Histine, carbohydrates/polysaccharides, and proteins with β-sheet conformation as promising staging markers for oral squamous cell carcinoma

IF 4.3 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-08 DOI:10.1016/j.saa.2025.126296

Gabrielle Jimenez , Letícia Foiani , Julia Toledo Figueiredo , Mariana Sá Alves , Nayara Sá Rodrigues , Celso Muller Bandeira , Mônica Ghislaine Oliveira Alves , Janete Dias Almeida , Herculano da Silva Martinho

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引用次数: 0

Abstract

Cancers of the oral cavity and lip ranks 15

th

cancer mortality being oral squamous cell carcinoma (OSCC) the predominant malignant neoplasm in the head and neck region. Liquid optical biopsy using infrared absorption spectroscopy offers rapid and accurate diagnosis of several diseases, including oral cancer. Here we investigated saliva samples from patients with OSCC and healthy individuals using micro-reflectance Fourier-transform infrared absorption spectroscopy. Partial least squares discriminant (PLSDA) and support vector machine (SVM) analysis were employed to mining the set of data. SVM analysis validated the PLSDA findings and presented excellent results with sensitivity of 98.6%, specificity of 97.3%, and area under ROC curve of 0.965. Interestingly we found that bands assigned to histidine, carbohydrates/polysaccharides, and content of proteins with

β

-sheet conformation contributed to discrimination among groups. Moreover we found that specific changes in these bands could be related to OSCC staging being promising disease gravity markers.

查看原文本刊更多论文

组蛋白、碳水化合物/多糖和β-薄片构象蛋白作为口腔鳞状细胞癌有希望的分期标志物

口腔癌和唇部癌死亡率排名第15位，口腔鳞状细胞癌（OSCC）是头颈部的主要恶性肿瘤。液体光学活检采用红外吸收光谱提供快速和准确的诊断几种疾病，包括口腔癌。本研究采用微反射傅立叶变换红外吸收光谱法对OSCC患者和健康人的唾液样本进行了研究。采用偏最小二乘判别（PLSDA）和支持向量机（SVM）分析对数据集进行挖掘。支持向量机分析验证了PLSDA的结果，灵敏度为98.6%，特异度为97.3%，ROC曲线下面积为0.965。有趣的是，我们发现分配给组氨酸、碳水化合物/多糖和具有β-sheet构象的蛋白质含量的波段有助于群体之间的区分。此外，我们发现这些波段的特定变化可能与OSCC分期有关，这是有希望的疾病重力标记。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 物理-光谱学

CiteScore

8.40

自引率

11.40%

发文量

1364

审稿时长

40 days

期刊介绍： Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.