Plasma-based near-infrared spectroscopy for early diagnosis of lung cancer

IF 3.1 3区 医学 Q2 CHEMISTRY, ANALYTICAL
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Abstract

Lung cancer (LC) continues to be a leading death cause in China, primarily due to late diagnosis. This study aimed to evaluate the effectiveness of using plasma-based near-infrared spectroscopy (NIRS) for LC early diagnosis. A total of 171 plasma samples were collected, including 73 healthy controls (HC), 73 LC, and 25 benign lung tumors (B). NIRS was utilized to measure the spectra of samples. Pre-processing methods, including centering and scaling, standard normal variate, multiplicative scatter correction, Savitzky-Golay smoothing, Savitzky-Golay first derivative, and baseline correction were applied. Subsequently, 4 machine learning (ML) algorithms, including partial least squares (PLS), support vector machines (SVM), gradient boosting machine, and random forest, were utilized to develop diagnostic models using train set data. Then, the predictive performance of each model was evaluated using test set samples. The study was conducted in 5 comparisons as follows: LC and HC, LC and B, B and HC, the diseased group (D) and HC, as well as LC, B and HC. Among the 5 comparisons, SVM consistently generated the best performance with a certain pre-processing method, achieving overall accuracy of 1.0 (kappa: 1.0) in the comparisons of LC and HC, B and HC, as well as D and HC. Pre-processing was identified as a crucial step in developing ML models. Interestingly, PLS demonstrated remarkable stability and relatively high predictive performance across the 5 comparisons, even though it did not achieve the top results like SVM. However, none of these algorithms were able to effectively distinguish B from LC. These findings indicate that the combination of plasma-based NIRS with ML algorithms is a rapid, non-invasive, effective, and economical method for LC early diagnosis.

基于等离子体的近红外光谱仪用于肺癌的早期诊断。
肺癌(LC)仍然是中国人的主要死因,这主要是由于诊断过晚造成的。本研究旨在评估使用基于血浆的近红外光谱仪(NIRS)进行肺癌早期诊断的有效性。研究共收集了 171 份血浆样本,其中包括 73 例健康对照(HC)、73 例 LC 和 25 例肺部良性肿瘤(B)。利用近红外光谱技术测量样本的光谱。预处理方法包括居中和缩放、标准正态变量、乘法散度校正、萨维茨基-戈莱平滑、萨维茨基-戈莱一阶导数和基线校正。随后,使用 4 种机器学习(ML)算法,包括偏最小二乘法(PLS)、支持向量机(SVM)、梯度提升机和随机森林,利用训练集数据开发诊断模型。然后,使用测试集样本对每个模型的预测性能进行评估。该研究进行了以下 5 项比较:LC 和 HC、LC 和 B、B 和 HC、患病组(D)和 HC 以及 LC、B 和 HC。在这 5 次比较中,SVM 在使用某种预处理方法后一直表现最佳,在 LC 和 HC、B 和 HC 以及 D 和 HC 的比较中总体准确率达到 1.0(kappa:1.0)。预处理被认为是开发 ML 模型的关键步骤。有趣的是,PLS 在 5 次比较中表现出了显著的稳定性和相对较高的预测性能,尽管它没有像 SVM 那样取得最好的结果。然而,这些算法都无法有效区分 B 和 LC。这些研究结果表明,基于血浆的近红外光谱与 ML 算法相结合是一种快速、无创、有效且经济的 LC 早期诊断方法。
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来源期刊
CiteScore
6.70
自引率
5.90%
发文量
588
审稿时长
37 days
期刊介绍: This journal is an international medium directed towards the needs of academic, clinical, government and industrial analysis by publishing original research reports and critical reviews on pharmaceutical and biomedical analysis. It covers the interdisciplinary aspects of analysis in the pharmaceutical, biomedical and clinical sciences, including developments in analytical methodology, instrumentation, computation and interpretation. Submissions on novel applications focusing on drug purity and stability studies, pharmacokinetics, therapeutic monitoring, metabolic profiling; drug-related aspects of analytical biochemistry and forensic toxicology; quality assurance in the pharmaceutical industry are also welcome. Studies from areas of well established and poorly selective methods, such as UV-VIS spectrophotometry (including derivative and multi-wavelength measurements), basic electroanalytical (potentiometric, polarographic and voltammetric) methods, fluorimetry, flow-injection analysis, etc. are accepted for publication in exceptional cases only, if a unique and substantial advantage over presently known systems is demonstrated. The same applies to the assay of simple drug formulations by any kind of methods and the determination of drugs in biological samples based merely on spiked samples. Drug purity/stability studies should contain information on the structure elucidation of the impurities/degradants.
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