Rapid screening of esophageal squamous cell carcinoma by near-infrared spectroscopy combined with aquaphotomics.

IF 5.6 1区 化学 Q1 CHEMISTRY, ANALYTICAL
Talanta Pub Date : 2025-04-01 Epub Date: 2024-12-16 DOI:10.1016/j.talanta.2024.127399
Qingqing Lu, Lian Li, Wenyan Liang, Guoning Xu, Jing Zhu, Xiaobo Ma, Weilu Tian, Lele Gao, Mengyin Tian, Zhongjian Chen, Hengchang Zang
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Abstract

Esophageal cancer (EC), the fifth most common cause of cancer-related mortality in China, poses a significant threat to public health. Among the pathological types, esophageal squamous cell carcinoma (ESCC) is predominant, comprising approximately 90 % of cases. Screening is crucial for early detection, diagnosis and treatment, thereby reducing ESCC mortality. This study aimed to develop a rapid, accurate, and cost-effective method based on near-infrared (NIR) spectroscopy combined with aquaphotomics for ESCC screening. NIR spectra were obtained from plasma samples of both healthy controls and ESCC patients. Subsequently, principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were utilized to identify the water matrix coordinates (WAMACS), thereby delineating the water absorption spectrum pattern (WASP) and constructing an aquagram. The results showed that the PLS-DA screening test model demonstrated high accuracy and precision rates of 95.12 % and 97.10 %, respectively, along with sensitivity and specificity rates of 97.10 % and 84.62 %. The area under the curve (AUC) achieved 0.9064. Aquaphotomic analysis revealed that the WASP of the healthy group predominantly exhibited strong absorption in regions indicative of strong hydrogen bonds (1460 nm, 1480 nm, 1494 nm), while the WASP of the ESCC group showed strong absorption in regions associated with strong hydrogen bonds, weak hydrogen bonds and free water, especially the regions of weak hydrogen bonds (1434 nm) and free water (1390 nm) were significantly different from those of the healthy group. The findings indicated that the rapid screening model for ESCC, integrating NIR spectroscopy with aquaphotomics, is both effective and feasible, with the WASP presenting as a potentially valuable biomarker for ESCC screening.

近红外光谱联合水光术快速筛查食管鳞状细胞癌。
食管癌(EC)是中国癌症相关死亡的第五大常见原因,对公众健康构成重大威胁。在病理类型中,食管鳞状细胞癌(ESCC)占主导地位,约占90%的病例。筛查对于早期发现、诊断和治疗至关重要,从而降低ESCC的死亡率。本研究旨在建立一种基于近红外(NIR)光谱与水光组学相结合的快速、准确、经济的ESCC筛选方法。从健康对照和ESCC患者的血浆样本中获得近红外光谱。随后,利用主成分分析(PCA)和偏最小二乘判别分析(PLS-DA)识别水分矩阵坐标(WAMACS),从而描绘出水分吸收谱图(WASP),并构建了水格图。结果表明,PLS-DA筛选试验模型的准确率和精密度分别为95.12%和97.10%,敏感性和特异性分别为97.10%和84.62%。曲线下面积(AUC)达到0.9064。水相分析显示,健康组的WASP主要在强氢键区域(1460 nm、1480 nm、1494 nm)表现出强吸收,而ESCC组的WASP在强氢键、弱氢键和自由水相关区域表现出强吸收,尤其是弱氢键区域(1434 nm)和自由水区域(1390 nm)与健康组有显著差异。研究结果表明,结合近红外光谱和水光组学的ESCC快速筛选模型是有效可行的,WASP是一种潜在的有价值的ESCC筛选生物标志物。
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来源期刊
Talanta
Talanta 化学-分析化学
CiteScore
12.30
自引率
4.90%
发文量
861
审稿时长
29 days
期刊介绍: Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome. Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.
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