Analytical Sciences

Abstract − Analytical Sciences, 21(8), 979 (2005).

Improvement of the Partial Least Squares Model Performance for Oral Glucose Intake Experiments by Inside Mean Centering and Inside Multiplicative Signal Correction
Yi Ping DU,* Sumaporn KASEMSUMRAN,** Katsuhiko MARUO,*** Takehiro NAKAGAWA,*** and Yukihiro OZAKI**
*College of Chemical Engineering, Shandong University of Technology, Zibo 255049, P. R. China
**Department of Chemistry and Research Center for Near-Infrared Spectroscopy, School of Science and Technology, Kwansei-Gakuin University, Sanda 669-1337, Japan
***NBT Project, Matsushita Electric Works Ltd., Kadoma, Osaka 571-8686, Japan
Near infrared (NIR) spectroscopy has become a promising technique for the in vivo monitoring of glucose. Several capillary-rich locations in the body, such as the tongue, forearm, and finger, have been used to collect the in vivo spectra of blood glucose. For such an in vivo determination of blood glucose, collected NIR spectra often show some dependence on the measurement conditions and human body features at the location on which a probe touches. If NIR spectra collected for different oral glucose intake experiments, in which the skin of different patients and the measurement conditions may be quite different, are directly used, partial least squares (PLS) models built by using them would often show a large prediction error because of the differences in the skin of patients and the measurement conditions. In the present study, the NIR spectra in the range of 1300 - 1900 nm were measured by conveniently touching an optical fiber probe on the forearm skin with a system that was developed for in vivo measurements in our previous work.11,12 The spectra were calibrated to resolve the problem derived from the difference of patient skin and the measurement conditions by two proposed methods, inside mean centering and inside multiplicative signal correction (MSC). These two methods are different from the normal mean centering and normal multiplicative signal correction (MSC) that are usually performed to spectra in the calibration set, while inside mean centering and inside MSC are performed to the spectra in every oral glucose intake experiment. With this procedure, spectral variations resulted from the measurement conditions, and human body features will be reduced significantly. More than 3000 NIR spectra were collected during 68 oral glucose intake experiments, and calibrated. The development of PLS calibration models using the spectra show that the prediction errors can be greatly reduced. This is a potential chemometric technique with simplicity, rapidity and efficiency in the pretreatment of NIR spectra collected during oral glucose intake experiments.