Quantitative analysis of volatile organic compound using novel chemoselective response dye based on Vis-NIRS coupled Si-PLS

摘要

Quantitative analysis of volatile organic compounds (VOCs) using spectroscopy technology has invariably been a formidable problem. In this paper, chemoselective response dyes were employed as probes to capture VOCs, including a novel chemoselective response dye called BODIPY. The spectral data of distinct sensor color difference pattern due to the rapid chemical reaction between the dye molecule and organic compound molecule was collected by portable Visible-Near Infrared Spectroscopy (Vis-NIRS) equipment. Afterward, the synergy interval partial least squares (Si-PLS) algorithm was used to process spectral data and establish predictive models for pure VOCs in the mixture and actual samples with the high correlation coefficient of determination of the prediction set (Rp) value and the low root mean square error of prediction (RMSEP) value. This new method formed by a color-sensitive sensor made of chemoselective dye combined with Vis-NIRS technology not only achieves quantitative detection of VOCs but also address the limitations of spectrum technology in this field. Finally, we obtained the expected results, the average prediction rate of the concentration of the six pure VOCs counted as 107 +/- 20%, the average prediction rate of pure VOCs in the mixture counted as 101 +/- 12%. Meanwhile, the average prediction rate of VOCs in the actual samples counted as 108 +/- 31%, when this new method was applied to the detection of VOCs.