Spectrochimica Acta Part B: Atomic Spectroscopy最新文献_第7页

Development of a spectral X-ray fluorescence database to strengthen the scientific foundations for the forensic analysis and interpretation of modern soda-lime glass 开发光谱x射线荧光数据库，以加强现代钠钙玻璃的法医分析和解释的科学基础

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-16 DOI: 10.1016/j.sab.2025.107361

Zachary Andrews , Troy Ernst , Cedric Neumann , Tatiana Trejos

This study offers scientific support for the updated standard for micro X-ray fluorescence (μXRF, ASTM E2926) used in forensic glass analysis, reflecting recent changes in modern soda-lime glass formulations and newer μXRF systems with silicon drift detectors (SDDs). To develop this standard, an extensive database has been developed, showing changes in the elemental profiles of modern glass and the forensic implications of the improved analytical capabilities of SDDs. The database comprises over 2000 fragments from 112 known sources of vehicle and architectural windows, including glasses treated with laminating, tempering, and e-coating techniques. The study reveals that different sampling and comparison criteria are required due to the improved precision and sensitivity of SDD and variations in spatial heterogeneity of glass. The comparison interval recommended for older systems with SiLi detectors produces higher false exclusion rates (up to 15 %). Therefore, a modified 3 s comparison criterion is recommended for SDDs to minimize error rates. The modified 3 s criterion accounts for data with precision lower than 3 % RSD by defining the range of the known sample as three times the standard deviation of the measurements or three times 3 % of the mean, whichever is greater. This criterion yielded false exclusion and inclusion rates less than 3 % and 0.7 %, respectively for various sets of full-thickness glass fragments when using at least ten fragments to characterize the heterogeneity of the known sample. The findings raise awareness of the detection of distinctive elements in the nanometer-thick e-coated layer and lead to recommendations for addressing spatial variations.

该研究为法医玻璃分析中使用的微x射线荧光（μXRF, ASTM E2926）的更新标准提供了科学支持，反映了现代钠石灰玻璃配方的最新变化和带有硅漂移检测器（sdd）的新μXRF系统。为了制定这一标准，已经开发了一个广泛的数据库，显示了现代玻璃元素特征的变化以及改进的sdd分析能力的法医意义。该数据库包括来自112个已知来源的车辆和建筑窗户的2000多个碎片，包括经过层压、回火和电子涂层技术处理的玻璃。研究表明，由于SDD的精度和灵敏度的提高以及玻璃的空间异质性的变化，需要不同的采样和比较标准。对于使用SiLi检测器的旧系统，推荐的比较间隔会产生更高的误排除率（高达15%）。因此，建议对sdd使用修改后的3s比较标准，以尽量减少错误率。修正后的3s标准将已知样本的范围定义为测量值的标准偏差的三倍或平均值的三倍，以较大者为准，用于解释精度低于3% RSD的数据。当使用至少10个碎片来表征已知样品的异质性时，该标准产生的假排除率和包含率分别小于3%和0.7%。这些发现提高了人们对纳米厚电子涂层中不同元素检测的认识，并为解决空间差异提出了建议。

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引用次数: 0

Predicting geochemistry in geological samples using laser-induced breakdown spectroscopy: Effects of compositional and textural outliers 利用激光诱导击穿光谱预测地质样品中的地球化学：成分和结构异常值的影响

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-28 DOI: 10.1016/j.sab.2025.107376

Jack D. Henry , Kirsten L. Siebach , M. Darby Dyar , Kate H. Lepore , Cai R. Ytsma

The chemistry of geologic targets on different planets is often determined from Laser-Induced Breakdown Spectroscopy (LIBS) data using multivariate, machine learning models calibrated on laboratory spectra from pressed pellets of ground rocks with known compositions. However, due to the diversity of geologic materials, LIBS may be used to predict the chemistry of targets that are distinct from a training dataset in their composition and form. For example, loose granular materials may introduce unknown spectral effects compared to solid rocks. We used a LIBS instrument to analyze mineral pellets and loose powders of olivine, labradorite, and augite in five grain size fractions ranging from <25 μm to 710–1000 μm. These minerals are compositional outliers relative to rocks, and powders are texturally distinct from pressed pellets. Outlier compositions adversely affected prediction accuracy in pellets and powders. Additionally, prediction accuracy was dramatically worse for powders <38 μm compared to either larger grain sizes (>63 μm) or pellets. Powders this fine coupled poorly to the laser and potentially had plasma confinement effects in deep, narrow ablation pits. Resulting spectra had low intensity atomic emissions and elevated noise when normalized. These outlying spectra introduce unexpected features in the model input, so the atomic relationships are not accurately interpreted and predictions trend towards what the model was scaled on, the mean of training data compositions. Despite best practices, quantification models for LIBS built on pellets of pressed rock powders cannot account for effects seen in loose fine powders.

不同行星上地质目标的化学成分通常由激光诱导击穿光谱（LIBS）数据确定，使用多元机器学习模型，根据已知成分的地面岩石压粒的实验室光谱校准。然而，由于地质材料的多样性，LIBS可以用来预测目标的化学性质，这些目标在组成和形式上与训练数据集不同。例如，与固体岩石相比，松散的颗粒状材料可能会引入未知的光谱效应。我们使用LIBS仪器分析了橄榄石、拉布拉多石和奥辉石的矿物颗粒和松散粉末，其粒度范围为25 μm至710-1000 μm。与岩石相比，这些矿物在成分上是异常值，粉末在质地上与压碎的颗粒不同。异常成分对颗粒和粉末的预测精度有不利影响。此外，与较大的颗粒尺寸（>63 μm）或颗粒相比，38 μm粉末的预测精度明显较差。这种细粉末与激光耦合较差，在深、窄的烧蚀坑中可能产生等离子体约束效应。所得到的光谱具有低强度原子发射和高噪声归一化后。这些离群光谱在模型输入中引入了意想不到的特征，因此不能准确地解释原子关系，并且预测倾向于模型的缩放，即训练数据组成的平均值。尽管有最佳实践，但建立在压石粉颗粒上的LIBS量化模型无法解释松散细粉中所见的效果。

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引用次数: 0

Effect of laser fluence on signal sustainability and quantitative performance of fiber-optic LIBS for steel samples 激光通量对钢样品光纤LIBS信号可持续性和定量性能的影响

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-24 DOI: 10.1016/j.sab.2025.107362

Sunita Ahlawat , Diksha Garg , Priya Tripathi , Rajesh Kumar Sahu , Soma Banik , Pravin S. Hedaoo , B. Prasad , Rashmi Singh , P.K. Mukhopadhyay , B.N. Upadhyaya

The steel plasma signal generated using fiber-optic LIBS, was found to continuously decrease when multiple low fluence laser pulses hit the sample at the same site, a behaviour not typically observed in free-space LIBS. Our findings suggest that the reason for such observations in FO-LIBS is the transformation of beam into top-hat like profile after propagating through the large core-diameter fiber required to handle the energetic ns laser pulses. At low fluence, only the surface oxides got ablated, resulting in a plasma, which could not sustain multiple shots due to removal of oxide layer by successive laser shots. Only after the fluence exceeded the base metal ablation threshold, a sustained plasma signal could be obtained. After achieving a stable signal, effect of further increase in fluence was evaluated using a hybrid Random Forest–ANN regression model for quantitative analysis of major, minor and trace level steel elements like Cr, Ni, Mo, Mn, Si, Cu, Co, C, P and S. At fluence level just above the threshold, the relative mean error (RME) of prediction was found to be between ∼1 % -10 % for all the elements, except for C (∼12 %) and S (16 %). The root mean square error (RMSE) values were between 0.0008 % - 0.286 % for all the elements. At further higher fluence, the quantitative performance was observed to slightly degrade, which may be due to the increased plasma density and the associated spectral complexities. Our results highlight that, in FO-LIBS, identifying the material-specific fluence range is important for achieving stable plasma signal and reliable quantitative performance.

使用光纤LIBS产生的钢等离子体信号发现，当多个低通量激光脉冲在同一位置撞击样品时，钢等离子体信号持续下降，这在自由空间LIBS中通常不会观察到。我们的研究结果表明，FO-LIBS中出现这种现象的原因是光束在通过处理高能ns激光脉冲所需的大芯径光纤传播后转变为顶帽状轮廓。在低通量下，只有表面氧化物被烧蚀，产生等离子体，由于连续激光射击去除氧化层，等离子体无法承受多次射击。只有当通量超过母材烧蚀阈值后，才能获得持续的等离子体信号。在获得稳定的信号后，使用混合随机森林-人工神经网络回归模型对进一步增加影响进行评估，用于定量分析Cr、Ni、Mo、Mn、Si、Cu、Co、C、P和S等主要、次要和痕量钢元素。在刚好高于阈值的影响水平上，除了C（~ 12%）和S（16%）外，预测的相对平均误差（RME）在所有元素的1% - 10%之间。各元素的均方根误差（RMSE）在0.0008% ~ 0.286%之间。在更高的通量下，观察到定量性能略有下降，这可能是由于等离子体密度增加和相关的光谱复杂性。我们的研究结果强调，在FO-LIBS中，确定物质特异性的影响范围对于获得稳定的等离子体信号和可靠的定量性能非常重要。

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引用次数: 0

Laser-Induced Breakdown Spectroscopy for direct analysis of pristine and environmentally aged microplastics: A PCA-based approach 激光诱导击穿光谱直接分析原始和环境老化微塑料：基于pca的方法

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-09 DOI: 10.1016/j.sab.2025.107353

Pavlína Modlitbová , Dominik Kočenda , Daniel Holub , Mark Starin , Janja Novak , Ula Putar , Gabriela Kalčíková , Lukas Brunnbauer , Andreas Limbeck , Pavel Pořízka , Jozef Kaiser

This study investigates the potential of Laser-Induced Breakdown Spectroscopy (LIBS) combined with Principal Component Analysis (PCA) for the differentiation and characterization of microplastics (MPs) in various stages of environmental aging. Three commonly encountered polymer types, polystyrene, polyethylene, and polyvinyl chloride, in the form of fragments were subjected to controlled aging under abiotic and biotic conditions for one and six weeks in the absence and presence of selected heavy metal ions (cadmium, chromium, and lead) to simulate environmentally relevant contamination. The LIBS-PCA approach effectively distinguishes between pristine and aged MPs and among different polymer types and aging scenarios. Biotic aging led to pronounced elemental changes which were further supported by parallel chlorophyll a measurements assessing the biofilm development. These findings highlight the applicability of LIBS-PCA as a rapid and informative tool for monitoring microplastic transformation in complex environmental settings.

本研究探讨了激光诱导击破光谱（LIBS）结合主成分分析（PCA）在环境老化不同阶段对微塑料（MPs）的鉴别和表征的潜力。三种常见的聚合物类型，聚苯乙烯，聚乙烯和聚氯乙烯，以碎片的形式，在没有和存在选定的重金属离子（镉，铬和铅）的情况下，在非生物和生物条件下进行1周和6周的控制老化，以模拟与环境相关的污染。LIBS-PCA方法有效地区分了原始和老化的MPs，以及不同的聚合物类型和老化情况。生物老化导致明显的元素变化，这进一步支持平行叶绿素a测量评估生物膜的发展。这些发现突出了LIBS-PCA作为复杂环境中监测微塑料转化的快速和信息工具的适用性。

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引用次数: 0

Outside Front Cover - Journal name, Cover image, Volume issue details, ISSN, Cover Date, Elsevier Logo and Society Logo if required 外部封面-期刊名称，封面图片，卷刊细节，ISSN，封面日期，爱思唯尔标志和学会标志（如果需要）

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-12-02 DOI: 10.1016/S0584-8547(25)00290-3

引用次数: 0

Spatially resolved studies of laser-induced plasma by a two-line fluorescence thermometry 用双线荧光测温法研究激光诱导等离子体的空间分辨

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-31 DOI: 10.1016/j.sab.2025.107381

Babken G. Beglaryan, Aleksandr S. Zakuskin, Andrey M. Popov, Timur A. Labutin

A laser-induced fluorescence (LIF) thermometry technique was developed for spatially resolved diagnostics of laser-induced plasma (LIP). The method adapts the two-line fluorescence approach by using two independent three-level excitation schemes of Ti I. Analysis of excitation–relaxation kinetics shows that, under typical experimental conditions, absorption and stimulated emission rates exceed spontaneous decay by several orders of magnitude, enabling rapid fluorescence saturation. An analytical expression was derived that relates the ratio of saturated fluorescence intensities from two schemes to the plasma temperature. Two Ti I schemes, a³P₂ → x³P°₁ → a³P₀ (Scheme A) and z⁵G°₅ → e⁵G₆ → z⁵F°₅ (Scheme B), were implemented, producing stable signals with substantial enhancement over spontaneous emission at 405.501 and 403.051 nm, respectively. Using these schemes, a two-dimensional temperature distribution of the central plasma cross-section was obtained with high spatial resolution. The temperature near the plasma axis (radius of 2 mm) was ≈4000 K, increasing to 6000–8000 K in the periphery, forming a pronounced radial gradient. The occurrence of this high-temperature zone coincides with regions influenced by shock-wave propagation, suggesting two possible mechanisms: direct shock-wave heating and the transport of excited particles with the wave front.

建立了用于激光诱导等离子体（LIP）空间分辨诊断的激光诱导荧光（LIF）测温技术。该方法采用两种独立的三能级激发方案，采用两线荧光法。激发-弛豫动力学分析表明，在典型的实验条件下，吸收和受激发射速率超过自发衰减数个数量级，实现了荧光快速饱和。导出了两种方案的饱和荧光强度与等离子体温度之比的解析表达式。采用了a3P2→x3P°1→a3P0（方案A）和z5G°5→e5G6→z5F°5（方案B）两种Ti I方案，分别在405.501和403.051 nm处产生稳定的信号，自发发射增强明显。利用这些格式，获得了高空间分辨率的等离子体中心截面的二维温度分布。等离子体轴（半径2 mm）附近温度≈4000 K，外围温度增加到6000 ~ 8000 K，形成明显的径向梯度。该高温区的出现与激波传播的影响区域一致，提示两种可能的机制：激波直接加热和激波前的激振粒子输运。

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引用次数: 0

Correlative imaging of large-scale geological samples using LIBS and SEM-EDX automated mineralogy 大型地质样品的LIBS和SEM-EDX自动矿物学相关成像

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-11-19 DOI: 10.1016/j.sab.2025.107397

Jakub Buday , Jakub Výravský , Jan Cempírek , David Prochazka , Pavel Pořízka , Jozef Kaiser

Elemental mapping of light (Li, Be, B, F) and trace elements in large-area geological samples represents an analytical challenge. Increased interest in Li and rare-element deposits results in the need for reliable mapping of light and trace elements. One of the possible solutions is laser-induced breakdown spectroscopy (LIBS) combined with sophisticated data processing. We studied four large-area (ca. 8⨯8 cm) samples from two rare-element Be-rich granitic pegmatites with moderate contents of Li + Be (Maršíkov, Czech Republic) and high contents of Li + Be+B (Rau property, Yukon, Canada). Cross-sections from the host rock to the geochemically evolved center of the pegmatite were used for direct multi-element mapping, assisted semi-automated machine-learning-based mineral identification, and tracing of magmatic, metasomatic and hydrothermal processes. From the obtained LIBS data, elemental images of individual elements of interest were produced (incl. Li and Be), and unsupervised clustering to the spectra was applied. This led to cluster images manifesting the distribution of individual matrices (i.e., minerals). The outputs of clustering were visually and statistically compared to a phase map produced by a state-of-the-art SEM-EDS-based Automated mineralogy solution (TIMA) and the results show good agreement. The study demonstrates a very good applicability of LIBS for the detection and mapping of major (Si, Al, Fe, Mg, Mn, Ca, Na), light elements (Li, Be, B, F), and trace elements (Ge, Ga, Cu, Ti, Sr, Ba) in pegmatites, discerning their specific geochemical signatures corresponding to magmatic, metasomatic, and hydrothermal stage of their evolution. The EDS-based automated mineralogy offers a higher spatial resolution in general. Still, it cannot map light elements (H, Li, Be, B) and has between one to three orders of magnitude worse detection limit for many other elements (e.g. Ga…).

大面积地质样品中的光（Li, Be， B， F）和微量元素的元素映射是分析的挑战。对锂和稀有元素矿床的兴趣增加，导致需要可靠的光和微量元素制图。一种可能的解决方案是激光诱导击穿光谱（LIBS）与复杂的数据处理相结合。我们研究了4个大面积（约8厘米）的样品，这些样品来自2个富含稀有元素Be的花岗质花岗晶岩，Li + Be含量中等（Maršíkov，捷克共和国），Li + Be+B含量高（Rau property，育空，加拿大）。利用从寄主岩到伟晶岩地球化学演化中心的剖面进行直接多元素填图，辅助半自动机器学习的矿物识别，并对岩浆、交代和热液过程进行示踪。根据获得的LIBS数据，生成感兴趣的单个元素（包括Li和Be）的元素图像，并对光谱进行无监督聚类。这导致了显示单个矩阵（即矿物）分布的聚类图像。聚类的输出在视觉上和统计上与最先进的基于sem - eds的自动化矿物学解决方案（TIMA）产生的相图进行了比较，结果显示出良好的一致性。研究表明，LIBS在伟晶岩中主要元素（Si、Al、Fe、Mg、Mn、Ca、Na）、轻元素（Li、Be、B、F）和微量元素（Ge、Ga、Cu、Ti、Sr、Ba）的探测和测图中具有很好的适用性，可识别出其岩浆、交代和热液演化阶段的特定地球化学特征。基于eds的自动化矿物学通常提供更高的空间分辨率。然而，它不能映射轻元素（H, Li, Be， B），并且对许多其他元素（例如Ga…）的检测限制差一到三个数量级。

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引用次数: 0

Determination of the time-evolved electron density and temperature during femtosecond laser filament grooving of silicon carbide ceramic matrix composite 碳化硅陶瓷基复合材料飞秒激光刻丝时电子密度和温度的测定

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-15 DOI: 10.1016/j.sab.2025.107359

Xianwang Li , Tie-Jun Wang , Chaopeng Yang , Xin Gao , Yaoxiang Liu , Yingxia Wei , Hao Qin , Xiangyu Zhang , Jinshan Yang , Zheyuan Hou , Shaoming Dong

The measurements of initial electron temperature and time-evolved electron density are of vital significance in phase change and material removal processes during femtosecond laser fabrication. In this work, two methods were employed to determine the temporal evolution of the electron temperature at different stages during laser filament grooving of the silicon carbide ceramic matrix composite (SiC CMC) by filament-induced breakdown spectroscopy (FIBS), and the time-evolved electron density was determined by the Stark shifting and broadening methods. The initial electron temperature was obtained by fitting the entire temperature evolution using the power-law model after converting the measured temperatures to instantaneous values. The results reveal that, during the early stage, the electron temperatures, derived from the continuum spectrum, undergo a rapid decrease. In contrast, temperature evolution during the later stage, using the Saha-Boltzmann method, shows a slow decay. By applying the power-law fitting and utilizing the measured temperatures, the obtained initial electron temperature was approximately 6.64 eV. The time-evolved electron density measured by the two methods shows consistent results in both magnitude and evolutionary trend. This study not only provides valuable insights into the electron dynamics during ultrafast processing, but also provides key instructions on precisely controlling ultrafast laser processing at the electron level.

在飞秒激光制造过程中，初始电子温度和随时间变化电子密度的测量对相变和材料去除过程具有重要意义。本文采用光纤诱导击穿光谱（FIBS）测定了碳化硅陶瓷基复合材料（SiC CMC）激光开槽过程中不同阶段的电子温度随时间的变化，并采用Stark位移法和展宽法测定了电子密度随时间的变化。将测量温度转换为瞬时值，利用幂律模型拟合整个温度演化过程，得到初始电子温度。结果表明，在初始阶段，由连续谱得出的电子温度急剧下降。与此相反，使用Saha-Boltzmann方法计算的后期温度演变显示出缓慢的衰减。通过幂律拟合并利用实测温度，得到的初始电子温度约为6.64 eV。两种方法测量的随时间变化的电子密度在大小和演化趋势上都显示出一致的结果。该研究不仅为超快加工过程中的电子动力学提供了有价值的见解，而且为在电子水平上精确控制超快激光加工提供了关键指导。

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引用次数: 0

High-sensitivity quantification of Tilletia foetida teliospores in wheat via immunomagnetic enrichment and gold nanoparticle-labeled ICP-MS immunoassay 免疫磁富集和金纳米颗粒标记ICP-MS免疫分析法对小麦tiltiltia foetida端孢子的高灵敏度定量分析

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-25 DOI: 10.1016/j.sab.2025.107374

Yufeng Li , Hanxu Ji , Jingjing Xu , Xiuming Mei , Xiaoxiao Wu , Yongli Ye , Miao Yang , Diyao Jiang , Yuwei Qiang , Lan Jiang , Jungui Zhou , Chi Zhang , Xiulan Sun

A novel method for detecting Tilletia foetida teliospores in wheat was developed by integrating inductively coupled plasma mass spectrometry (ICP-MS) with an elemental labeling strategy. On the basis of an immunological method, capture magnetic beads coupled with a polyclonal antibody probe (MBs-pAb) were constructed to specifically enrich and label T. foetida teliospores. A gold nanoparticle-labeled monoclonal antibody was then added to bind to MBs-pAb. After dissociation of the resulting complexes using citric acid, the ¹⁹⁷Au signal was detected by ICP-MS, allowing for the quantitative detection of T. foetida spores. Under optimal conditions, the method had a limit of detection of 50 teliospores/mL and a linear range of 200–50,000 teliospores/mL. This new approach, which enables the rapid and highly sensitive detection of teliospores within 2.5 h, was successfully applied to wheat samples. The method shows significant potential for analyzing and monitoring common bunt of wheat, offering a robust tool for agricultural diagnostics and disease management.

采用电感耦合等离子体质谱（ICP-MS）和元素标记相结合的方法，建立了小麦Tilletia foetida telio孢子的检测方法。在免疫学方法的基础上，构建了磁珠与多克隆抗体探针（MBs-pAb）偶联的捕获磁珠，特异富集和标记T. foetida远孢子。然后加入金纳米颗粒标记的单克隆抗体与MBs-pAb结合。用柠檬酸解离所得到的配合物后，用ICP-MS检测197Au信号，从而实现对T. foetida孢子的定量检测。在最佳条件下，该方法的检出限为50个/mL，线性范围为200 ~ 50,000个/mL。这种新方法能够在2.5 h内快速、高灵敏度地检测出端孢子，并成功地应用于小麦样品。该方法在分析和监测小麦常见病害方面显示出巨大的潜力，为农业诊断和病害管理提供了强有力的工具。

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引用次数: 0

Early screening of Alzheimer’s disease based on feces analysis using laser-induced breakdown spectroscopy 基于粪便分析的阿尔茨海默病早期筛查，激光诱导击穿光谱

IF 3.8 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part B: Atomic Spectroscopy

Pub Date : 2026-01-01 Epub Date: 2025-10-22 DOI: 10.1016/j.sab.2025.107372

Wei Cheng , Zhao Zhang , Xueqi Liu , Xiaodong Jin , Yaju Li , Qiang Zeng , Dongbin Qian , Fei Ye , Qiang Li

Alzheimer's disease (AD) poses an unprecedented global health challenge. It exhibits a protracted preclinical phase spanning nearly 20 years, during which early interventions can effectively extend the asymptomatic period, highlighting the critical importance of precision stratification and risk assessment strategies. Current biomarker-based approaches face significant limitations including invasive procedures, high costs, and lack of standardized risk stratification systems, necessitating the development of novel, cost-effective screening technologies for high-risk population identification. In this study, we developed and validated an innovative method using Laser-Induced Breakdown Spectroscopy (LIBS) for screening high-risk populations with preclinical AD characteristics. By analyzing the elemental distribution in feces from 20 AD mice (10 female and 10 male) and 20 age-matched normal mice from 4 to 51 weeks of age, we demonstrated that LIBS can capture subtle changes in metal concentrations associated with AD progression. Principal Component Analysis (PCA) reveals comprehensive alterations in elemental distribution patterns, while a Random Forest (RF) model achieves a classification accuracy exceeding 90 % in most stages. Shapley Additive Explanations (SHAP) analysis identifies Ca II 396.85 nm and Mg 279.55 nm as the most critical spectral features for accurate discrimination, both contributing 14 % to classification accuracy. These findings highlight the potential of LIBS-based fecal analysis as a non-invasive, rapid, and cost-effective tool for early AD screening. This study validated the feasibility of LIBS + machine learning (ML) for screening high-risk AD populations through animal experiments. Nevertheless, extensive studies and technological iterations on the novel LIBS+ML method are required to achieve clinical application standards.

阿尔茨海默病（AD）是一项前所未有的全球健康挑战。它表现出长达近20年的临床前阶段，在此期间早期干预可以有效延长无症状期，突出了精确分层和风险评估策略的重要性。目前基于生物标志物的方法面临着重大的局限性，包括侵入性手术、高成本和缺乏标准化的风险分层系统，因此需要开发新的、具有成本效益的筛查技术来识别高风险人群。在这项研究中，我们开发并验证了一种使用激光诱导击穿光谱（LIBS）筛选具有临床前AD特征的高危人群的创新方法。通过分析20只AD小鼠（10只雌性和10只雄性）和20只年龄匹配的正常小鼠（4至51周龄）粪便中的元素分布，我们证明了LIBS可以捕捉到与AD进展相关的金属浓度的细微变化。主成分分析（PCA）揭示了元素分布格局的全面变化，而随机森林（RF）模型在大多数阶段的分类精度超过90%。Shapley加性解释（SHAP）分析确定Ca II 396.85 nm和Mg 279.55 nm是准确区分的最关键光谱特征，两者都贡献了14%的分类精度。这些发现突出了粪便分析作为一种无创、快速、经济的早期AD筛查工具的潜力。本研究通过动物实验验证了LIBS +机器学习（ML）筛查AD高危人群的可行性。然而，为了达到临床应用标准，需要对新型LIBS+ML方法进行广泛的研究和技术迭代。

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