Component Analysis of Complex Mixed Solution Based on Multidimensional Diffuse Reflectance Spectroscopy
LI Gang1, XIONG Chan1, ZHAO Li-ying1, LIN Ling1, TONG Ying2, ZHANG Bao-ju2*
1. State Key Laboratory of Precision Measurement Technology and Instruments, Tianjin University, Tianjin 300072, China 2. College of Physics and Electronic Information, Tianjin Normal University, Tianjin 300387, China
Abstract：In the present paper, the authors proposed a method for component analysis of complex mixed solutions based on multidimensional diffuse reflectance spectroscopy by analyzing the information carried by spectrum signals from various optical properties of various components of the analyte. The experiment instrument was designed with supercontinuum laser source, the motorized precision translation stage and the spectrometer. The Intralipid-20% was taken as an analyte, and was diluted over a range of 1%～20% in distilled water. The diffuse reflectance spectrum signal was measured at 24 points within the distance of 1.5～13 mm (at an interval of 0.5 mm) above the incidence point. The partial least squares algorithm model was used to perform a modeling and forecasting analysis for the spectral analysis data collected from single-point and multi-point. The results showed that the most accurate calibration model was created by the spectral data acquired from the nearest 1～13 points above the incident point; the most accurate prediction model was created by the spectral signal acquired from the nearest 1～7 points above the incident point. It was proved that multidimensional diffuse reflectance spectroscopy can improve the spectral signal to noise ratio. Compared with the traditional spectrum technology using a single optical property such as absorbance or reflectance, this method increased the impact of scattering characteristics of the analyte. So the use of a variety of optical properties of the analytes can make an improvement of the accuracy of the modeling and forecasting, and also provide a basis for component analysis of the complex mixed solution based on multidimensional diffuse reflectance spectroscopy.
Key words：Complex mixture;Multi-dimensional diffuse reflectance spectroscopy;Component analysis;Partial least squares regression
