Quantitative Analysis Of Solutions Using A High Resolution Portable Raman Spectrometer

Raman is a well-developed spectroscopic tool for molecular identification and is widely accepted for qualitative analysis where it can provide rapid identification of materials, often at their point of use or delivery. Due to the high resolution that Raman can provide, it is also used for structural elucidation as well as quantitative analysis, (ref M.J. Pelletier Applied Spectroscopy 57, 20A-42A (2003).) A benefit of Raman over other molecular spectroscopic tools is that it can be used to measure aqueous solutions. In this study, we have used B&W Tek’s portable i-Raman® Plus and BWIQ® chemometric modeling software to develop a quantitative calibration model to determine the glucose, fructose and sucrose concentrations in a tertiary aqueous mixture.

 

BWIQ is a multivariate analysis software package for spectral data analysis and can be used explore the relationships between spectra and response data or spectra and sample classes. BWIQ combines traditional chemometric methods such as Partial Least Squares Regression (PLSR) and Principal Component Analysis (PCA), with new methods such as adaptive iteratively reweighted Penalized Least Squares (airPLS) and Support Vector Machine (SVM) algorithms.