title: Joint analyses model for total cholesterol and triglyceride in human serum with near-infrared spectroscopy.
abstract: 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.
authors.affiliation: Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, China.
authors.forename: Lijun
authors.initials: L
authors.lastname: Yao
authors.affiliation: Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, China.
authors.forename: Ning
authors.initials: N
authors.lastname: Lyu
authors.affiliation: Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, China. Electronic address: tchjm@jnu.edu.cn.
authors.forename: Jiemei
authors.initials: J
authors.lastname: Chen
authors.affiliation: Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, China. Electronic address: tpan@jnu.edu.cn.
authors.forename: Tao
authors.initials: T
authors.lastname: Pan
authors.affiliation: Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, China; South China Sea Fisheries Research Institute, Chinese Academy of Fishery Sciences, Guangzhou 510300, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Yu
mesh_terms: D002784:Cholesterol / Q000097:blood*; D006801:Humans; D006949:Hyperlipidemias / Q000097:blood; D016018:Least-Squares Analysis; D012680:Sensitivity and Specificity; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014280:Triglycerides / Q000097:blood*
chemical_list: D014280:Triglycerides; D002784:Cholesterol
keywords: Equidistant combination partial least squares; Hyperlipidemia; Joint analyses model; Near-infrared spectroscopy; Total cholesterol; Triglyceride