevertheless, Thomson scattering diagnostics of low-density plasmas have strict experimental conditions frequently met with in-house built imaging spectrographs that require flat-field correction to account for instrument imperfections; however, traditional flat-fielding techniques are limited in several aspects, particularly with respect to Thomson scattering experimental conditions. Here, we describe a new field-correction method based on diatomic molecule rotational Raman scattering measurements and simulations, thus taking advantage of the similar spectral characteristics and instrumentation requirements shared by both scattering techniques. A rotational Raman spectra simulation algorithm was developed and implemented for N₂, O₂, and their mixtures at different temperatures. The field correction is achieved by comparing simulated rotational Raman scattering spectra to those measured from N₂ at room temperature and atmospheric pressure. Finally, the field correction is applied to Thomson scattering spectral images measured from a glow discharge under typical analytical atomic optical emission spectrometry operating conditions. A significant improvement is gained in the accuracy and precision of the electron temperature and electron number density derived from the Thomson scattering spectra after rotational Raman scattering field correction, as shown by the enhanced goodness-of-fit and standard deviation in the respective function fitting protocols implemented to extract the electron fundamental parameters of interest.

激光散射光谱等离子体诊断是选择的方法，当可用时，指导改进等离子体分析原子光谱性能通过合理的设计。然而，低密度等离子体的汤姆逊散射诊断有严格的实验条件，经常需要内部建造的成像光谱仪，需要平场校正来解释仪器的缺陷；然而，传统的平场技术在几个方面受到限制，特别是在汤姆逊散射实验条件方面。在这里，我们描述了一种新的基于双原子分子旋转拉曼散射测量和模拟的场校正方法，从而利用了两种散射技术相似的光谱特性和仪器要求。提出并实现了不同温度下N2、O2及其混合物的旋转拉曼光谱模拟算法。通过将模拟的旋转拉曼散射光谱与室温和常压下N2测量的拉曼散射光谱进行比较，实现了场校正。最后，在典型的原子发射光谱分析操作条件下，对辉光放电的汤姆逊散射光谱图像进行了场校正。旋转拉曼散射场校正后，从汤姆逊散射光谱得到的电子温度和电子数密度的准确度和精密度得到了显著提高，这可以从用于提取感兴趣的电子基本参数的函数拟合方案的拟合优度和标准偏差得到增强。

{"title":"Improved Thomson scattering plasma diagnostics via rotational Raman scattering field corrections","authors":"Kevin Finch, Ezekiel Branch, Jennifer Agu, Aryanna Monroe, Harsshit Agrawaal, Gerardo Gamez","doi":"10.1016/j.sab.2025.107313","DOIUrl":"10.1016/j.sab.2025.107313","url":null,"abstract":"<div><div>Laser scattering spectroscopy plasma diagnostics are the methods of choice, when available, to guide improvements in plasma analytical atomic spectrometry performance through rational design. Nevertheless, Thomson scattering diagnostics of low-density plasmas have strict experimental conditions frequently met with in-house built imaging spectrographs that require flat-field correction to account for instrument imperfections; however, traditional flat-fielding techniques are limited in several aspects, particularly with respect to Thomson scattering experimental conditions. Here, we describe a new field-correction method based on diatomic molecule rotational Raman scattering measurements and simulations, thus taking advantage of the similar spectral characteristics and instrumentation requirements shared by both scattering techniques. A rotational Raman spectra simulation algorithm was developed and implemented for N<sub>2</sub>, O<sub>2</sub>, and their mixtures at different temperatures. The field correction is achieved by comparing simulated rotational Raman scattering spectra to those measured from N<sub>2</sub> at room temperature and atmospheric pressure. Finally, the field correction is applied to Thomson scattering spectral images measured from a glow discharge under typical analytical atomic optical emission spectrometry operating conditions. A significant improvement is gained in the accuracy and precision of the electron temperature and electron number density derived from the Thomson scattering spectra after rotational Raman scattering field correction, as shown by the enhanced goodness-of-fit and standard deviation in the respective function fitting protocols implemented to extract the electron fundamental parameters of interest.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"236 ","pages":"Article 107313"},"PeriodicalIF":3.8,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814267","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 machine learning-based strategy to determine inductively coupled plasma robustness from non-analyte signals 基于机器学习的从非分析物信号中确定电感耦合等离子体鲁棒性的策略

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107310

Jake A. Carter , Charles A. Barber , Todor I. Todorov , Patrick J. Gray

The inductively coupled plasma (ICP) is a key energy source for efficient atomization, excitation, and ionization in atomic spectrometry. Plasma robustness, often represented as the Mg II/I line intensity ratio, is a well-known and commonly used diagnostic probe of energy transfer in the ICP. Typical ICP parameters are set to maximize plasma robustness with relatively large injection tube diameters, decreased nebulizer (i.e., carrier gas) flow rates, and increased radiofrequency powers. ICP optical emission spectrometry is more resistant to matrix effects at higher values of Mg II/I.

We describe a strategy featuring machine learning to determine plasma robustness from non-analyte, plasma-based species of Ar, H, and O. We collected a representative dataset (n = 4450) of plasma robustness and non-analyte signals at varying instrumental conditions and plasma environments. Tuned tree-based ensemble and neural network models yielded accurate predictions of Mg II/I robustness with root mean squared errors as low as 0.36 across the training and testing data. The trained models may be used to predict plasma robustness, given model imperfections for predictions in relatively extreme matrices. Once trained, the models do not require any physical modification to commercial instrumentation nor the addition of diagnostic elements to the plasma. This machine learning strategy with plasma-based species can be adapted to train predictive models for additional plasma characteristics.

电感耦合等离子体（ICP）是原子光谱中实现高效原子化、激发和电离的关键能量源。血浆鲁棒性，通常表示为Mg II/I线强度比，是ICP中众所周知且常用的能量转移诊断探头。典型的ICP参数设置，以最大限度地提高等离子体鲁棒性，相对较大的注射管直径，减少雾化器（即载气）流速，并增加射频功率。在较高的Mg /I值下，ICP光学发射光谱法对基体效应的抵抗能力更强。我们描述了一种以机器学习为特征的策略，以确定非分析物、基于等离子体的Ar、H和o物质的等离子体鲁棒性。我们收集了不同仪器条件和等离子体环境下等离子体鲁棒性和非分析物信号的代表性数据集（n = 4450）。经过调整的基于树的集成和神经网络模型对训练和测试数据的Mg II/I稳健性进行了准确的预测，均方根误差低至0.36。经过训练的模型可用于预测等离子体的鲁棒性，因为在相对极端的矩阵中预测模型存在缺陷。一旦经过训练，这些模型不需要对商业仪器进行任何物理修改，也不需要向等离子体添加诊断元素。这种基于等离子体的机器学习策略可以用于训练预测模型，以获得更多的等离子体特征。

{"title":"A machine learning-based strategy to determine inductively coupled plasma robustness from non-analyte signals","authors":"Jake A. Carter , Charles A. Barber , Todor I. Todorov , Patrick J. Gray","doi":"10.1016/j.sab.2025.107310","DOIUrl":"10.1016/j.sab.2025.107310","url":null,"abstract":"<div><div>The inductively coupled plasma (ICP) is a key energy source for efficient atomization, excitation, and ionization in atomic spectrometry. Plasma robustness, often represented as the Mg II/I line intensity ratio, is a well-known and commonly used diagnostic probe of energy transfer in the ICP. Typical ICP parameters are set to maximize plasma robustness with relatively large injection tube diameters, decreased nebulizer (i.e., carrier gas) flow rates, and increased radiofrequency powers. ICP optical emission spectrometry is more resistant to matrix effects at higher values of Mg II/I.</div><div>We describe a strategy featuring machine learning to determine plasma robustness from non-analyte, plasma-based species of Ar, H, and O. We collected a representative dataset (<em>n</em> = 4450) of plasma robustness and non-analyte signals at varying instrumental conditions and plasma environments. Tuned tree-based ensemble and neural network models yielded accurate predictions of Mg II/I robustness with root mean squared errors as low as 0.36 across the training and testing data. The trained models may be used to predict plasma robustness, given model imperfections for predictions in relatively extreme matrices. Once trained, the models do not require any physical modification to commercial instrumentation nor the addition of diagnostic elements to the plasma. This machine learning strategy with plasma-based species can be adapted to train predictive models for additional plasma characteristics.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"236 ","pages":"Article 107310"},"PeriodicalIF":3.8,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814366","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

Absorptive influence on interpretation of spatially resolved emission from apparently cylindrically symmetrical plasmas: A modeling approach 吸收对明显圆柱对称等离子体空间分辨发射解释的影响：一种建模方法

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107392

Alexander Scheeline

Spatial dissection of cylindrically symmetrical emitting plasmas using the Abel inversion is revisited. Effects of absorption, line shape, and continuum using classical formulations and formulae explicitly accounting for optical density are illustrated. Even with compensation for absorption, wavelength resolution must be narrower than spectral linewidth to obtain accurate profiles. The demands of adequate signal-to-noise ratio make such measurements on single discharges impossible, while signal averaging requires that all averaged discharges be positioned within a few micrometers spatially and stable within a few parts per thousand in intensity throughout the line profile. Even with understanding of the role of optical thickness, some spatial patterns well-known in the literature remain challenging to model.

利用阿贝尔反演重新研究了圆柱对称发射等离子体的空间解剖。利用经典公式和公式明确说明光密度的吸收，线形和连续体的影响。即使对吸收进行了补偿，波长分辨率也必须小于谱线宽度，才能获得准确的轮廓。对足够的信噪比的要求使得单次放电的测量不可能实现，而信号平均要求所有平均放电在空间上定位在几微米内，并且在整个线路剖面上的强度稳定在千分之几。即使理解了光学厚度的作用，文献中已知的一些空间模式仍然具有挑战性。

引用次数: 0

A universal and cost-effective method for the mitigation of interferences in inductively coupled plasma mass spectrometry 一种在电感耦合等离子体质谱中降低干扰的通用且经济有效的方法

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107308

Michael G.A. Trolio, Diane Beauchemin

A universal and cost-effective method utilizing low sample uptake rate (50 μL min⁻¹) combined with a mixed-gas plasma containing 1.1 % nitrogen is demonstrated to reduce oxide, carbon, and argide interferences while mitigating signal suppression from complex matrices. Low sample uptake rate also reduced nitrogen-based interferences in an argon plasma. On average, oxide interferences (ScO/Sc, YO/Y, ZrO/Zr, BaO/Ba) decreased by 94.0 % when comparing an argon plasma with 1 mL min⁻¹ sample uptake rate to 50 μL min⁻¹ in a mixed-gas plasma. Carbon-based, nitrogen-based and argide interferences decreased by 50.6 % to 95.5 % depending on plasma condition, sample uptake rate, and interference type. Furthermore, matrix-based signal suppression arising from 100 mg L⁻¹ Na, Rb or Cs on 50 μg L⁻¹ Li, Mg, Cr, Mn, Co, Sr, Y, and Pb were almost fully mitigated under both plasma conditions at low sample uptake rate, with an increase in matrix effect mitigation observed in the mixed-gas plasma. By minimizing sample waste and wear on costly instrument components, the enclosed method offers a greener solution for analytical laboratories, decreasing operational costs and increasing sample throughput without introducing significant error or uncertainty. Ultimately, this work can be universally implemented, without the need for costly instrument modifications or consideration for instrument make or model.

利用低样品吸收率（50 μL min - 1）与含有1.1%氮的混合气体等离子体相结合，证明了一种通用且具有成本效益的方法可以减少氧化物，碳和氩气干扰，同时减轻复杂基质的信号抑制。低样品吸收率也减少了氩等离子体中的氮基干扰。当样品吸收率为1 mL min - 1的氩气等离子体与样品吸收率为50 μL min - 1的混合气体等离子体相比，氧化物干扰（ScO/Sc、YO/Y、ZrO/Zr、BaO/Ba）平均降低了94.0%。碳基、氮基和氩气干扰减少了50.6%至95.5%，具体取决于等离子体条件、样品摄取率和干扰类型。此外，在低样品吸收率的两种等离子体条件下，100 mg L−1 Na、Rb或Cs对50 μg L−1 Li、mg、Cr、Mn、Co、Sr、Y和Pb产生的基于基质的信号抑制几乎完全被缓解，并且在混合气体等离子体中观察到基质效应的缓解增加。通过最大限度地减少样品浪费和昂贵仪器组件的磨损，封闭式方法为分析实验室提供了更环保的解决方案，降低了操作成本，提高了样品吞吐量，而不会引入显着的误差或不确定性。最终，这项工作可以普遍实施，而不需要昂贵的仪器修改或考虑仪器制造或型号。

{"title":"A universal and cost-effective method for the mitigation of interferences in inductively coupled plasma mass spectrometry","authors":"Michael G.A. Trolio, Diane Beauchemin","doi":"10.1016/j.sab.2025.107308","DOIUrl":"10.1016/j.sab.2025.107308","url":null,"abstract":"<div><div>A universal and cost-effective method utilizing low sample uptake rate (50 μL min<sup>−1</sup>) combined with a mixed-gas plasma containing 1.1 % nitrogen is demonstrated to reduce oxide, carbon, and argide interferences while mitigating signal suppression from complex matrices. Low sample uptake rate also reduced nitrogen-based interferences in an argon plasma. On average, oxide interferences (ScO/Sc, YO/Y, ZrO/Zr, BaO/Ba) decreased by 94.0 % when comparing an argon plasma with 1 mL min<sup>−1</sup> sample uptake rate to 50 μL min<sup>−1</sup> in a mixed-gas plasma. Carbon-based, nitrogen-based and argide interferences decreased by 50.6 % to 95.5 % depending on plasma condition, sample uptake rate, and interference type. Furthermore, matrix-based signal suppression arising from 100 mg L<sup>−1</sup> Na, Rb or Cs on 50 μg L<sup>−1</sup> Li, Mg, Cr, Mn, Co, Sr, Y, and Pb were almost fully mitigated under both plasma conditions at low sample uptake rate, with an increase in matrix effect mitigation observed in the mixed-gas plasma. By minimizing sample waste and wear on costly instrument components, the enclosed method offers a greener solution for analytical laboratories, decreasing operational costs and increasing sample throughput without introducing significant error or uncertainty. Ultimately, this work can be universally implemented, without the need for costly instrument modifications or consideration for instrument make or model.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"236 ","pages":"Article 107308"},"PeriodicalIF":3.8,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814362","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

Quantitative mapping of gold nanoparticles and essential elements in plant tissue using laser ablation–single-particle inductively coupled plasma–time of flight mass spectrometry 利用激光烧蚀-单粒子电感耦合等离子体飞行时间质谱法定量定位植物组织中的金纳米粒子和必需元素

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107379

Aline Pereira de Oliveira , Ana Lores-Padín , Thibaut Van Acker , Iker Basabe-Mendizabal , Helton Pereira Nogueira , Juliana Naozuka , Cassiana Seimi Nomura , Frank Vanhaecke

The increasing use of nanomaterials has raised concerns regarding their environmental fate and impact on food safety. Nanoparticles (NPs) can be taken up by plants, undergo biotransformation, and accumulate in edible parts. While single-particle inductively coupled plasma-mass spectrometry (spICP-MS) allows characterization of NPs in suspension, it requires their extraction from biological tissues, erasing spatial information and potentially affecting particle integrity. In contrast, laser ablation–single-particle ICP–time of flight MS (LA-spICP-ToFMS) enables spatially resolved analysis via direct solid sampling, revealing the distribution of NPs and ionic species in plant tissues. A calibration approach based on gelatin microdroplets was developed for quantitative mapping of AuNPs and essential elements in plant tissues. Microdroplets (0.015–0.100 mg) containing 30, 50, or 100 nm AuNPs (8 × 10⁴ particles mg⁻¹) and suitable amounts of Cu, Fe, and Mn were manually deposited on microscope slides and ablated using an ArF*excimer-based LA system equipped with a low-dispersion tube-type cell. Mapping was performed with a 20 × 20 μm spot at low fluence (0.25 J cm⁻²) to preserve NP integrity. The transport efficiency for AuNPs ranged from 95 to 105 % for all sizes (30–100 nm). As proof of concept, cotyledon and stem cross-sections of Phaseolus vulgaris seedlings cultivated with ionic Au or 30 ± 3 nm AuNPs (both at 1 mg L⁻¹ Au), or without added Au, were analyzed. The method revealed AuNPs spatial distribution, particle concentration and size distribution, and effects on essential elements, proving suitable for assessing uptake, translocation, and interactions of AuNPs in plant systems.

越来越多地使用纳米材料引起了人们对其环境命运和对食品安全的影响的关注。纳米颗粒（NPs）可以被植物吸收，进行生物转化，并在可食用部位积累。虽然单粒子电感耦合等离子体质谱（spICP-MS）可以表征悬浮液中的NPs，但它需要从生物组织中提取NPs，从而消除空间信息并可能影响颗粒完整性。相比之下，激光烧蚀-单粒子icp -飞行时间质谱（LA-spICP-ToFMS）可以通过直接固体取样进行空间分辨分析，揭示植物组织中NPs和离子种类的分布。建立了一种基于明胶微滴的校准方法，用于植物组织中AuNPs和必需元素的定量定位。将含有30,50或100 nm AuNPs （8 × 104颗粒mg−1）和适量Cu， Fe和Mn的微滴（0.015-0.100 mg）人工沉积在显微镜载玻片上，并使用配备低色散管型细胞的ArF*准分子LA系统进行烧蚀。在低通量（0.25 J cm−2）下用20 × 20 μm点进行制图，以保持NP的完整性。在所有尺寸（30-100 nm）下，AuNPs的传输效率为95%至105%。为了证明这一概念，我们分析了在离子Au或30±3 nm AuNPs（均为1 mg L−1 Au）和未添加Au的情况下培养的Phaseolus vulgaris幼苗的子叶和茎截面。该方法揭示了AuNPs的空间分布、颗粒浓度和大小分布以及对必需元素的影响，证明该方法适用于评估植物系统中AuNPs的吸收、转运和相互作用。

{"title":"Quantitative mapping of gold nanoparticles and essential elements in plant tissue using laser ablation–single-particle inductively coupled plasma–time of flight mass spectrometry","authors":"Aline Pereira de Oliveira , Ana Lores-Padín , Thibaut Van Acker , Iker Basabe-Mendizabal , Helton Pereira Nogueira , Juliana Naozuka , Cassiana Seimi Nomura , Frank Vanhaecke","doi":"10.1016/j.sab.2025.107379","DOIUrl":"10.1016/j.sab.2025.107379","url":null,"abstract":"<div><div>The increasing use of nanomaterials has raised concerns regarding their environmental fate and impact on food safety. Nanoparticles (NPs) can be taken up by plants, undergo biotransformation, and accumulate in edible parts. While single-particle inductively coupled plasma-mass spectrometry (spICP-MS) allows characterization of NPs in suspension, it requires their extraction from biological tissues, erasing spatial information and potentially affecting particle integrity. In contrast, laser ablation–single-particle ICP–time of flight MS (LA-spICP-ToFMS) enables spatially resolved analysis via direct solid sampling, revealing the distribution of NPs <em>and</em> ionic species in plant tissues. A calibration approach based on gelatin microdroplets was developed for quantitative mapping of AuNPs and essential elements in plant tissues. Microdroplets (0.015–0.100 mg) containing 30, 50, or 100 nm AuNPs (8 × 10<sup>4</sup> particles mg<sup>−1</sup>) and suitable amounts of Cu, Fe, and Mn were manually deposited on microscope slides and ablated using an ArF*excimer-based LA system equipped with a low-dispersion tube-type cell. Mapping was performed with a 20 × 20 μm spot at low fluence (0.25 J cm<sup>−2</sup>) to preserve NP integrity. The transport efficiency for AuNPs ranged from 95 to 105 % for all sizes (30–100 nm). As proof of concept, cotyledon and stem cross-sections of <em>Phaseolus vulgaris</em> seedlings cultivated with ionic Au or 30 ± 3 nm AuNPs (both at 1 mg L<sup>−1</sup> Au), or without added Au, were analyzed. The method revealed AuNPs spatial distribution, particle concentration and size distribution, and effects on essential elements, proving suitable for assessing uptake, translocation, and interactions of AuNPs in plant systems.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"236 ","pages":"Article 107379"},"PeriodicalIF":3.8,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145814363","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 tribute to mentor and advisor Dr. John Olesik on his 70th birthday 向导师兼顾问John Olesik博士70岁生日致敬

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107423

Patrick J. Gray

引用次数: 0

Fast-sequential determination of As, Bi, Cd, Ge, Hg, Sb and Sn by CVG-MIP OES using a multimode sample introduction system 多模样品导入系统CVG-MIP OES快速序列测定As、Bi、Cd、Ge、Hg、Sb和Sn

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2025-12-24 DOI: 10.1016/j.sab.2025.107446

Letícia C. Brudi, Eliana T.F. Larruscain, Andressa D.W.V. Martinez, Gustavo R. Bitencourt, Paola A. Mello, Fabio A. Duarte

The purpose of this study was to develop a method coupling chemical vapor generation (CVG) and microwave-induced plasma optical emission spectrometry (MIP OES) for the determination of As, Bi, Cd, Ge, Hg, Sb and Sn in environmental matrices, such as coal, marine, and lake sediment. The main parameters for the development of CVG-MIP OES method were the concentration of NaBH₄ (0.1 to 2 % m/v) and HCl (1 to 7 mol L⁻¹) solutions, the type (thiourea, L-cysteine, potassium iodide and hydroxylamine hydrochloride) and concentration (0.1 to 2 % m/v) of pre-reducing agents solutions, the operational conditions for MIP OES instrument, the interferences caused by transition metals (in the range of 25 to 1000 μg L⁻¹), and the concentration of HNO₃ (5 to 40 %) in the samples. The proposed method allows for achieving limit of detection (LOD) values of 199, 45.4, 112, 75.8, 89.7, 61.9, and 79.4 ng g⁻¹ for As, Bi, Cd, Ge, Hg, Sb, and Sn, respectively. The accuracy was evaluated by the analysis of three certified reference materials: coal (NIST 1632c), marine sediment (PACS-2) and lake sediment (SUD-1), with agreement ranging from 92 to 111 %. Thus, the CVG-MIP OES method proved to be effective for As, Bi, Cd, Ge, Hg, Sb, and Sn determination in samples with different compositions, being robust regarding HNO₃ concentration and interfering metals concentration. A significant reduction in the LOD of the MIP OES technique was obtained. Finally, the proposed method is a cost-effective alternative to the traditional plasma-based techniques, due to its low long-term cost and good robustness.

本研究的目的是建立一种耦合化学蒸汽产生（CVG）和微波诱导等离子体光学发射光谱（MIP OES）的方法，用于测定煤、海洋和湖泊沉积物等环境基质中的As、Bi、Cd、Ge、Hg、Sb和Sn。CVG-MIP OES的发展方法的主要参数是NaBH4的浓度(m / v 0.1 - 2%)和盐酸(1 - 7摩尔L−1)解决方案,类型(硫脲,半胱氨酸,碘化钾和盐酸羟胺)和浓度(0.1米/ v) 2%的pre-reducing代理解决方案,MIP海洋能仪器,操作条件造成的干扰过渡金属(在25到1000μg L−1),和硝酸的浓度(5 - 40%)的样品。该方法对As、Bi、Cd、Ge、Hg、Sb和Sn的检测限（LOD）分别为199、45.4、112、75.8、89.7、61.9和79.4 ng g−1。准确度通过分析三种认证标准物质进行评估：煤（NIST 1632c），海洋沉积物（PACS-2）和湖泊沉积物（SUD-1），一致性范围为92%至111%。因此，CVG-MIP OES法对不同成分样品的As、Bi、Cd、Ge、Hg、Sb、Sn的测定是有效的，对HNO3浓度和干扰金属浓度的测定是稳健的。MIP OES技术的LOD显著降低。最后，该方法长期成本低，鲁棒性好，是传统等离子体技术的一种经济有效的替代方法。

{"title":"Fast-sequential determination of As, Bi, Cd, Ge, Hg, Sb and Sn by CVG-MIP OES using a multimode sample introduction system","authors":"Letícia C. Brudi, Eliana T.F. Larruscain, Andressa D.W.V. Martinez, Gustavo R. Bitencourt, Paola A. Mello, Fabio A. Duarte","doi":"10.1016/j.sab.2025.107446","DOIUrl":"10.1016/j.sab.2025.107446","url":null,"abstract":"<div><div>The purpose of this study was to develop a method coupling chemical vapor generation (CVG) and microwave-induced plasma optical emission spectrometry (MIP OES) for the determination of As, Bi, Cd, Ge, Hg, Sb and Sn in environmental matrices, such as coal, marine, and lake sediment. The main parameters for the development of CVG-MIP OES method were the concentration of NaBH<sub>4</sub> (0.1 to 2 % m/v) and HCl (1 to 7 mol L<sup>−1</sup>) solutions, the type (thiourea, L-cysteine, potassium iodide and hydroxylamine hydrochloride) and concentration (0.1 to 2 % m/v) of pre-reducing agents solutions, the operational conditions for MIP OES instrument, the interferences caused by transition metals (in the range of 25 to 1000 μg L<sup>−1</sup>), and the concentration of HNO<sub>3</sub> (5 to 40 %) in the samples. The proposed method allows for achieving limit of detection (LOD) values of 199, 45.4, 112, 75.8, 89.7, 61.9, and 79.4 ng g<sup>−1</sup> for As, Bi, Cd, Ge, Hg, Sb, and Sn, respectively. The accuracy was evaluated by the analysis of three certified reference materials: coal (NIST 1632c), marine sediment (PACS-2) and lake sediment (SUD-1), with agreement ranging from 92 to 111 %. Thus, the CVG-MIP OES method proved to be effective for As, Bi, Cd, Ge, Hg, Sb, and Sn determination in samples with different compositions, being robust regarding HNO<sub>3</sub> concentration and interfering metals concentration. A significant reduction in the LOD of the MIP OES technique was obtained. Finally, the proposed method is a cost-effective alternative to the traditional plasma-based techniques, due to its low long-term cost and good robustness.</div></div>","PeriodicalId":21890,"journal":{"name":"Spectrochimica Acta Part B: Atomic Spectroscopy","volume":"237 ","pages":"Article 107446"},"PeriodicalIF":3.8,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145883997","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

首页上一页

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Spectrochimica Acta Part B: Atomic Spectroscopy

全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.

﹀