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Joint analyses model for total cholesterol and triglyceride in human serum with near-infrared spectroscopy

文献类型： 外文期刊

作者： Yao, Lijun 1 ; Lyu, Ning 1 ; Chen, Jiemei 1 ; Pan, Tao 1 ; Yu, Jing 1 ;

作者机构： 1.Jinan Univ, Huangpu Rd West 601, Guangzhou 510632, Guangdong, Peoples R China

2.Chinese Acad Fishery Sci, South China Sea Fisheries Res Inst, Guangzhou 510300, Guangdong, Peoples R China

关键词： Hyperlipidemia;Total cholesterol;Triglyceride;Near-infrared spectroscopy;Equidistant combination partial least squares;Joint analyses model

期刊名称：SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY （ 影响因子：4.098； 五年影响因子：3.464 ）

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收录情况： SCI

摘要： The development of a small, dedicated near-infrared (NIR) spectrometer has promising potential applications, such as for joint analyses of total cholesterol (TC) and triglyceride (TG) in human serum for preventing and treating hyperlipidemia of a large population. The appropriate wavelength selection is a key technology for developing such a spectrometer. For this reason, a novel wavelength selection method, named the equidistant combination partial least squares (EC-PLS), was applied to the wavelength selection for the NIR analyses of TC and TG in human serum. A rigorous process based on the various divisions of calibration and prediction sets was performed to achieve modeling optimization with stability. By applying EC-PLS, a model set was developed, which consists of various models that were equivalent to the optimal model. The joint analyses model of the two indicators was further selected with only 50 wavelengths. The random validation samples excluded from the modeling process were used to validate the selected model. The root-mean-square errors, correlation coefficients and ratio of performance to deviation for the prediction were 0.197 mmol L-1, 0.985 and 5.6 for TC, and 0.101 mmol L-1, 0.992 and 8.0 for TG, respectively. The sensitivity and specificity for hyperlipidemia were 96.2% and 98.0%. These findings indicate high prediction accuracy and low model complexity. The proposed wavelength selection provided valuable references for the designing of a small, dedicated spectrometer for hyperlipidemia. The methodological framework and optimization algorithm are universal, such that they can be applied to other fields. (C) 2016 Elsevier B.V. All rights reserved.

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