A Rapid FTIR Spectroscopic Method for Estimation of Caffeine in Soft Drinks and Total Methylxanthines in Tea and Coffee
2002
Paradkar, M.M. | Irudayaraj, J.
A rapid Fourier Transform infrared (FTIR) spectroscopic method was developed to estimate caffeine in a variety of soft drinks and total methylxanthine content in tea and coffee using a single calibration model. FTIR spectrum of pure caffeine was characterized, and the 2 spectral regions of 1500 to 1800 cm(-1) and 2800 to 3000 cm(-1) were used for quantitative estimation using Partial least square (PLS) and principal component regression (PCR). FTIR spectroscopy with chemometrics using the PLS-First derivative spectra could predict the caffeine content accurately up to an R(2) value greater than 0.99 and a standard error of prediction (SEP) of less than 3.2 with 5 factors in the model.
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