LIBS

LIBS
  • 文章类型: Journal Article
    皮肤肿瘤的相关成像为标准组织病理学检查提供了额外的信息。然而,在建立分析技术方面的共同进展,如激光诱导击穿光谱(LIBS)和激光烧蚀电感耦合等离子体质谱(LA-ICP-MS)在临床实践中仍受到限制。它们的组合提供了互补的信息,因为它也显示在我们的研究中主要的生物(Ca,Mg,和P)和痕量(Cu和Zn)元素。为了阐明肿瘤中元素组成的变化,我们整理了一组恶性肿瘤(鳞状细胞癌,基底细胞癌,恶性黑色素瘤,和上皮样血管肉瘤),一个良性肿瘤(色素痣)和一个健康皮肤样本。数据处理基于涉及二进制图像配准和仿射变换的方法管道。因此,我们的论文带来了一个实用的方法学概念的可行性研究,使我们能够比较LIBS和LA-ICP-MS的结果,尽管原始元素图像的相互空间失真。此外,我们还表明,根据分析的速度和重现性,即使对于大量样品,LIBS也可能是一种足够的预筛选方法.而LA-ICP-MS可以作为预选样品的基本事实和参考技术。
    Correlative imaging of cutaneous tumors provides additional information to the standard histopathologic examination. However, the joint progress in the establishment of analytical techniques, such as Laser-Induced Breakdown Spectroscopy (LIBS) and Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS) in clinical practice is still limited. Their combination provides complementary information as it is also shown in our study in terms of major biotic (Ca, Mg, and P) and trace (Cu and Zn) elements. To elucidate changes in the elemental composition in tumors, we have compiled a set of malignant tumors (Squamous Cell Carcinoma, Basal Cell Carcinoma, Malignant Melanoma, and Epithelioid Angiosarcoma), one benign tumor (Pigmented Nevus) and one healthy-skin sample. The data processing was based on a methodological pipeline involving binary image registration and affine transformation. Thus, our paper brings a feasibility study of a practical methodological concept that enables us to compare LIBS and LA-ICP-MS results despite the mutual spatial distortion of original elemental images. Moreover, we also show that LIBS could be a sufficient pre-screening method even for a larger number of samples according to the speed and reproducibility of the analyses. Whereas LA-ICP-MS could serve as a ground truth and reference technique for preselected samples.
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  • 文章类型: Journal Article
    食品的地理来源极大地影响了它们的质量和价格,导致市场上高价和低价区域之间的掺假。这种掺假的快速检测对于食品安全和公平竞争至关重要。为了检测不同地区黄精的掺假情况,我们提出了基于深度学习网络(LVDLNet)的LIBS-VNIR融合,它将包含元素信息的激光诱导击穿光谱(LIBS)与包含分子信息的可见和近红外光谱(VNIR)相结合。LVDLNet模型的准确率达到98.75%,宏观F测量为98.50%,宏精度为98.78%,宏观召回率为98.75%。模型,将这些指标从LIBS的约87%和VNIR的约93%提高到98%以上,识别能力显著提高。此外,对不同掺假源样本的测试证实了模型的稳健性,所有指标从LIBS的约87%和VNIR的86%提高到96%以上。与传统的机器学习算法相比,LVDLNet也展示了其优越的性能。结果表明,LVDLNet模型能有效整合元素信息和分子信息,对掺假黄精进行鉴别。这项工作表明,该方案是食品识别应用的有力工具。
    The geographical origin of foods greatly influences their quality and price, leading to adulteration between high-priced and low-priced regions in the market. The rapid detection of such adulteration is crucial for food safety and fair competition. To detect the adulteration of Polygonati Rhizoma from different regions, we proposed LIBS-VNIR fusion based on the deep learning network (LVDLNet), which combines laser-induced breakdown spectroscopy (LIBS) containing element information with visible and near-infrared spectroscopy (VNIR) containing molecular information. The LVDLNet model achieved accuracy of 98.75%, macro-F measure of 98.50%, macro-precision of 98.78%, and macro-recall of 98.75%. The model, which increased these metrics from about 87% for LIBS and about 93% for VNIR to more than 98%, significantly improved the identification ability. Furthermore, tests on different adulterated source samples confirmed the model\'s robustness, with all metrics improving from about 87% for LIBS and 86% for VNIR to above 96%. Compared to conventional machine learning algorithms, LVDLNet also demonstrated its superior performance. The results indicated that the LVDLNet model can effectively integrate element information and molecular information to identify the adulterated Polygonati Rhizoma. This work shows that the scheme is a potent tool for food identification applications.
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  • 文章类型: Journal Article
    拉合尔(巴基斯坦),作为一个工业城市,具有影响和污染空气质量的气溶胶的高排放。因此,气溶胶的消减/灭活对于限制其感染活动是必要的。在这个项目中,与介质阻挡放电等离子体(DBD等离子体)隔离的离子风已被用来减轻外科面罩和KN95呼吸器中捕获的气溶胶。为了推断环境气溶胶的化学和元素检测,已采用FTIR和LIBS。\"从结果来看,值得注意的是,离子风辐照已成功实现了气溶胶的减排,并凸显了DBD等离子体技术在去除气溶胶污染方面的潜力。\"
    Lahore (Pakistan), being an industrial city, has high emission of aerosols that affects and contaminates the air quality. Therefore, the abatement/inactivation of aerosols is necessary to restrict their infectious activities. In this project, ionic wind isolated from dielectric barrier discharge plasma (DBD plasma) has been utilized to abate the aerosols trapped in the Surgical Mask and KN95 Respirator. To infer the chemical and elemental detection of ambient aerosols, FTIR and LIBS have been employed. \"From the results, it is noteworthy that abatement/removal of aerosols has been successfully carried out by the ionic wind irradiation and highlights the potential of DBD plasma technology in removing the aerosols pollution.\"
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  • 文章类型: Journal Article
    有机和无机元素在生长中的作用,发展,植物的次生代谢产物合成至关重要,尤其是它们的药用价值。然而,针对这两个方面的全面研究很少。因此,本手稿旨在研究傅里叶变换红外光谱(FT-IR)和激光诱导击穿光谱(LIBS)技术的潜在用途,以获得来自两个不同地理区域的姜科重要药用植物的官能团以及有机和无机元素谱。甲醇提取物的FT-IR分析显示存在脂族和芳族醇,酯类,醚,羧基化合物,以及它们的衍生物。在LIBS分析中,观察到样品中存在的原子和分子种类的光谱特征,包括有机和无机元素。在样品的LIBS光谱中也观察到重金属和微量元素的存在。此外,偏最小二乘判别分析(PLS-DA)已用于基于光谱指纹获得样本的分类模式。这项研究不仅有助于反映微量营养素在辅助次生代谢中的重要性,从而增强植物的药用特性,而且还可以识别植物中的微量元素。这有助于确定特定植物成分的合适用法和剂量,有助于建立药理学和营养学意义的研究目标。这项研究势在必行,因为它填补了研究的关键空白,尽管在这个方向上进一步的工作是必要的。
    The role of organic and inorganic elemental profiles in the growth, development, and secondary metabolite synthesis of plants is crucial, particularly concerning their medicinal value. However, comprehensive studies addressing both aspects are scarce. Hence, the present manuscript aims to investigate the potential use of Fourier transform infrared spectroscopy (FT-IR) and laser-induced breakdown spectroscopy (LIBS) techniques to obtain the functional groups and organic and inorganic elemental profiles of significant medicinal plants belonging to the Zingiberaceae family collected from two different geographic regions in India. The FT-IR analysis of the methanolic extracts shows the presence of aliphatic and aromatic alcohols, esters, ethers, carboxyl compounds, and their derivatives. In LIBS analysis, the spectral characteristics of atomic and molecular species present in the samples were observed, encompassing both organic and inorganic elements. The presence of heavy metals and trace elements have also been observed in the LIBS spectra of the samples. Furthermore, partial least squares discriminant analysis (PLS-DA) has been used to obtain classification pattern of the samples based on their spectral fingerprints. This study not only helps in reflecting the significance of micronutrients in aiding secondary metabolism thus enhancing the medicinal properties of plants, but also enables the identification of trace elements within plants. This facilitates the determination of the suitable usage and dosage of particular plant components, contributing to the research goal of establishing pharmacological and nutraceutical significance. This study is imperative as it fills a critical gap in research, although further work in this direction is warranted.
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  • 文章类型: Journal Article
    石斛,一种高效的中草药,不同品种之间的功效和价格差异显著。因此,实现石斛的有效分类至关重要。然而,现有的大多数石斛识别方法难以同时实现无损性和高效率,使其具有挑战性,以真正满足工业生产的需求。在这项研究中,我们将激光诱导击穿光谱(LIBS)与多变量模型相结合,对石斛的10个品种进行分类。每个石斛品种的LIBS光谱数据从三个圆形药块收集。在数据分析阶段,多变量模型对不同石斛品种进行分类首先利用高斯滤波和叠加相关系数特征选择对LIBS光谱数据进行预处理。随后,利用构建的融合模型进行分类。结果表明,10个石斛品种的分类准确率达到100%。与支持向量机(SVM)相比,随机森林(RF),和K-最近邻居(KNN),我们的方法将分类精度提高了14%,20%,20%,分别。此外,它优于三个模型(SVM,射频,和KNN)增加了10%的主成分分析(PCA),10%,和17%。这充分验证了我们的分类方法的优异性能。最后,基于t分布随机邻域嵌入(t-SNE)技术对整个研究过程进行可视化分析,进一步提高了模型的可解释性。这项研究,通过结合LIBS和机器学习技术,实现石斛的高效分类,为石斛乃至中草药的鉴别提供了可行的解决方案。
    Dendrobium, a highly effective traditional Chinese medicinal herb, exhibits significant variations in efficacy and price among different varieties. Therefore, achieving an efficient classification of Dendrobium is crucial. However, most of the existing identification methods for Dendrobium make it difficult to simultaneously achieve both non-destructiveness and high efficiency, making it challenging to truly meet the needs of industrial production. In this study, we combined Laser-Induced Breakdown Spectroscopy (LIBS) with multivariate models to classify 10 varieties of Dendrobium. LIBS spectral data for each Dendrobium variety were collected from three circular medicinal blocks. During the data analysis phase, multivariate models to classify different Dendrobium varieties first preprocess the LIBS spectral data using Gaussian filtering and stacked correlation coefficient feature selection. Subsequently, the constructed fusion model is utilized for classification. The results demonstrate that the classification accuracy of 10 Dendrobium varieties reached 100%. Compared to Support Vector Machine (SVM), Random Forest (RF), and K-Nearest Neighbors (KNN), our method improved classification accuracy by 14%, 20%, and 20%, respectively. Additionally, it outperforms three models (SVM, RF, and KNN) with added Principal Component Analysis (PCA) by 10%, 10%, and 17%. This fully validates the excellent performance of our classification method. Finally, visualization analysis of the entire research process based on t-distributed Stochastic Neighbor Embedding (t-SNE) technology further enhances the interpretability of the model. This study, by combining LIBS and machine learning technologies, achieves efficient classification of Dendrobium, providing a feasible solution for the identification of Dendrobium and even traditional Chinese medicinal herbs.
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  • 文章类型: Journal Article
    估算抗压强度的微观和非破坏性方法可用于诊断增强结构的退化。波在混凝土中传播的速度可以使用传统的非破坏性方法来测量;但是,波的传播路径根据粗骨料的分布而变化,导致不同测量点的速度变化。为了解决这个问题,在这项研究中,开发了一种基于激光诱导击穿光谱(LIBS)和多变量分析的方法,用于无损地估计混凝土的抗压强度,确保粗骨料空间分布不受影响。该方法基于光谱的发射强度与待测量物体的硬度之间的相关性。主成分分析(PCA)和偏最小二乘回归(PLSR)提取砂浆光谱,它决定了混凝土的抗压强度,来自骨料和砂浆光谱的混合物。根据所提出的方法估算的抗压强度与从抗压强度试验获得的值一致。这表明了使用多变量分析来估计混凝土抗压强度的可能性。此外,所提出的方法可以通过简单的实验设置进行现场测量,并且对偏最小二乘回归提供的光谱噪声不敏感。
    Micro- and non-destructive methods of estimating compressive strength are useful for diagnosing the degradation of reinforced structures. The velocity of waves propagating through concrete can be measured using conventional non-destructive methods; however, the propagation path of waves varies depending on the distribution of coarse aggregate, resulting in variations in velocity at different measurement points. To address this issue, a method based on laser-induced breakdown spectroscopy and multivariate analysis was developed in this study for estimating the compressive strength of concrete non-destructively, ensuring the non-influence of the coarse aggregate spatial distribution. The method is based on the correlation between the emission intensity of the spectrum and the hardness of the object to be measured. Principal component analysis and partial least squares regression (PLSR) were used to extract the mortar spectrum, which determines the compressive strength of concrete, from a mixture of aggregate and mortar spectra. The compressive strength estimated based on the proposed method was consistent with the values obtained from the compressive strength test, which indicates the possibility of using multivariable analysis to estimate the compressive strength of concrete. Furthermore, the proposed method enabled on-site measurements through a simple experimental setup and insensitivity to spectral noise offered by PLSR.
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  • 文章类型: Journal Article
    背景:塑料固体废物(PSW)分类是塑料废物机械回收过程中最重要的程序。依赖于塑料的物理性质的技术的主要限制是用于分析的时间和差的准确性。由于其原子和分子表征能力,光谱学已被证明是塑料分选的合适方法,以及在很短的时间范围内给出结果的能力。然而,对于实际应用,将此技术转化为自动技术至关重要,通过将其与先进的化学计量学工具相结合,可以给予观察者独立的判断。
    结果:自主开发的双模型激光诱导击穿光谱(LIBS)-拉曼系统具有单个源和单个检测器,可以在20毫秒的总时间范围内以单次发射模式记录LIBS-拉曼光谱信号。在主成分分析(PCA)和偏最小二乘(PLS)与Logistic回归(LR)的组合中,线性判别分析(LDA),支持向量机(SVM)和基于偏最小二乘判别分析(PLS-DA)的分类器,基于PLS-DA的模型显示出最大的分类精度,基于LIBS数据为95%,基于拉曼数据为100%。使用4倍交叉验证评估模型的可靠性,该验证显示基于LIBS数据的预测灵敏度为90.28%,特异性为98.29%。和99%的灵敏度和99.82%的特异性的预测依赖于拉曼数据。
    结论:结果表明,多峰光谱与化学计量学分析的结合如何增强了光谱技术在塑料分选中的适用性。该分类模型基于组合的LIBS和拉曼数据成功地对7种消费后塑料样品进行了分类。有了自动预测的自制软件,该系统需要不到一秒钟的时间来预测塑料类型,说明该方法转化为常规工业应用的潜力。
    BACKGROUND: Plastic Solid Waste (PSW) sorting is a procedure of paramount importance in the mechanical recycling process of plastics waste. The major limitation of the techniques relying on physical properties of plastics is the time taken for analysis and poor accuracy. Spectroscopy has been shown to be a suitable method in plastic sorting due to its atomic and molecular characterization capabilities, and ability to give results in very short time scales. However, for practical applications it is essential to translate this technique into an automatic technology, by combining it with advanced chemometric tools which can give observer independent judgement.
    RESULTS: The indigenously developed bi-model Laser Induced Breakdown Spectroscopy (LIBS)-Raman system with single source and single detector can record the LIBS-Raman spectral signals in single-shot mode in a total time frame of 20 ms. Out of the combinations of Principal Component Analysis (PCA) and Partial Least Squares (PLS) with Logistic Regression (LR), Linear Discriminant Analysis (LDA), Support Vector Machine (SVM), and Partial Least Squares-Discriminant Analysis (PLS-DA) based classifiers, the PLS-DA based model showed the maximum classification accuracy with 95 % based on LIBS data and 100 % based on Raman data. The reliability of the model was assessed using 4-fold cross-validation which showed a sensitivity of 90.28 % and specificity of 98.29 % for predictions based on LIBS data, and 99 % sensitivity and 99.82 % specificity for predictions relying on Raman data.
    CONCLUSIONS: The results show how the combination of multimodal spectroscopy with chemometric analysis enhances the applicability of spectroscopic techniques for plastic sorting. The classification model successfully classified seven types of post-consumer plastic samples based on combined LIBS and Raman data. With the home-built software for automated prediction, the system takes less than a second to predict the plastic type illustrating the potential of the method for translation to regular routine industrial applications.
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  • 文章类型: Journal Article
    本研究探讨了使用激光诱导击穿光谱(LIBS)在镁锂(MgLi)合金中进行原位锂(Li)分析的可行性。它集中在两个Li发射线:LiI670.8nm(共振)和LiI610.4nm(非共振)。比较大气压和低压下的特性,在大气压下,在两个发射线中都观察到自反转信号,使分析复杂化。注意到使用激光能量和检测窗口调整来抑制自反转效应的挑战。为了解决这个问题,开发了具有可调压力(使用便携式真空泵)的紧凑型腔室(80mm×50mm×50mm)。降低压力会显著降低自反转效应,特别是对于LiI610.4nm线。这使得LiI610.4nm更适合分析MgLi合金中的高锂浓度。使用标准样品,如LA91(8%Li)和LA141(14%Li),该研究成功地获得了LiI610.4nm光谱,其Li发射强度成比例。即使使用商业上负担得起的时间集成电荷耦合器件(CCD)检测系统,结果表明这种方法在MgLi合金中的原位Li分析的有效性。
    This study explores the feasibility of in situ Lithium (Li) analysis in Magnesium-Lithium (MgLi) alloys using Laser-Induced Breakdown Spectroscopy (LIBS). It focuses on two Li emission lines: Li I 670.8 nm (resonance) and Li I 610.4 nm (non-resonance). Comparing characteristics at atmospheric and low pressures, self-reversal signatures are observed in both emission lines at atmospheric pressure, complicating the analysis. Challenges in suppressing self-reversal effect using laser energy and detection window adjustments are noted. To address this, a compact chamber (80 mm×50 mm×50 mm) with adjustable pressure (using a portable vacuum pump) is developed. Lowering the pressure significantly reduces self-reversal effect, particularly for the Li I 610.4 nm line. This makes Li I 610.4 nm more suitable for analyzing high Lithium concentrations in MgLi alloys. Using standard samples, such as LA91 (8 % Li) and LA141 (14 % Li), the study successfully obtains Li I 610.4 nm spectra with proportional Li emission intensities. Even with a commercially affordable time-integrated charge-coupled device (CCD) detection system, the results indicate the efficacy of this approach for in situ Li analysis in MgLi alloys.
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  • 文章类型: Journal Article
    这项工作研究了通过添加3D地形测量技术来增强集成到太空探索探测器中的紧凑型激光光谱仪的功能。激光光谱可以对样品成分进行原位分析,帮助了解外星天体的地质历史。为了补充光谱数据,包括3D成像被提议提供前所未有的上下文信息。形态信息有助于材料表征,从而限制了岩石和矿物历史。将高度信息分配给横向像素会创建地形,它提供了比上下文2D成像更完整的空间数据集。为了帮助将3D测量集成到基于火星车的激光光谱仪的未来提案中,相关的科学,漫游者,并概述了样本约束。讨论了候选的3D技术,和性能估计,体重,和功耗在三个应用示例中指导下选过程。从不同的角度讨论了技术选择。在线显微条纹投影轮廓术,非相干数字全息,和多波长数字全息被发现是进一步发展的有希望的候选人。
    This work studies enhancing the capabilities of compact laser spectroscopes integrated into space-exploration rovers by adding 3D topography measurement techniques. Laser spectroscopy enables the in situ analysis of sample composition, aiding in the understanding of the geological history of extraterrestrial bodies. To complement spectroscopic data, the inclusion of 3D imaging is proposed to provide unprecedented contextual information. The morphological information aids material characterization and hence the constraining of rock and mineral histories. Assigning height information to lateral pixels creates topographies, which offer a more complete spatial dataset than contextual 2D imaging. To aid the integration of 3D measurement into future proposals for rover-based laser spectrometers, the relevant scientific, rover, and sample constraints are outlined. The candidate 3D technologies are discussed, and estimates of performance, weight, and power consumptions guide the down-selection process in three application examples. Technology choice is discussed from different perspectives. Inline microscopic fringe-projection profilometry, incoherent digital holography, and multiwavelength digital holography are found to be promising candidates for further development.
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  • 文章类型: Journal Article
    废物管理和经济以各种方式交织在一起。采用可持续的废物管理技术可以促进经济增长和资源保护。基于人工智能(AI)的分类对于电子废物(电子废物)管理中金属的快速和非接触式分类至关重要。在目前的研究工作中,五种铝合金,由于它们在结构上的广泛使用,电子工业中的电气和热技术功能,被带走了。激光诱导击穿光谱(LIBS),光谱识别技术,与人工智能的机器学习(ML)分类模型结合使用。主成分分析(PCA),无监督ML分类器,被发现无法区分合金的LIBS数据。然后在随机选择的80%上训练受监督的ML分类器(用于10倍交叉验证),并在每种合金的20%光谱数据上测试以评估每种合金的分类能力。在大多数测试的K最近邻(kNN)变体中,所得精度低于30%,但与随机子空间方法结合的kNN显示出提高的精度高达98%。这项研究表明,基于AI的LIBS系统可以在非非接触式模式下对电子废物合金进行相当有效的分类,并且可能与机器人系统连接。因此,尽量减少体力劳动。
    Waste management and the economy are intertwined in various ways. Adopting sustainable waste management techniques can contribute to economic growth and resource conservation. Artificial intelligence (AI)-based classification is very crucial for rapid and contactless classification of metals in electronic waste (e-waste) management. In the present research work, five types of aluminium alloys, because of their extensive use in structural, electrical and thermotechnical functions in the electronics industry, were taken. Laser-induced breakdown spectroscopy (LIBS), a spectral identifier technique, was employed in conjunction with machine learning (ML) classification models of AI. Principal component analysis (PCA), an unsupervised ML classifier, was found incapable to differentiate LIBS data of alloys. Supervised ML classifier was then trained (for 10-fold cross-validation) on randomly selected 80% and tested on 20% spectral data of each alloy to assess classification capacity of each. In most of the tested variants of K nearest neighbour (kNN) the resulting accuracy was lower than 30% but kNN ensembled with random subspace method showed improved accuracy up to 98%. This study revealed that an AI-based LIBS system can classify e-waste alloys rather effectively in a non-contactless mode and could potentially be connected with robotic systems, hence, minimizing manual labour.
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