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

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

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

Online availability

10.1111/j.1365-2621.2002.tb08767.x

Library availability

Discover UIUC Full Text

Cite this

@article{8b7578ee389d484fb948d2cbfcfa07d9,

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.",

keywords = "Caffeine, Carbonated beverages, Chemometrics, Coffee, FTIR spectroscopy, Tea",

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

year = "2002",

month = sep,

doi = "10.1111/j.1365-2621.2002.tb08767.x",

language = "English (US)",

volume = "67",

pages = "2507--2511",

journal = "Journal of food science",

issn = "0022-1147",

publisher = "Wiley-Blackwell",

number = "7",

}

TY - JOUR

T1 - A rapid FTIR spectroscopic method for estimation of caffeine in soft drinks and total methylxanthines in tea and coffee

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

KW - Tea

UR - http://www.scopus.com/inward/record.url?scp=0036753081&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0036753081&partnerID=8YFLogxK

U2 - 10.1111/j.1365-2621.2002.tb08767.x

DO - 10.1111/j.1365-2621.2002.tb08767.x

M3 - Article

AN - SCOPUS:0036753081

SN - 0022-1147

VL - 67

SP - 2507

EP - 2511

JO - Journal of food science

JF - Journal of food science

IS - 7

ER -

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

Online availability

Library availability

Related links

Fingerprint

Cite this