Lu Qingqing, Li Lian, Liang Wenyan, Xu Guoning, Zhu Jing, Ma Xiaobo, Tian Weilu, Gao Lele, Tian Mengyin, Chen Zhongjian, Zang Hengchang
NMPA Key Laboratory for Technology Research and Evaluation of Drug Products, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, Jinan, Shandong, 250012, China.
NMPA Key Laboratory for Technology Research and Evaluation of Drug Products, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, Jinan, Shandong, 250012, China; Shandong Engineering Research Center for Transdermal Drug Delivery Systems, Jinan, Shandong, 250000, China.
Talanta. 2025 Apr 1;285:127399. doi: 10.1016/j.talanta.2024.127399. Epub 2024 Dec 16.
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.
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，约占病例的90%。筛查对于早期发现、诊断和治疗至关重要，从而降低ESCC死亡率。本研究旨在开发一种基于近红外（NIR）光谱结合水代谢组学的快速、准确且经济高效的ESCC筛查方法。从健康对照者和ESCC患者的血浆样本中获取NIR光谱。随后，利用主成分分析（PCA）和偏最小二乘判别分析（PLS-DA）来识别水基质坐标（WAMACS），从而描绘吸水光谱模式（WASP）并构建水代谢图。结果表明，PLS-DA筛查测试模型的准确率和精确率分别高达95.12%和97.10%，灵敏度和特异度分别为97.10%和84.62%。曲线下面积（AUC）达到0.9064。水代谢组学分析显示，健康组的WASP在指示强氢键的区域（1460nm、1480nm、1494nm）主要表现出强吸收，而ESCC组的WASP在与强氢键、弱氢键和自由水相关的区域表现出强吸收，尤其是弱氢键区域（1434nm）和自由水区域（1390nm）与健康组有显著差异。研究结果表明，将NIR光谱与水代谢组学相结合的ESCC快速筛查模型既有效又可行，WASP可作为ESCC筛查的潜在有价值生物标志物。
