Abstract
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 R2 value greater than 0.99 and a standard error of prediction (SEP) of less than 3.2 with 5 factors in the model.
Original language | English (US) |
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Pages (from-to) | 2507-2511 |
Number of pages | 5 |
Journal | Journal of food science |
Volume | 67 |
Issue number | 7 |
DOIs | |
State | Published - Sep 2002 |
Externally published | Yes |
Keywords
- Caffeine
- Carbonated beverages
- Chemometrics
- Coffee
- FTIR spectroscopy
- Tea
ASJC Scopus subject areas
- Food Science