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Determination of the carcinogenic potential of lubricant base oil using near infrared spectroscopy and chemometrics

机译:使用近红外光谱和化学计量学测定润滑油基础油的致癌潜力

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摘要

In the present study, near-infrared (NIR) spectroscopy and chemometrics techniques have been combined to predict the carcinogenic potential of lubricant base oils. Principal component analysis was used to select the relevant wavelengths of the NIR spectra and principal component regression was employed to develop linear models to predict the total polyaromatic assay (IP 346) and the mutagenicity index (ASTM E1687/95) of lubricant oil samples. The good correlation between NIR normalised spectra (r = 0.995; RMSEP = 0.4%) and the total polyaromatic assay is discussed. It was concluded that the combination of both techniques could be used for the on-line determination of the carcinogenic potential of lubricant oils.
机译:在本研究中,近红外(NIR)光谱学和化学计量学技术已经结合在一起,预测了润滑油基础油的致癌潜力。使用主成分分析来选择NIR光谱的相关波长,并使用主成分回归来建立线性模型,以预测润滑油样品的总聚芳烃测定(IP 346)和诱变性指数(ASTM E1687 / 95)。讨论了近红外归一化光谱(r = 0.995; RMSEP = 0.4%)与总多芳烃分析之间的良好相关性。结论是,两种技术的组合可用于在线确定润滑油的致癌潜力。

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