Spectrochimica Acta Part B: Atomic Spectroscopy最新文献_第6页

Advancing automated mineral identification through LIBS imaging for lithium-bearing mineral species 利用LIBS成像技术推进含锂矿物的自动识别

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-22 DOI: 10.1016/j.sab.2024.107085

Diana Capela , Tomás Lopes , Filipa Dias , Miguel F.S. Ferreira , Joana Teixeira , Alexandre Lima , Pedro A.S. Jorge , Nuno A. Silva , Diana Guimarães

Mineral identification is a challenging task in geological sciences, which often implies multiple analyses of the physical and chemical properties of the samples for an accurate result. This task is particularly critical for the mining industry, where proper and fast mineral identification may translate into major efficiency and performance gains, such as in the case of the lithium mining industry. In this study, a mineral identification algorithm optimized for analyzing lithium-bearing samples using Laser-induced breakdown spectroscopy (LIBS) imaging, is put to the test with a set of representative samples. The algorithm incorporates advanced spectral processing techniques—baseline removal, Gaussian filtering, and data normalization—alongside unsupervised clustering to generate interpretable classification maps and auxiliary charts. These enhancements facilitate rapid and precise labelling of mineral compositions, significantly improving the interpretability and interactivity of the user interface. Extensive testing on diverse mineral samples with varying complexities confirmed the algorithm's robustness and broad applicability. Challenges related to sample granulometry and LIBS resolution were identified, suggesting future directions for optimizing system resolution to enhance classification accuracy in complex mineral matrices. The integration of this advanced algorithm with LIBS technology holds the potential to accelerate the mineral evaluation, paving the way for more efficient and sustainable mineral exploration.

在地质科学中，矿物鉴定是一项具有挑战性的任务，通常需要对样品的物理和化学性质进行多次分析才能得到准确的结果。这项任务对于采矿业来说尤其重要，在采矿业中，适当和快速的矿物识别可能会转化为重大的效率和性能提升，例如锂采矿业。在本研究中，利用激光诱导击穿光谱（LIBS）成像对一种矿物识别算法进行了优化，并对一组具有代表性的样品进行了测试。该算法结合了先进的光谱处理技术-基线去除，高斯滤波和数据归一化-以及无监督聚类，以生成可解释的分类图和辅助图表。这些改进有助于快速和精确地标记矿物成分，显著提高用户界面的可解释性和交互性。在不同复杂程度的矿物样品上进行的大量测试证实了该算法的鲁棒性和广泛的适用性。指出了与样品粒度测定和LIBS分辨率相关的挑战，提出了优化系统分辨率以提高复杂矿物基质分类精度的未来方向。将这种先进的算法与LIBS技术相结合，有可能加速矿物评价，为更有效和可持续的矿物勘探铺平道路。

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引用次数: 0

Theoretical analysis of argon 2p states' density ratios for nanosecond plasma optical emission spectroscopy 纳秒等离子体发射光谱中氩2p态密度比的理论分析

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-21 DOI: 10.1016/j.sab.2024.107080

L. Kusýn , A.P. Jovanović , D. Loffhagen , M.M. Becker , T. Hoder

A theoretical analysis of excited argon state densities responsible for optical emission spectra of atmospheric pressure argon plasma is presented for its use in plasma diagnostics. Nanosecond pulsed barrier discharges are simulated using spatially one- and two-dimensional fluid-Poisson models using the reaction kinetics model presented by Stankov et al. [1], which considers all ten argon 2p states (Paschen notation) separately. The very first (single) discharge and repetitive discharges with frequencies from 5 kHz to 100 kHz are considered. A semi-automated procedure is utilized to find appropriate 2p states for electric field determination using an intensity ratio method, which is based on a time-dependent collisional-radiative model. The fluid simulations in combination with the semi-automated procedure are used to quantify the sensitivity of selected 2p-state ratios to given preionization of the gas. A highly sensitive time-correlated single photon counting experiment shows clearly that the selected ratio is sensitive to the electric field variation in the streamer head, yet additional calibration is needed for absolute values determination. Different approaches for effective lifetime determination are tested and applied also to measured data. The influence of radial and axial 2p state density integration on the intensity ratio method is discussed. The above mentioned models and procedures result in a flexible theory-based methodology applicable for development of new diagnostic techniques.

本文对常压氩等离子体发射光谱的激发氩态密度进行了理论分析，用于等离子体诊断。利用Stankov等人提出的反应动力学模型，利用空间一维和二维流体-泊松模型模拟纳秒脉冲势垒放电，该模型分别考虑了所有十种氩2p态（Paschen符号）。考虑了频率从5 kHz到100 kHz的第一次（单次）放电和重复放电。利用半自动化的程序，利用强度比法确定合适的2p态，该方法基于时间相关的碰撞辐射模型。流体模拟与半自动化程序相结合，用于量化所选2p态比对给定气体预电离的敏感性。高灵敏度的时间相关单光子计数实验表明，所选择的比值对流光头电场变化很敏感，但绝对值的确定需要额外的校准。对有效寿命测定的不同方法进行了测试，并将其应用于测量数据。讨论了径向和轴向2p态密度积分对强度比法的影响。上述模型和程序产生了一种灵活的基于理论的方法，适用于开发新的诊断技术。

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引用次数: 0

Effect of Ar on parameters of nitrogen microwave-induced plasma optical emission spectrometry 氩对氮微波等离子体发射光谱参数的影响

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-20 DOI: 10.1016/j.sab.2024.107084

Oleg V. Komin, Oleg V. Pelipasov

The effect of Ar content in the range of 0–100 % was studied separately in the outer, intermediate and nebulizer gas flow on the excitation temperature and electron density, the intensity of element lines and the molecular background in a N₂ microwave induced plasma. The addition of Ar to the nebulizer flow leads to an increase in the intensities of both atomic and ionic lines with total excitation energies (E_sum) 3–13 eV to 1.7 times, depending on the selected line. Addition to the outer or intermediate flow shifts the atomic-ionic equilibrium towards the formation of ions. As a result, the intensity of ionic lines (E_sum = 10–13 eV) increases up to 1.2 times, the decrease in the intensity of atomic lines (E_sum = 3–6 eV) reaches up to 20 %. The excitation temperature and electron density in the plasma did not change significantly regardless of which flow the argon was fed into. The intensity of the molecular components of the plasma background (OH, NH, NO) changes significantly when Ar is introduced into the nebulizer flow. The OH intensity increases to 1.8 times, and NH intensity increases to 1.5 times at 100 % Ar relative to pure N₂ plasma. Supplying 100 % Ar simultaneously into the intermediate and nebulizer gas flow and N₂ into the outer flow allows one to reduce the limits of detection by up to 3.3 times, depending on the selected spectral line of the element.

分别研究了外、中、雾化器气流中Ar含量在0 ~ 100%范围内对N2微波诱导等离子体中激发温度、电子密度、元素谱线强度和分子背景的影响。在雾化器流中加入Ar会导致总激发能（Esum）为3-13 eV的原子和离子线的强度增加到1.7倍，这取决于所选择的线。除了外部或中间流动外，原子-离子平衡向离子形成方向转移。结果表明，离子谱线（Esum = 10 ~ 13 eV）的强度提高了1.2倍，原子谱线（Esum = 3 ~ 6 eV）的强度降低了20%。等离子体内的激发温度和电子密度在不同的氩气流中没有明显的变化。当氩气进入雾化器流中时，等离子体背景分子组分（OH， NH， NO）的强度发生了显著变化。与纯N2等离子体相比，在100% Ar条件下，OH强度增加到1.8倍，nhh强度增加到1.5倍。根据所选元素的谱线，同时向中间和雾化器气体流中提供100%的Ar，并向外部流中提供N2，可以将检测极限降低3.3倍。

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引用次数: 0

Unraveling Li I 670.8 nm self-reversal and atomic distribution inhomogeneity in laser ablation plumes under varying argon pressures 不同氩压下激光烧蚀羽流中Li I 670.8 nm自反转和原子分布不均匀性的揭示

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-20 DOI: 10.1016/j.sab.2024.107081

Nusrat Karim , Mathew P. Polek , Andrew M. Casella , David J. Senor , Sivanandan S. Harilal , Elizabeth J. Kautz

Laser Induced Breakdown Spectroscopy (LIBS) offers a promising rapid detection method for ^6,7Li isotopic analysis. The Li I 670.8 nm provides the largest isotopic shift in the UV-VIS spectral region (

\approx

15.8 pm). However, Li 670.8 nm transition is a resonance doublet and possesses very high transition probability, making it susceptible to self-absorption and self-reversal, which can affect line width, shape, and overall analytical capabilities. Environmental factors, such as the pressure and type of ambient gas, significantly influence the physical conditions of plasma and its hydrodynamics, thereby impacting the self-reversal phenomenon. In this study, we investigate plasmas generated via nanosecond laser ablation of a LiAlO₂ target with natural isotopic abundance in an inert gas (Ar) environment at pressures ranging from 0.1 to 100 Torr. Complementary fast-gated Li monochromatic imaging and spatially-integrated optical emission spectroscopy were used to explore the relationship between Li atomic distribution and emission gradients in laser-produced plasmas and self-reversal in Li I spectral features. Results highlight that self-reversal is prominent at later times in plasma evolution (greater than 5 μs) for Ar pressure levels between 1 and 100 Torr, due to a significant buildup of Li ground level population at the plume-background gas interface. Conversely, at lower pressures (0.1 Torr or less), rapid plasma expansion without a strong plume-background interface results in the absence of self-reversal in the Li I spectral profiles.

激光诱导击穿光谱（LIBS）为6,7 li同位素分析提供了一种很有前途的快速检测方法。Li I 670.8 nm在UV-VIS光谱区提供最大的同位素位移（≈15.8 pm）。然而，Li 670.8 nm的跃迁是共振双重态，具有非常高的跃迁概率，容易受到自吸收和自反转的影响，从而影响线宽、形状和整体分析能力。环境因素，如环境气体的压力和类型，会显著影响等离子体的物理条件及其流体动力学，从而影响自反转现象。在这项研究中，我们研究了在0.1至100 Torr的惰性气体（Ar）环境下，通过纳秒激光烧蚀具有天然同位素丰度的LiAlO2靶产生的等离子体。利用互补快速门控Li单色成像和空间集成光学发射光谱研究了激光等离子体中Li原子分布与发射梯度的关系以及Li I光谱特征的自反转。结果表明，当Ar压力水平在1 ~ 100 Torr之间时，等离子体演化的后期（大于5 μs）出现了显著的自反转，这是由于羽流-背景气体界面上Li的地面能级聚集显著导致的。相反，在较低的压力下（0.1托或更低），没有强大的羽流背景界面的快速等离子体膨胀导致Li I光谱剖面中没有自反转。

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引用次数: 0

Determination of Am full isotope compositions (241Am, 242Am, 243Am) at trace level by multiple-collector - ICP-MS with a desolvation device for sample introduction 多捕集器- ICP-MS法测定痕量Am （241Am, 242Am, 243Am）全同位素组成

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-19 DOI: 10.1016/j.sab.2024.107077

Wei Wang, Lei Feng, Ruiyang Xi, Wenliang Wang, Jiang Xu, Yalong Wang, Siqi Guo, Pengfei Zhang, Manchao Zhang, Yunhe Zhang, Fan Yu, Yufeng Wang, Yongyang Su, Sui Fang, Xianglong Yuang, Zhiming Li

Americium isotopes are crucial in various nuclear-related fields such as nuclear fuel cycle, nuclear forensics and nuclear safeguards. This study introduces enhanced methodologies for precise determination of ²⁴²Am/²⁴¹Am and ²⁴³Am/²⁴¹Am in trace americium by employing Multiple Collector Inductively Coupled Plasma Mass Spectrometry (MC-ICP-MS) and Total Evaporation-Thermal Ionization Mass Spectrometry (TE-TIMS). We established a standard-sample bracketing (SSB) method with uranium-certified reference material (U CRM) to correct the mass fractionation and ion counter gain yield among different isotopes in MC-ICP-MS. The new methods were successfully applied to an aliquot of an ²⁴¹Am progeny sample, an ²⁴¹Am activity standard solution and an in-house Am isotopic working standard, achieving detection limits of 10⁻⁷ for ²⁴²Am and ²⁴³Am. Analysis requires an aliquot containing about 1 ng of ²⁴¹Am for MC-ICP-MS with a desolvation device for sample introduction and about 5 ng for TE-TIMS to determine ²⁴²Am/²⁴¹Am ratios close to 10⁻⁵ and ²⁴³Am/²⁴¹Am ratios close to 10⁻⁴, with observed relative standard deviations of 0.2 %. Comparative analysis of ²⁴²Am/²⁴¹Am and ²⁴³Am/²⁴¹Am using classical TE-TIMS and the newly developed MC-ICP-MS confirms their consistency within uncertainties, validating the precision of MC-ICP-MS in americium isotope ratio determination. These findings indicate that the ²⁴¹Am activity standard sample was directly sourced from irradiated material rather than from a ²⁴¹Pu solution, highlighting the methodology's applicability to nuclear forensics and nuclear fuel cycles.

镅同位素在核燃料循环、核取证和核保障等核相关领域发挥着至关重要的作用。本研究采用多收集器电感耦合等离子体质谱法（MC-ICP-MS）和全蒸发-热电离体质谱法（TE-TIMS）对痕量镅中的242Am/241Am和243Am/241Am进行了精确测定。为了校正MC-ICP-MS中不同同位素之间的质量分馏和离子计数器增益率，建立了铀认证标准物质（U CRM）的标准样品包封（SSB）方法。新方法成功地应用于241Am子代样品、241Am活度标准溶液和内部Am同位素工作标准的等分，242Am和243Am的检出限为10−7。MC-ICP-MS分析需要含有约1 ng 241Am的等分物，并使用解溶装置进行样品导入，TE-TIMS分析需要含有约5 ng 242Am/241Am的等分物，以确定242Am/241Am接近10 - 5和243Am/241Am接近10 - 4的比例，观察到的相对标准偏差为0.2%。利用经典TE-TIMS和新开发的MC-ICP-MS对242Am/241Am和243Am/241Am进行对比分析，证实了它们在不确定度内的一致性，验证了MC-ICP-MS测定镅同位素比的精度。这些发现表明，241Am活度标准样品直接来自辐照材料，而不是来自241Pu溶液，突出了该方法对核取证和核燃料循环的适用性。

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引用次数: 0

Abel transform of laser-induced plasma image: Overcoming challenges of noisy and insufficient data for reliable reconstruction 激光诱导等离子体图像的阿贝尔变换：克服噪声和数据不足的挑战，实现可靠的重建

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-19 DOI: 10.1016/j.sab.2024.107079

A.V. Rylov, A.S. Zakuskin, T.A. Labutin

Reconstructing spatial distribution of emissivity is important for study of heterogeneous plasma sources. However, often used Radon and Abel transforms tend to amplify noise in the data. The small size and short lifetime of laser-induced plasma result in short exposures for signal acquisition, and, consequently limited number of points along the source available for measurements and noisy signals. We compared 14 Abel transform algorithms and various noise processing methods, focusing on both limited data points and high noise levels. All algorithms were presented in matrix form to ensure fair comparison, and we proposed a metric based on the largest singular value of matrix operator for error assessment. An error analysis is performed to show the contribution of approximation and noise errors to the overall reconstruction error. Our results indicate that at higher noise levels, the choice of noise reduction method is more critical than the inversion algorithm itself, with regularization proving to be the most effective for noise control. Given the minimal impact of algorithm choice on the final result, simple and easy-to-implement methods like “Onion Peeling” are recommended to be combined with regularization. Furthermore, transforms with regularization were the most stable for reconstructing complex profiles. Summarizing the results for all considered cases, “Hankel-Fourier” and “Cubic Spline” are the most accurate for noiseless data with limited number of spatial points, while for cases with a large amount of data, “Polynomial”, “Piessens-Verbaeten”, and “Minerbo-Levy” are better, especially for noisy data.

重构发射率的空间分布对非均质等离子体源的研究具有重要意义。然而，经常使用的Radon和Abel变换往往会放大数据中的噪声。激光诱导等离子体的小尺寸和短寿命导致信号采集的暴露时间短，因此沿着源可用于测量和噪声信号的点的数量有限。我们比较了14种阿贝尔变换算法和各种噪声处理方法，重点关注有限的数据点和高噪声水平。所有算法都以矩阵形式呈现，以保证公平的比较，并提出了基于矩阵算子最大奇异值的度量来评估误差。误差分析显示了近似误差和噪声误差对整体重构误差的贡献。研究结果表明，在较高的噪声水平下，降噪方法的选择比反演算法本身更为关键，其中正则化被证明是最有效的降噪方法。考虑到算法选择对最终结果的影响最小，建议将“Onion Peeling”等简单易行的方法与正则化相结合。此外，正则化变换对于重建复杂剖面是最稳定的。总结所有考虑情况的结果，对于空间点数量有限的无噪声数据，“Hankel-Fourier”和“Cubic Spline”是最准确的，而对于数据量很大的情况，“Polynomial”，“Piessens-Verbaeten”和“Minerbo-Levy”更好，特别是对于有噪声的数据。

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引用次数: 0

Effects of gas temperature on equivalence ratio measurement in premixed methane–Air flame using laser-induced breakdown spectroscopy 气体温度对激光诱导击穿光谱法测定甲烷-空气预混火焰等效比的影响

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-16 DOI: 10.1016/j.sab.2024.107075

Kaikai Kou , Weiran Song , Zongyu Hou , Zhe Wang

Laser-induced breakdown spectroscopy (LIBS) has been demonstrated as a promising technique for real-time combustion diagnosis due to its capacity for simultaneous multi-species analysis. The gradient of species concentration in reacting flows often coupled with variations in gas temperature which prevented accurate concentration measurement. The effect of gas temperature on spectral emission intensity and plasma property was comprehensively investigated by employing a Bunsen flame. With the increasing of gas temperature, less laser energy was deposited into the plasma, resulting in a monotonic decline in plasma volume, brightness and atomic emission intensity. Conversely, the plasma temperature improved due to fewer gas molecules being excited. The intensity of ionic lines and electron density were initially increased but subsequently decreased, with the reduction in gas density playing a dominant role at higher gas temperature. Intensity ratio pairs of C/O and H/O were found to be susceptible to gas temperature. The deviation of C/O ratio caused by gas temperature from burner nozzle to Bunsen tip (∼1100 °C) was about 28.4 %. Clear elucidation of the effect of gas temperature provides reliable basis to accurate combustion diagnosis with LIBS.

激光诱导击穿光谱（LIBS）由于能够同时进行多组分分析而被证明是一种很有前途的实时燃烧诊断技术。反应流中物质浓度的梯度常常与气体温度的变化相结合，这妨碍了精确的浓度测量。采用本生火焰全面研究了气体温度对光谱发射强度和等离子体性能的影响。随着气体温度的升高，沉积到等离子体中的激光能量减少，导致等离子体体积、亮度和原子发射强度单调下降。相反，由于较少的气体分子被激发，等离子体温度提高。离子谱线强度和电子密度呈先升高后降低的趋势，在较高的气体温度下，气体密度的降低起主导作用。C/O和H/O强度比对受气体温度影响较大。从燃烧器喷嘴到本生灯尖（~ 1100℃）的气体温度引起的C/O比偏差约为28.4%。明确气体温度的影响为利用LIBS进行准确的燃烧诊断提供了可靠的依据。

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引用次数: 0

Performance assessment of a fully 3D-printed, plastic concentric nebulizer meant for short-term ICP-MS trace analytical use 用于短期ICP-MS痕量分析的全3d打印塑料同心雾化器的性能评估

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-15 DOI: 10.1016/j.sab.2024.107078

Gyula Kajner , Ádám Bélteki , Martin Cseh , Zsolt Geretovszky , Imre Szenti , Ákos Kukovecz , Tibor Ajtai , Gábor Galbács

We have designed and successfully fabricated a fully 3D-printed concentric nebulizer made of an acrylicate-based resin using material jetting technology. Computer tomography images confirmed that the details of the nebulizer design were fairly well preserved during the printing. The aerosol quality and the inductively coupled plasma mass spectrometry (ICP-MS) analytical performance of the nebulizer were investigated in detail and compared to that of a borosilicate glass MicroMist nebulizer. It was found that the aerosol quality and production efficiency was similar to that of the glass nebulizer in the most important particle size range below ca. 7 μm. The chemical resistance and purity of the resin was tested by leaching experiments and laser induced breakdown spectroscopy measurements and it was found to only give rise to some very low level contamination from alkali elements, thus it is suitable for trace analytical ICP-MS use. The 3D-printed plastic and the glass nebulizer gave a comparable performance in terms of background signal intensites, limit of detection and background equivalent concentration values. After 50 h of net service time with acidified aqueous solutions, the 3D-printed nebulizer's performance was re-assessed and only a minor deterioration was found, which indicates that there are no serious issues with aging or erosion, at least during short-term use. Our results therefore suggest that 3D-printing technology is now capable of producing useful sample introduction devices for ICP-MS use.

我们设计并成功制造了一种完全3d打印的同心雾化器，该雾化器由丙烯酸酯基树脂制成，采用材料喷射技术。计算机断层扫描图像证实，喷雾器设计的细节在印刷过程中保存得相当完好。详细研究了该雾化器的气溶胶质量和电感耦合等离子体质谱（ICP-MS）分析性能，并与硼硅玻璃微雾雾化器进行了比较。在约7 μm以下最重要的粒径范围内，气溶胶的质量和生产效率与玻璃雾化器相当。通过浸出实验和激光诱导击穿光谱测量对树脂的耐化学性和纯度进行了测试，发现树脂只会产生一些非常低水平的碱元素污染，因此它适合用于痕量分析ICP-MS。3d打印塑料喷雾器和玻璃喷雾器在背景信号强度、检测限和背景等效浓度值方面的性能相当。在酸化水溶液中净使用50小时后，对3d打印雾化器的性能进行了重新评估，只发现了轻微的恶化，这表明至少在短期使用期间没有出现严重的老化或侵蚀问题。因此，我们的研究结果表明，3d打印技术现在能够为ICP-MS使用生产有用的样品导入装置。

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引用次数: 0

Assessment of acupuncture's effectiveness in treating gulf war illness using laser induced breakdown spectroscopy and inductively coupled plasma mass spectrometry 利用激光诱导击穿光谱法和电感耦合等离子体质谱法评估针灸治疗海湾战争疾病的效果

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-15 DOI: 10.1016/j.sab.2024.107076

Kemal E. Eseller , Ali Safi , Helmar G. Adler , Lisa Conboy , Richard M. Gaschnig , Noureddine Melikechi

In an effort to contribute to define whether Gulf War Illness (GWI) has physiological aspects, we evaluated the effectiveness of acupuncture treatment by measuring blood plasma metal levels and comparing them to the McGill pain scores of 22 patients. We analyzed the blood plasma samples of 22 GWI patients who underwent 2 acupuncture treatments per week. We analyzed the blood metal levels of these patients at baseline and after 2 and 4 months of treatment with acupuncture using laser-induced breakdown spectroscopy (LIBS). Principal component analysis (PCA) loadings of the LIBS data revealed that emission lines of sodium, potassium, magnesium, and calcium were key features differentiating the two types of blood plasma samples. We also conducted inductively coupled plasma mass spectrometry (ICP-MS) measurements on the same samples and compared the findings to the McGill pain scores of the patients. Levels of sodium, potassium, magnesium, phosphorus, iron, copper, and zinc for all 22 patients were measured using ICP-MS. We observed after 2 and 4 months of acupuncture treatment, the Pearson correlation coefficient of the McGill pain score and the concentrations of phosphorus (P), and zinc (Zn), exhibit a moderate positive correlation with changes in the McGill pain score, with Pearson correlation coefficients of 47 % (p = 0.026) for the 0–2-month period, 45 % (p = 0.038) for the 0–4-month period, and 42 % (p = 0.05) for the 0–2-month period, respectively. Sodium (Na) exhibits a nearly moderate correlation, with a Pearson coefficient of 39 % and a p-value of 0.07. Our result suggests a potential link between element concentrations, acupuncture treatment and pain response.

为了帮助确定海湾战争疾病（GWI）是否与生理因素有关，我们通过测量血浆金属水平并将其与 22 名患者的麦吉尔疼痛评分进行比较，评估了针灸治疗的效果。我们分析了 22 名每周接受 2 次针灸治疗的 GWI 患者的血浆样本。我们使用激光诱导击穿光谱法（LIBS）分析了这些患者在基线以及接受针灸治疗 2 个月和 4 个月后的血液金属含量。激光诱导击穿光谱数据的主成分分析（PCA）载荷显示，钠、钾、镁和钙的发射线是区分两种血浆样本的关键特征。我们还对相同的样本进行了电感耦合等离子体质谱（ICP-MS）测量，并将测量结果与患者的麦吉尔疼痛评分进行了比较。我们使用 ICP-MS 测量了所有 22 名患者体内钠、钾、镁、磷、铁、铜和锌的含量。我们观察到，针灸治疗 2 个月和 4 个月后，麦吉尔疼痛评分与磷（P）和锌（Zn）浓度的皮尔逊相关系数与麦吉尔疼痛评分的变化呈中度正相关，0-2 个月的皮尔逊相关系数为 47 %（P = 0.0-2个月的皮尔逊相关系数分别为 47% (p = 0.026)，0-4个月的皮尔逊相关系数分别为 45% (p = 0.038)，0-2个月的皮尔逊相关系数分别为 42% (p = 0.05)。钠（Na）的相关性接近中等，皮尔逊系数为 39%，p 值为 0.07。我们的研究结果表明，元素浓度、针灸治疗和疼痛反应之间存在潜在联系。

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引用次数: 0

Characterization of the distribution of mineral elements in chromium-stressed rice (Oryza sativa L.) leaves based on laser-induced breakdown spectroscopy and data augmentation 基于激光诱导击穿光谱和数据增强的铬胁迫水稻（Oryza sativa L.）叶片中矿物质元素的分布表征

IF 3.2 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2024-11-07 DOI: 10.1016/j.sab.2024.107072

Jiyu Peng , Longfei Ye , Yifan Liu , Fei Zhou , Linjie Xu , Fengle Zhu , Jing Huang , Fei Liu

The fast and precise visualization of mineral elements in contaminated plants is crucial for understanding nutrient dynamics, plant health, and environmental monitoring. In this study, a Wasserstein generative adversarial network (WGAN) is proposed to expand the data scale and combines laser-induced breakdown spectroscopy (LIBS) with three machine learning methods for mineral elements analysis in Cr-stressed rice (Oryza sativa L.) leaves. In the quantitative analysis of mineral elements, the proposed method improved the prediction performance for Cu, K, Mg, Mn, and Na, except for Ca and Fe, demonstrating the effectiveness of data augmentation in enhancing the quantitative models. Mapping the distribution of Ca, Fe, Mg, K, Mn, and Na in rice leaves shows higher concentrations towards the apical regions and approximately symmetrical distribution along the leaf vein. Additionally, Fe, K, and Mn concentrations are significantly lower in Cr-polluted leaves compared to uncontaminated leaves. These preliminary findings offer insights into the macro distribution of mineral elements in plants.

快速、精确地可视化受污染植物中的矿物元素对于了解养分动态、植物健康和环境监测至关重要。本研究提出了一种 Wasserstein 生成式对抗网络（WGAN）来扩大数据规模，并将激光诱导击穿光谱（LIBS）与三种机器学习方法相结合，用于分析受铬胁迫的水稻（Oryza sativa L.）叶片中的矿物元素。在矿物元素定量分析中，除 Ca 和 Fe 外，所提出的方法提高了 Cu、K、Mg、Mn 和 Na 的预测性能，证明了数据扩增在增强定量模型方面的有效性。绘制的水稻叶片中 Ca、Fe、Mg、K、Mn 和 Na 的分布图显示，叶片顶端区域的浓度较高，且沿叶脉大致对称分布。此外，与未受污染的叶片相比，受铬污染的叶片中铁、钾和锰的浓度明显较低。这些初步发现有助于深入了解植物中矿物质元素的宏观分布。

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引用次数: 0