Quali-quantitative monitoring of chemocatalytic cellulose conversion into lactic acid by FT-NIR spectroscopy

Spectrochim Acta A Mol Biomol Spectrosc. 2021 Apr 5:250:119367. doi: 10.1016/j.saa.2020.119367. Epub 2021 Jan 2.

Abstract

Chemocatalytic conversion of cellulose into lactic acid is a valuable alternative to simple sugar fermentation. Nevertheless, the procedures still need optimization to be translated to the industrial scale. Such translation would benefit by on-line monitoring of reaction parameters by fast, inexpensive, direct spectroscopic techniques. In this work, we propose the application of FT-NIR spectroscopy as a suitable analytical tool for monitoring the chemocatalytic conversion of cellulose into lactic acid. Comparison between different FT-NIR spectra at different reaction temperatures and times was exploited to qualitatively indicate the feasibility of the reaction. Besides, an FT-NIR prediction model was proposed for rapidly estimating the molar distribution of cellulose catalytic degradation components in the reaction mixtures. The calibration model was based on reference samples analysed by HPLC. The model was validated by an external validation set. Relevant statistical values of Ratio Performance to Deviations (RPD) referred to both calibration and external validation were obtained, thus demonstrating the potential of such analytical technique in process monitoring.

Keywords: Cellulose; Lactic acid; Lewis acid catalyst; Monosaccharides; NIR spectroscopy.