基于激光诱导击穿光谱(LIBS)的跨仪器数据利用鉴定竹属植物。

IF 3.7 3区 医学 Q2 ENGINEERING, BIOMEDICAL
Yuge Liu, Qianqian Wang, Tianzhong Luo, Zhifang Zhao, Leifu Wang, Shuai Xu, Hao Zhou, Jiquan Zhao, Zixiao Zhou, Geer Teng
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引用次数: 0

摘要

药物分析和诊断的新技术和设备一直是临床用药和药物生产的关键。特别是在化学成分不完全清楚的中药领域,使用相同技术的跨设备分析和鉴定有时甚至会导致误判。竹属植物具有清热利尿、抗炎等作用,在临床应用中具有很大的潜力。然而,三种常用的物种在药理作用上不同,因此不应互换使用。我们提出了一种结合LIBS和随机森林的物种识别方法,并建立了跨设备平台的建模和验证方案。利用配备不同分辨率光谱仪的两套LIBS系统采集了3种阿克比亚的光谱。低分辨率光谱仪采集的数据用于模型训练,高分辨率光谱仪采集的数据用于测试。提出了一种光谱校正和特征选择(SCFS)方法,该方法首先使用标准灯对光谱数据进行校正,然后通过方差分析(ANOVA)进行特征选择,以确定最优的判别特征数量。当使用28个特征时,分类准确率最高,达到80.61%。最后,采用后处理(PP)策略,利用基于密度的带噪声应用空间聚类(DBSCAN)去除测试集中的异常光谱,最终分类准确率达到85.50%。这些结果表明,所提出的“SCFS-PP”框架有效地提高了跨仪器数据利用的可靠性,扩大了LIBS在中医领域的适用性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Cross-Instrument Data Utilization Based on Laser-Induced Breakdown Spectroscopy (LIBS) for the Identification of Akebia Species.

New technologies and equipment for medicine analysis and diagnostics have always been critical in clinical medication and pharmaceutical production. Especially in the field of traditional Chinese medicine (TCM) where the chemical composition is not fully clear, cross-device analysis and identification using the same technology can sometimes even lead to misjudgments. Akebia species, capable of inducing heat clearing, diuresis, and anti-inflammatory effects, show great potential in clinical applications. However, the three commonly used species differ in pharmacological effects and therefore should not be used interchangeably. We proposed a method combining LIBS with random forest for species identification and established a modeling and verification scheme across device platforms. Spectra of three Akebia species were collected using two LIBS systems equipped with spectrometers of different resolutions. The data acquired from the low-resolution spectrometer were used for model training, while the data from the high-resolution spectrometers were used for testing. A spectral correction and feature selection (SCFS) method was proposed, in which spectral data were first corrected using a standard lamp, followed by feature selection via analysis of variance (ANOVA) to determine the optimal number of discriminative features. The highest classification accuracy of 80.61% was achieved when 28 features were used. Finally, a post-processing (PP) strategy was applied, where abnormal spectra in the test set were removed using density-based spatial clustering of applications with noise (DBSCAN), resulting in a final classification accuracy of 85.50%. These results demonstrate that the proposed "SCFS-PP" framework effectively enhances the reliability of cross-instrument data utilization and expands the applicability of LIBS in the field of TCM.

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来源期刊
Bioengineering
Bioengineering Chemical Engineering-Bioengineering
CiteScore
4.00
自引率
8.70%
发文量
661
期刊介绍: Aims Bioengineering (ISSN 2306-5354) provides an advanced forum for the science and technology of bioengineering. It publishes original research papers, comprehensive reviews, communications and case reports. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. All aspects of bioengineering are welcomed from theoretical concepts to education and applications. There is no restriction on the length of the papers. The full experimental details must be provided so that the results can be reproduced. There are, in addition, four key features of this Journal: ● We are introducing a new concept in scientific and technical publications “The Translational Case Report in Bioengineering”. It is a descriptive explanatory analysis of a transformative or translational event. Understanding that the goal of bioengineering scholarship is to advance towards a transformative or clinical solution to an identified transformative/clinical need, the translational case report is used to explore causation in order to find underlying principles that may guide other similar transformative/translational undertakings. ● Manuscripts regarding research proposals and research ideas will be particularly welcomed. ● Electronic files and software regarding the full details of the calculation and experimental procedure, if unable to be published in a normal way, can be deposited as supplementary material. ● We also accept manuscripts communicating to a broader audience with regard to research projects financed with public funds. Scope ● Bionics and biological cybernetics: implantology; bio–abio interfaces ● Bioelectronics: wearable electronics; implantable electronics; “more than Moore” electronics; bioelectronics devices ● Bioprocess and biosystems engineering and applications: bioprocess design; biocatalysis; bioseparation and bioreactors; bioinformatics; bioenergy; etc. ● Biomolecular, cellular and tissue engineering and applications: tissue engineering; chromosome engineering; embryo engineering; cellular, molecular and synthetic biology; metabolic engineering; bio-nanotechnology; micro/nano technologies; genetic engineering; transgenic technology ● Biomedical engineering and applications: biomechatronics; biomedical electronics; biomechanics; biomaterials; biomimetics; biomedical diagnostics; biomedical therapy; biomedical devices; sensors and circuits; biomedical imaging and medical information systems; implants and regenerative medicine; neurotechnology; clinical engineering; rehabilitation engineering ● Biochemical engineering and applications: metabolic pathway engineering; modeling and simulation ● Translational bioengineering
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