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衰减全反射-傅里叶变换红外(ATR-FTIR)光谱分析唾液作为诊断标本,用于使用化学计量学方法快速分类口腔鳞状细胞癌。

Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) Spectroscopy Analysis of Saliva as a Diagnostic Specimen for Rapid Classification of Oral Squamous Cell Carcinoma Using Chemometrics Methods.

机构信息

Student Research Committee, Dental Branch, Islamic Azad University of Medical Sciences, Tehran, Iran.

Department of Oral Medicine, School of Dentistry, Tehran University of Medical Sciences, Tehran, Iran.

出版信息

Cancer Invest. 2024 Nov;42(10):815-826. doi: 10.1080/07357907.2024.2403086. Epub 2024 Oct 1.

Abstract

BACKGROUND & AIM: Recent advancements in analytical techniques have highlighted the potential of Attenuated Total Reflection-Fourier Transform Infrared (ATR-FTIR) spectroscopy as a quick, cost-effective, non-invasive, and efficient tool for cancer diagnosis. This study aims to evaluate the effectiveness of ATR-FTIR spectroscopy in combination with supervised machine learning classification models for diagnosing OSCC using saliva samples.

METHODS & MATERIALS: Eighty unstimulated whole saliva samples from OSCC patients and healthy controls were collected. The ATR-FTIR spectroscopy was performed and spectral data were used to classify healthy and OSCC groups. The data were analyzed using machine learning classification methods such as Partial Least Squares-Discriminant Analysis (PLS-DA) and Support Vector Machine Classification (SVM-C). The classification performance of the models was evaluated by computing sensitivity, specificity, precision, and accuracy.

RESULTS

The samples were classified into two classes based on their spectral data. The obtained results demonstrate a high level of accuracy in the prediction sets of the PLS-DA and SVM-C models, with accuracy values of 0.960 and 0.962, respectively. The OSCC group sensitivity values for both PLS-DA and SVM-C models was 1.00, respectively.

CONCLUSION

The study indicates that ATR-FTIR spectroscopy, combined with chemometrics, is a potential method for the non-invasive diagnosis of OSCC using saliva samples. This method achieved high accuracy and the findings of this study suggest that ATR-FTIR spectroscopy could be further developed for clinical applications in OSCC diagnosis.

摘要

背景与目的

分析技术的最新进展凸显了衰减全反射傅里叶变换红外(ATR-FTIR)光谱学作为一种快速、经济高效、非侵入性和有效的癌症诊断工具的潜力。本研究旨在评估 ATR-FTIR 光谱学结合有监督机器学习分类模型在使用唾液样本诊断口腔鳞状细胞癌(OSCC)方面的有效性。

方法与材料

收集了 80 名 OSCC 患者和健康对照者的未刺激全唾液样本。进行 ATR-FTIR 光谱学检测,并使用光谱数据对健康组和 OSCC 组进行分类。使用偏最小二乘判别分析(PLS-DA)和支持向量机分类(SVM-C)等机器学习分类方法对数据进行分析。通过计算灵敏度、特异性、精度和准确性来评估模型的分类性能。

结果

根据光谱数据将样本分为两类。获得的结果表明,PLS-DA 和 SVM-C 模型的预测集具有很高的准确性,准确性值分别为 0.960 和 0.962。两种模型的 OSCC 组敏感性值均为 1.00。

结论

该研究表明,ATR-FTIR 光谱学结合化学计量学是一种使用唾液样本进行非侵入性诊断 OSCC 的潜在方法。该方法达到了很高的准确性,本研究的结果表明 ATR-FTIR 光谱学可进一步开发用于 OSCC 诊断的临床应用。

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