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Chemometric Methods for the Simultaneous Spectrophotometric Determination of Caffeine, Theobromine and Theophylline in Tea
Corresponding Author(s) : A. Hakan Aktas
Asian Journal of Chemistry,
Vol. 25 No. 15 (2013): Vol 25 Issue 15
Abstract
In this study, the simultaneous determination of caffeine, theobromine and theophylline in tea samples by chemometric approaches using UV spectrophotometry has been reported as a simple alternative to using separate models for each component. Spectra of caffeine, theobromine and theophylline were recorded at several concentrations within their ranges and were used to compute the calibration mixture between wavelengths 200 and 305 nm at an interval of 1 nm was used for data acquisition. Partial least squares regression and artificial neural network were used for chemometric analysis of data and the parameters of the chemometric procedures were optimized. The analytical performances of these chemometric methods were characterized by predicted residual error sum of squares (PRESS), standard error of prediction (SEP) and recoveries (%) and were compared with each other. A series of synthetic solution containing different concentrations of caffeine, theobromine and theophylline were used to check the prediction ability of the partial least squares and artificial neural network. These two methods were successfully applied to real samples, with no interference from excipients as indicated by recovery study results. The results obtained in this investigation strongly encourage us to apply these techniques for a routine analysis and quality control of the teas.
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- L.L. Martinez, P.L.L. de-Alba, R.G. Campos and L.M.D.L. Rodriguez, Anal. Chim. Acta, 493, 83 (2003).
- Q.C. Chen, S.F. Mou, X.P. Hou and Z.M. Ni, Anal. Chim. Acta, 371, 287 (1998).
- C.S. Yang, P. Maliakal and X. Meng, Ann. Rev. Pharm. Toxicol., 42, 25 (2002).
- B. Stavric, Food Chem. Toxicol., 26, 645 (1998).
- Y.G. Campiglia, J.J. Laserna, A. Berthod and J.D. Winefordner, Anal. Chim. Acta, 244, 215 (1991).
- S.X. Candeias, E. Gallardo and A.C. Matos, Food Anal. Methods, 251, 256 (2007).
- Y.G. Zuo, H. Chen and Y.W. Deng, Talanta, 57, 307 (2002).
- H. Hideki, M. Toshihira and K. Katsunori, J. Chromatogr. A, 758, 332 (1997).
- L. Shufen, J. Berger and S. Hartland, Anal. Chim. Acta, 409, 412 (1990).
- D. Galeano, A Guiberteau, O. Burguillas and F. Salinas, Analyst, 122, 513 (1997).
- Y.N. Ni and X.F. Gong, Anal. Chim. Acta, 354, 163 (1997).
- D.I. Meras, M. Pena, E. Mansilla and F. Salinas, Analyst, 118, 807 (1993).
- O. Aksu, A. Bozdogan and G.K. Kunt, Anal. Lett., 31, 859 (1998).
- Y. Ni, G. Zhang and S. Kokot, Food Chem., 89, 465 (2005).
- A.L. Khanchi, M.K. Mahani, M. Hajihosseini, M.G. Maragheh, M. Chaloosi and F. Bani, Food Chem., 1062, 1068 (2007).
- T.S.T. Mansor, Y.B. Che Man and A. Rohman, Food Anal. Methods, 365, 372 (2011)
- A. Rohman and Y.B. Che Man, Food Anal. Methods, 155, 162 (2011).
- J. Zupan and J. Gastreiger, Neural Networks in Chemistry and Drug Design, VCH (1993).
- H. Wold, Research Papers in Statistics. Wiley, New York (1996).
- E. Dinç, D. Balenau, G. Ioele, M. De Luca and G. Ragno, J. Pharm. Biol. Anal., 48, 1471 (2008).
- M. De Luca, F. Oliveria, G. Ioele and G. Ragno, Chemometrics Intelligent Lab. Syst., 96, 14 (2009).
- P.J. Brown, J. Chemometrics, 151, 161 (1992).
- D.T. Rossi and H.L. Pardue, Anal. Chim. Acta, 153, 161 (1985).
References
L.L. Martinez, P.L.L. de-Alba, R.G. Campos and L.M.D.L. Rodriguez, Anal. Chim. Acta, 493, 83 (2003).
Q.C. Chen, S.F. Mou, X.P. Hou and Z.M. Ni, Anal. Chim. Acta, 371, 287 (1998).
C.S. Yang, P. Maliakal and X. Meng, Ann. Rev. Pharm. Toxicol., 42, 25 (2002).
B. Stavric, Food Chem. Toxicol., 26, 645 (1998).
Y.G. Campiglia, J.J. Laserna, A. Berthod and J.D. Winefordner, Anal. Chim. Acta, 244, 215 (1991).
S.X. Candeias, E. Gallardo and A.C. Matos, Food Anal. Methods, 251, 256 (2007).
Y.G. Zuo, H. Chen and Y.W. Deng, Talanta, 57, 307 (2002).
H. Hideki, M. Toshihira and K. Katsunori, J. Chromatogr. A, 758, 332 (1997).
L. Shufen, J. Berger and S. Hartland, Anal. Chim. Acta, 409, 412 (1990).
D. Galeano, A Guiberteau, O. Burguillas and F. Salinas, Analyst, 122, 513 (1997).
Y.N. Ni and X.F. Gong, Anal. Chim. Acta, 354, 163 (1997).
D.I. Meras, M. Pena, E. Mansilla and F. Salinas, Analyst, 118, 807 (1993).
O. Aksu, A. Bozdogan and G.K. Kunt, Anal. Lett., 31, 859 (1998).
Y. Ni, G. Zhang and S. Kokot, Food Chem., 89, 465 (2005).
A.L. Khanchi, M.K. Mahani, M. Hajihosseini, M.G. Maragheh, M. Chaloosi and F. Bani, Food Chem., 1062, 1068 (2007).
T.S.T. Mansor, Y.B. Che Man and A. Rohman, Food Anal. Methods, 365, 372 (2011)
A. Rohman and Y.B. Che Man, Food Anal. Methods, 155, 162 (2011).
J. Zupan and J. Gastreiger, Neural Networks in Chemistry and Drug Design, VCH (1993).
H. Wold, Research Papers in Statistics. Wiley, New York (1996).
E. Dinç, D. Balenau, G. Ioele, M. De Luca and G. Ragno, J. Pharm. Biol. Anal., 48, 1471 (2008).
M. De Luca, F. Oliveria, G. Ioele and G. Ragno, Chemometrics Intelligent Lab. Syst., 96, 14 (2009).
P.J. Brown, J. Chemometrics, 151, 161 (1992).
D.T. Rossi and H.L. Pardue, Anal. Chim. Acta, 153, 161 (1985).