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Year 2015, Volume: 36 Issue: 3, 1600 - 1608, 13.05.2015

Abstract

References

  • Table 2c. Added and determined results of synthetic mixtures of cooper and zinc using OSC-PLS model (µg/ mL).
  • The optimum number of factors (NF) to be included in the calibration model was determined
  • by computing the prediction error sum of squares (PRESS) for cross-validated models using a
  • high number of factors. The optimum number of factors obtained by PLS, OSC-PLS and
  • PARAFAC models and PRESS values are summarized in Table 2.
  • Determination of uranium and thorium in real matrix samples
  • In order to test the applicability and matrix interferences of the proposed method to the
  • analysis of real samples, the method was applied in a variety of situations. For this purpose,
  • spiked samples were analyzed. The best model for the system were obtained with PARAFAC at pH=8.
  • Tanble 3. OSC-PLS and PARAFAC results applied on the real matrix samples (µg/ mL). 4. CONCLUSIONS
  • The cooper and zinc mixture is a complex system due to its high spectral overlapping
  • between the absorption spectra of their individual component. However, a simple, easy and
  • inexpensive methods such as PLS,OSC-PLS and PARAFAC in a very short time was applied to
  • overcome this problem. Finally it can be concluded that the model developed by the PARAFAC
  • method has more prediction ability especially for real samples with respect to PLS or OSC-PLS
  • methods, which clearly reveals that the tolerance limit of three-way calibration methods for
  • matrix effect is higher than of the two-way methods.
  • L. Morales, M.I. Toral, Simultaneous determination of Cu (II) and Ag (I) on SP sephadex C25 as complexes with 1-phenyl-1, 2-propanedione- 2-oximethiosemicarbazone by derivative spectrophotometry, copper, silver, Journal of AOAC International 90 (6) (2007) 1695-1700.
  • H.U. Qiufen , G. Yang, Y. Zhao, J. Yin, Determination of copper, nickel, cobalt, silver, lead, cadmium, and mercury ions in water by solid-phase extraction and the RP-HPLC with UV-Vis detection, Analytical and Bioanalytical Chemistry 375 (2000) 831-835.
  • A.S. Luna, R.E. Sturgeon, R.C. Campos, Chemical vapor generation: atomic absorption by Ag, Au, Cu, and Zn following reduction of aquo ions with sodium tetrahydroborate(III), Anal. Chem. 72 (15) (2000)3523-3531.
  • J.G.S. Gupta, J.L. Bouvier, Direct determination of traces of Ag, Cd, Pb, Bi, Cr, Mn, Co, Ni, Li, Be, Cu and Sb in environmental waters and geological materials by simultaneous multi-element graphite furnace atomic absorption spectrometry with Zeeman-effect background correction, Talanta. 42 (1995) 269-281.
  • B. Wen, X.Q. Shan, R.X. Liu, H.X. Tang, Preconcentration of trace elements (silver, copper, lead, cadium) in sea water with poly (acrylaminophosphonic-dithiocarbamate) chelating fiber for their determination by inductively coupled plasma mass spectrometry 363 (1998) 251-255.
  • L. Moens, P. Verrept, R. Dams, U. Greb, G. Jung, B. Laser, Application of inductively coupled plasma mass spectrometry to the certification of reference materials from the Community Bureau of Reference., J. Anal. 9(1994) 1075-1078.
  • R.E. Shepherd, in the Separation of Transition Metal Complexes or Their Ligands., Coord. Chem. Rev. 247 (2003) 147.
  • A.E. Visser, S.T. Griffin, D.H. Hartman, R.D. Rogers, "Naphthol- and resorcinol-based azo dyes as metal ion complexants in aqueous biphasic systems", J. Chromatogr. B 743 (2000) 107.
  • L. Evans III, G.E. Collins, Separation of uranium (VI) and transition metal ions ... resorcinol by capillary electrophoresis, J. Chromatogr. A 911 (2001) 127.
  • M. Wang, J.-M. Lin, F. Qu, X. Shan, Z. Chen, On-capillary complexation of metal ions with 4-(2-thiazolylazo)resorcinol in capillary electrophoresis., J. Chromatogr. A 1029 (2004) 249.
  • Niazi, Application of Bi-linear and Three-linear Chemometrics Methods to Quantitative Analysis and Equilibria Study, Ph.D. Thesis, Razi University, 2005.
  • C.A. Andersson, R. Bro, The N-way toolbox for MATLAB., Chemom. Intell. Lab. Syst.,52, 1 (2000).
  • R. Bro, Review on multiway analysis in chemistry—2000-2005., Crit. Rev. Anal. Chem.,36, 279 (2006).
  • Niazi, J. Ghasemi, J.; A. Yazdanipour, PARAFAC decomposition of three-way kinetic- spectrophotometric spectral matrices based on phosphomolybdenum blue complex chemistry for nitrite determination in water and meat samples., Anal. Lett.,38, 2377 (2005).
  • Niazi, M. Sadeghi, PARAFAC and PLS applied to spectrophotometric determination of tetracycline in pharmaceutical formulation and biological fluids., Chem. Pharm. Bull.,54, 711 (2006).
  • D. Gimenez, L. Sarabia, M.C. Ortiz, The maintenance of a PARAFAC calibration and the second-order property: application to the determination of ciprofloxacin in presence of enrofloxacin by excitation-emission fluorescence., Anal. Chim. Acta,544, 327 (2005).
  • Garcia, L.A. Sarabia, M.C. Ortiz, Anal. Chim. Acta,501, 193 (2004).
  • J.M.D. Cueva, A.V. Rossi, R.J. Poppi, Chemom. Intell. Lab. Syst., 55, 125 (2001).
  • J.C.G. Esteves da Silva, C.J.S. Oliverira, Parafac decomposition of three-way kinetic- spectrophotometric spectral matrices corresponding to mixtures of heavy metal ions, Talanta, 49, 889 (1999).
  • H. Martens, T. Naes, Multivariate Calibration, John Wiley, Chichester, 1989.
  • Gabrielsson, J. Trygg, Recent developments in multivariate calibration, Crit. Rev. Anal. Chem., 36, 243 (2006).
  • Ghasemi, A. Niazi, Spectrophotometric simultaneous determination of nitroaniline., Talanta, 65, 1168 (2005).
  • Niazi, Spectrophotometric simultaneous determination of uranium and thorium using partial LEAST SQUARE, J. Braz. Chem. Soc.,17, 1020 (2006).
  • Niazi, Simultaneous spectrophotometric determination of Fe-II and Fe-III in phar maceuticals by partial least squares with chromogenic mixed reagents,Croatica Chim. Acta, 79, 573 (2006).
  • V. Kaur, A.K. Malik, N. Verma, Simultaneous spectrophotometric determination of ... partial least square regression in micellar media, Annali di Chimica, 97, 237 (2007).
  • P.M. Santos, B. Sandrino, T.F. Moreira, K. Wohnrath, N. Nagata, C.A. Pessoa, Isoterma de V-A para a monocamada do complexo Rupic em subfase.., J. Braz. Chem. Soc.,18, 93 (2007).
  • Wold, S.; Antii, H.; Lindgren, F.; Ohman, Orthogonal signal correction of near-infrared spectra, J.; Chemom. Intell. Lab. Syst.1998,44, 175.
  • Sjoblom, J.; Svensson, O.; Josefson, M.; Kullberg, H.; Wold, S.; An evaluation of orthogonal signal correction applied to…, Chemom. Intell. Lab. Syst.1998,44, 229.
  • Andersson, C. A. Direct orthogonalization; Chemom. Intell. Lab. Syst.1999,47,51.
  • Wise, B. M.; Gallagher, N.B.; http://www.eigenvector.com/ MATLAB/OSC.html
  • Fearn, T.;Chemom. Intell. Lab. Syst.2000,50, 47.
  • Pierna, J. A. F.; Massart, D. L.; Noord, O. E.; Ricoux, P.;Chemom. Intell. Lab. Syst.2001,55, 101.
  • Westerhuis, J. A.; Jong, S.; Smilde, A. K.; Chemom. Intell. Lab. Syst.2001,56, 13.
  • Wold, S.; Trygg, J.; Berglund, A.; Antii, H.; Some recent developments in PLS modelingChemom. Intell. Lab. Syst. 2001,58, 131.
  • Ghasemi, J.; Saaidpour, S.; Ensafi, A. Simultaneous kinetic spectrophotometric determination of periodate and iodate based on their reaction with pyrogallol red in acidic media by chemometrics methods, ;Anal. Chim. Acta 2004,508, 119.
  • Ghasemi, J.; Niazi, A, Spectrophotometric simultaneous determination of nitroaniline isomers by orthogonal signal correction-partial least squares. .;Talanta 2005,65, 1168

Simultaneous spectrophotometric determination of Zinc and Copper with 4-(2-thiazolylazo) resorcinol using parallel factor analysis (PARAFAC), partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS).

Year 2015, Volume: 36 Issue: 3, 1600 - 1608, 13.05.2015

Abstract

Abstract. An Ultraviolet Spectrophotometry method utilizing 4-(2-thiazolylazo)resorcinol (TAR) was developed to simultaneous determination of Zn(II) and Cu(II) using parallel factor analysis (PARAFAC) and partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS). TAR was chosen as the visible absorbing chelating ligand because of its ability to form stable complexes with a wide variety of metals. The work was carried out in pH range from 5.0 to 10.0 and wavelength range was from 200 to 500 nm. Multivariate calibration models using PLS, OSC-PLS and PARAFAC at different pH were elaborated for ultraviolet spectra deconvolution and metals quantitation. The calibration set was constructed with standard solutions in a concentration range of 2.0-20.0 ppm. The best model for the system were obtained with PARAFAC at pH=8 and. The capabilities of the method for the analysis of real samples were evaluated by determination of Zn(II) and Cu(II) in waste water. The accuracy of method, evaluated through the root mean square error of prediction (RMSEP), were 0.021 and 0.017 for Zn and Cu, respectively. This procedure allows the simultaneous determination of Cu(II) and Zn(II) with TAR in synthetic and real samples and good reliability of determination was proved.

References

  • Table 2c. Added and determined results of synthetic mixtures of cooper and zinc using OSC-PLS model (µg/ mL).
  • The optimum number of factors (NF) to be included in the calibration model was determined
  • by computing the prediction error sum of squares (PRESS) for cross-validated models using a
  • high number of factors. The optimum number of factors obtained by PLS, OSC-PLS and
  • PARAFAC models and PRESS values are summarized in Table 2.
  • Determination of uranium and thorium in real matrix samples
  • In order to test the applicability and matrix interferences of the proposed method to the
  • analysis of real samples, the method was applied in a variety of situations. For this purpose,
  • spiked samples were analyzed. The best model for the system were obtained with PARAFAC at pH=8.
  • Tanble 3. OSC-PLS and PARAFAC results applied on the real matrix samples (µg/ mL). 4. CONCLUSIONS
  • The cooper and zinc mixture is a complex system due to its high spectral overlapping
  • between the absorption spectra of their individual component. However, a simple, easy and
  • inexpensive methods such as PLS,OSC-PLS and PARAFAC in a very short time was applied to
  • overcome this problem. Finally it can be concluded that the model developed by the PARAFAC
  • method has more prediction ability especially for real samples with respect to PLS or OSC-PLS
  • methods, which clearly reveals that the tolerance limit of three-way calibration methods for
  • matrix effect is higher than of the two-way methods.
  • L. Morales, M.I. Toral, Simultaneous determination of Cu (II) and Ag (I) on SP sephadex C25 as complexes with 1-phenyl-1, 2-propanedione- 2-oximethiosemicarbazone by derivative spectrophotometry, copper, silver, Journal of AOAC International 90 (6) (2007) 1695-1700.
  • H.U. Qiufen , G. Yang, Y. Zhao, J. Yin, Determination of copper, nickel, cobalt, silver, lead, cadmium, and mercury ions in water by solid-phase extraction and the RP-HPLC with UV-Vis detection, Analytical and Bioanalytical Chemistry 375 (2000) 831-835.
  • A.S. Luna, R.E. Sturgeon, R.C. Campos, Chemical vapor generation: atomic absorption by Ag, Au, Cu, and Zn following reduction of aquo ions with sodium tetrahydroborate(III), Anal. Chem. 72 (15) (2000)3523-3531.
  • J.G.S. Gupta, J.L. Bouvier, Direct determination of traces of Ag, Cd, Pb, Bi, Cr, Mn, Co, Ni, Li, Be, Cu and Sb in environmental waters and geological materials by simultaneous multi-element graphite furnace atomic absorption spectrometry with Zeeman-effect background correction, Talanta. 42 (1995) 269-281.
  • B. Wen, X.Q. Shan, R.X. Liu, H.X. Tang, Preconcentration of trace elements (silver, copper, lead, cadium) in sea water with poly (acrylaminophosphonic-dithiocarbamate) chelating fiber for their determination by inductively coupled plasma mass spectrometry 363 (1998) 251-255.
  • L. Moens, P. Verrept, R. Dams, U. Greb, G. Jung, B. Laser, Application of inductively coupled plasma mass spectrometry to the certification of reference materials from the Community Bureau of Reference., J. Anal. 9(1994) 1075-1078.
  • R.E. Shepherd, in the Separation of Transition Metal Complexes or Their Ligands., Coord. Chem. Rev. 247 (2003) 147.
  • A.E. Visser, S.T. Griffin, D.H. Hartman, R.D. Rogers, "Naphthol- and resorcinol-based azo dyes as metal ion complexants in aqueous biphasic systems", J. Chromatogr. B 743 (2000) 107.
  • L. Evans III, G.E. Collins, Separation of uranium (VI) and transition metal ions ... resorcinol by capillary electrophoresis, J. Chromatogr. A 911 (2001) 127.
  • M. Wang, J.-M. Lin, F. Qu, X. Shan, Z. Chen, On-capillary complexation of metal ions with 4-(2-thiazolylazo)resorcinol in capillary electrophoresis., J. Chromatogr. A 1029 (2004) 249.
  • Niazi, Application of Bi-linear and Three-linear Chemometrics Methods to Quantitative Analysis and Equilibria Study, Ph.D. Thesis, Razi University, 2005.
  • C.A. Andersson, R. Bro, The N-way toolbox for MATLAB., Chemom. Intell. Lab. Syst.,52, 1 (2000).
  • R. Bro, Review on multiway analysis in chemistry—2000-2005., Crit. Rev. Anal. Chem.,36, 279 (2006).
  • Niazi, J. Ghasemi, J.; A. Yazdanipour, PARAFAC decomposition of three-way kinetic- spectrophotometric spectral matrices based on phosphomolybdenum blue complex chemistry for nitrite determination in water and meat samples., Anal. Lett.,38, 2377 (2005).
  • Niazi, M. Sadeghi, PARAFAC and PLS applied to spectrophotometric determination of tetracycline in pharmaceutical formulation and biological fluids., Chem. Pharm. Bull.,54, 711 (2006).
  • D. Gimenez, L. Sarabia, M.C. Ortiz, The maintenance of a PARAFAC calibration and the second-order property: application to the determination of ciprofloxacin in presence of enrofloxacin by excitation-emission fluorescence., Anal. Chim. Acta,544, 327 (2005).
  • Garcia, L.A. Sarabia, M.C. Ortiz, Anal. Chim. Acta,501, 193 (2004).
  • J.M.D. Cueva, A.V. Rossi, R.J. Poppi, Chemom. Intell. Lab. Syst., 55, 125 (2001).
  • J.C.G. Esteves da Silva, C.J.S. Oliverira, Parafac decomposition of three-way kinetic- spectrophotometric spectral matrices corresponding to mixtures of heavy metal ions, Talanta, 49, 889 (1999).
  • H. Martens, T. Naes, Multivariate Calibration, John Wiley, Chichester, 1989.
  • Gabrielsson, J. Trygg, Recent developments in multivariate calibration, Crit. Rev. Anal. Chem., 36, 243 (2006).
  • Ghasemi, A. Niazi, Spectrophotometric simultaneous determination of nitroaniline., Talanta, 65, 1168 (2005).
  • Niazi, Spectrophotometric simultaneous determination of uranium and thorium using partial LEAST SQUARE, J. Braz. Chem. Soc.,17, 1020 (2006).
  • Niazi, Simultaneous spectrophotometric determination of Fe-II and Fe-III in phar maceuticals by partial least squares with chromogenic mixed reagents,Croatica Chim. Acta, 79, 573 (2006).
  • V. Kaur, A.K. Malik, N. Verma, Simultaneous spectrophotometric determination of ... partial least square regression in micellar media, Annali di Chimica, 97, 237 (2007).
  • P.M. Santos, B. Sandrino, T.F. Moreira, K. Wohnrath, N. Nagata, C.A. Pessoa, Isoterma de V-A para a monocamada do complexo Rupic em subfase.., J. Braz. Chem. Soc.,18, 93 (2007).
  • Wold, S.; Antii, H.; Lindgren, F.; Ohman, Orthogonal signal correction of near-infrared spectra, J.; Chemom. Intell. Lab. Syst.1998,44, 175.
  • Sjoblom, J.; Svensson, O.; Josefson, M.; Kullberg, H.; Wold, S.; An evaluation of orthogonal signal correction applied to…, Chemom. Intell. Lab. Syst.1998,44, 229.
  • Andersson, C. A. Direct orthogonalization; Chemom. Intell. Lab. Syst.1999,47,51.
  • Wise, B. M.; Gallagher, N.B.; http://www.eigenvector.com/ MATLAB/OSC.html
  • Fearn, T.;Chemom. Intell. Lab. Syst.2000,50, 47.
  • Pierna, J. A. F.; Massart, D. L.; Noord, O. E.; Ricoux, P.;Chemom. Intell. Lab. Syst.2001,55, 101.
  • Westerhuis, J. A.; Jong, S.; Smilde, A. K.; Chemom. Intell. Lab. Syst.2001,56, 13.
  • Wold, S.; Trygg, J.; Berglund, A.; Antii, H.; Some recent developments in PLS modelingChemom. Intell. Lab. Syst. 2001,58, 131.
  • Ghasemi, J.; Saaidpour, S.; Ensafi, A. Simultaneous kinetic spectrophotometric determination of periodate and iodate based on their reaction with pyrogallol red in acidic media by chemometrics methods, ;Anal. Chim. Acta 2004,508, 119.
  • Ghasemi, J.; Niazi, A, Spectrophotometric simultaneous determination of nitroaniline isomers by orthogonal signal correction-partial least squares. .;Talanta 2005,65, 1168
There are 53 citations in total.

Details

Journal Section Special
Authors

Ali Niazi

Mahdi Rahmani This is me

Marzieh Habibi This is me

Publication Date May 13, 2015
Published in Issue Year 2015 Volume: 36 Issue: 3

Cite

APA Niazi, A., Rahmani, M., & Habibi, M. (2015). Simultaneous spectrophotometric determination of Zinc and Copper with 4-(2-thiazolylazo) resorcinol using parallel factor analysis (PARAFAC), partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS). Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi, 36(3), 1600-1608.
AMA Niazi A, Rahmani M, Habibi M. Simultaneous spectrophotometric determination of Zinc and Copper with 4-(2-thiazolylazo) resorcinol using parallel factor analysis (PARAFAC), partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS). Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi. May 2015;36(3):1600-1608.
Chicago Niazi, Ali, Mahdi Rahmani, and Marzieh Habibi. “ Partial Least Squares (PLS) and Orthogonal Signal Correction- Partial Least Squares (OSC-PLS)”. Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi 36, no. 3 (May 2015): 1600-1608.
EndNote Niazi A, Rahmani M, Habibi M (May 1, 2015) Simultaneous spectrophotometric determination of Zinc and Copper with 4-(2-thiazolylazo) resorcinol using parallel factor analysis (PARAFAC), partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS). Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi 36 3 1600–1608.
IEEE A. Niazi, M. Rahmani, and M. Habibi, “ partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS)”., Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi, vol. 36, no. 3, pp. 1600–1608, 2015.
ISNAD Niazi, Ali et al. “ Partial Least Squares (PLS) and Orthogonal Signal Correction- Partial Least Squares (OSC-PLS)”. Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi 36/3 (May 2015), 1600-1608.
JAMA Niazi A, Rahmani M, Habibi M. Simultaneous spectrophotometric determination of Zinc and Copper with 4-(2-thiazolylazo) resorcinol using parallel factor analysis (PARAFAC), partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS). Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi. 2015;36:1600–1608.
MLA Niazi, Ali et al. “ Partial Least Squares (PLS) and Orthogonal Signal Correction- Partial Least Squares (OSC-PLS)”. Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi, vol. 36, no. 3, 2015, pp. 1600-8.
Vancouver Niazi A, Rahmani M, Habibi M. Simultaneous spectrophotometric determination of Zinc and Copper with 4-(2-thiazolylazo) resorcinol using parallel factor analysis (PARAFAC), partial least squares (PLS) and orthogonal signal correction- partial least squares (OSC-PLS). Cumhuriyet Üniversitesi Fen Edebiyat Fakültesi Fen Bilimleri Dergisi. 2015;36(3):1600-8.