A rapid FTIR spectroscopic method for estimation of caffeine in soft drinks and total methylxanthines in tea and coffee

M. M. Paradkar; J. Irudayaraj

doi:10.1111/j.1365-2621.2002.tb08767.x

A rapid FTIR spectroscopic method for estimation of caffeine in soft drinks and total methylxanthines in tea and coffee

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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)
Pages (from-to)	2507-2511
Number of pages	5
Journal	Journal of food science
Volume	67
Issue number	7
DOIs	https://doi.org/10.1111/j.1365-2621.2002.tb08767.x
State	Published - Sep 2002
Externally published	Yes

Keywords

Caffeine
Carbonated beverages
Chemometrics
Coffee
FTIR spectroscopy
Tea

ASJC Scopus subject areas

Food Science

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10.1111/j.1365-2621.2002.tb08767.x

Cite this

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title = "A rapid FTIR spectroscopic method for estimation of caffeine in soft drinks and total methylxanthines in tea and coffee",

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.",

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author = "Paradkar, {M. M.} and J. Irudayaraj",

year = "2002",

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language = "English (US)",

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journal = "Journal of Food Science",

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AU - Paradkar, M. M.

AU - Irudayaraj, J.

PY - 2002/9

Y1 - 2002/9

N2 - 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.

AB - 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.

KW - Caffeine

KW - Carbonated beverages

KW - Chemometrics

KW - Coffee

KW - FTIR spectroscopy

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A rapid FTIR spectroscopic method for estimation of caffeine in soft drinks and total methylxanthines in tea and coffee

Abstract

Keywords

ASJC Scopus subject areas

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