Rapid determination of caffeine content in soft drinks using FTIR-ATR spectroscopy

Manish M. Paradkar; Joseph Irudayaraj

doi:10.1016/S0308-8146(02)00116-4

Rapid determination of caffeine content in soft drinks using FTIR-ATR spectroscopy

Research output: Contribution to journal › Article › peer-review

Abstract

A simple and rapid Fourier Transform infrared (FTIR) spectroscopic method was developed to determine caffeine content in soft drinks without the use of organic solvents. FTIR spectrum of carbonated beverages were characterized and the region between 2800 and 3000 cm^-1 was used for quantitative estimation using partial least square (PLS) and principal component regression (PCR). FTIR spectroscopy with chemometrics, using the PLS-1st derivative spectra could predict the caffeine content accurately upto an R² value greater than 0.97 and a standard error of prediction (SEP) of less than 2.43 with 4-6 factors in the prediction model. The developed model was applied to predict caffeine content in four commercial carbonated beverages in approximately 5 min. The developed procedure was further validated by recovery studies by comparing with UV spectroscopic method.

Original language	English (US)
Pages (from-to)	261-266
Number of pages	6
Journal	Food chemistry
Volume	78
Issue number	2
DOIs	https://doi.org/10.1016/S0308-8146(02)00116-4
State	Published - 2002
Externally published	Yes

Keywords

Caffeine
Carbonated beverages
Chemometrics
FTIR spectroscopy

ASJC Scopus subject areas

Analytical Chemistry
Food Science

Online availability

10.1016/S0308-8146(02)00116-4

Library availability

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title = "Rapid determination of caffeine content in soft drinks using FTIR-ATR spectroscopy",

abstract = "A simple and rapid Fourier Transform infrared (FTIR) spectroscopic method was developed to determine caffeine content in soft drinks without the use of organic solvents. FTIR spectrum of carbonated beverages were characterized and the region between 2800 and 3000 cm-1 was used for quantitative estimation using partial least square (PLS) and principal component regression (PCR). FTIR spectroscopy with chemometrics, using the PLS-1st derivative spectra could predict the caffeine content accurately upto an R2 value greater than 0.97 and a standard error of prediction (SEP) of less than 2.43 with 4-6 factors in the prediction model. The developed model was applied to predict caffeine content in four commercial carbonated beverages in approximately 5 min. The developed procedure was further validated by recovery studies by comparing with UV spectroscopic method.",

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author = "Paradkar, {Manish M.} and Joseph Irudayaraj",

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volume = "78",

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T1 - Rapid determination of caffeine content in soft drinks using FTIR-ATR spectroscopy

AU - Paradkar, Manish M.

AU - Irudayaraj, Joseph

PY - 2002

Y1 - 2002

N2 - A simple and rapid Fourier Transform infrared (FTIR) spectroscopic method was developed to determine caffeine content in soft drinks without the use of organic solvents. FTIR spectrum of carbonated beverages were characterized and the region between 2800 and 3000 cm-1 was used for quantitative estimation using partial least square (PLS) and principal component regression (PCR). FTIR spectroscopy with chemometrics, using the PLS-1st derivative spectra could predict the caffeine content accurately upto an R2 value greater than 0.97 and a standard error of prediction (SEP) of less than 2.43 with 4-6 factors in the prediction model. The developed model was applied to predict caffeine content in four commercial carbonated beverages in approximately 5 min. The developed procedure was further validated by recovery studies by comparing with UV spectroscopic method.

AB - A simple and rapid Fourier Transform infrared (FTIR) spectroscopic method was developed to determine caffeine content in soft drinks without the use of organic solvents. FTIR spectrum of carbonated beverages were characterized and the region between 2800 and 3000 cm-1 was used for quantitative estimation using partial least square (PLS) and principal component regression (PCR). FTIR spectroscopy with chemometrics, using the PLS-1st derivative spectra could predict the caffeine content accurately upto an R2 value greater than 0.97 and a standard error of prediction (SEP) of less than 2.43 with 4-6 factors in the prediction model. The developed model was applied to predict caffeine content in four commercial carbonated beverages in approximately 5 min. The developed procedure was further validated by recovery studies by comparing with UV spectroscopic method.

KW - Caffeine

KW - Carbonated beverages

KW - Chemometrics

KW - FTIR spectroscopy

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Rapid determination of caffeine content in soft drinks using FTIR-ATR spectroscopy

Abstract

Keywords

ASJC Scopus subject areas

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