Skip to main content
SpringerLink
Log in

Resolution of ternary mixtures of salicylic, salicyluric and gentisic acids by partial least squares and principal component regression: Optimization of the scanning path in the excitation-emission matrices

  • Original Papers
  • Biological/Pharmaceutical Analysis
  • Published:
Fresenius' Journal of Analytical Chemistry Aims and scope Submit manuscript

Abstract

The resolution of ternary mixtures of salicylic, salicyluric and gentisic acids has been accomplished by partial least squares (PLS) and principal component regression (PCR) multivariate calibration. The total luminescence information of the compounds has been used to optimize the spectral data set to perform the calibration. A comparison between the predictive ability of the three multivariate calibration methods, PLS-1, PLS-2 and PCR, on three spectral data sets, excitation, emission and synchronous spectra, has been performed. The excitation spectrum has been the best scanning path for salicylic and salicyluric acid determinations, while the emission spectrum has been the best for the gentisic acid determination. The convenience of analysing the total luminescence spectrum information when using multivariate calibration methods on fluorescence data is demonstrated.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Brown SD (1990) Anal Chem 62:84R-101R

    Google Scholar 

  2. Brown SD, Bear RS Jr, Blank TB (1992) Anal Chem 64:22R-49R

    Google Scholar 

  3. Haaland DM (1988) Anal Chem 60:1208–1217

    Google Scholar 

  4. Fredericks PM, Lee JB, Osborn PR, Swinkels DA (1985) J Appl Spectrosc 39:303–310

    Google Scholar 

  5. Fredericks PM, Lee JB, Osborn PR, Swinkels DA (1985) J Appl Spectrosc 39:311–316

    Google Scholar 

  6. Espinosa-Mansilla A, Muñoz de la Peña A, Salinas F, Zamoro A (1992) Anal Chim Acta 258:47–53

    Google Scholar 

  7. Espinosa-Mansilla A, Muñoz de la Peña A, Salinas F, Martínez-Galera M (1993) Anal Chim Acta 276:141–149

    Google Scholar 

  8. Durán-Merás I, Muñoz de la Peña A, Espinosa-Mansilla A, Salinas F (1993) Analyst 118:807–813

    Google Scholar 

  9. Espinosa-Mansilla A, Muñoz de la Peña A, Salinas F, Martínez-Galera M (1993) Fresenius J Anal Chem 347:371–375

    Google Scholar 

  10. Jimenez Arrabal M, Valiente González P, Muñoz de la Peña A, Caro Gámez C, Sánchez Misiego A (1994) Analyst 119:1537–1540

    Google Scholar 

  11. MacLaurin P, Worsfold PJ, Crane M, Norman P (1992) Anal Proc 29:65–68

    Google Scholar 

  12. Sánchez E, Kowalski BR (1986) Anal Chem 58:496–499

    Google Scholar 

  13. Lindberg W, Persson JA, Wold S (1983) Anal Chem 55:643–648

    Google Scholar 

  14. Sánchez Peña M, Muñoz de la Peña A, Salinas F, Mahedero MC, Aaron JJ (1994) Analyst 119:1177–1181

    Google Scholar 

  15. Pedersen B, Martens H (1989) Multivariate calibration of fluorescence data. In: Munck L (ed) Fluorescence analysis in foods, Chapter 13. Longman, Essex

    Google Scholar 

  16. Jones R, Coomber TJ, Mc Cormick JP, Fell AF, Clarck BJ (1988) Anal Proc 25:381–383

    Google Scholar 

  17. GRAMS-386 Software Package, Version 2.0 and Add-on Application PLS plus Version 2.1 G, Galactic Industries, Salem, NH, USA

  18. Muñoz de la Peña A, Salinas F, Durán-Merás I (1988) Anal Chem 60:2493–2496

    Google Scholar 

  19. Salinas F, Muñoz de la Peña A, Durán-Merás I, Durán MS (1990) Analyst 115:1007–1011

    Google Scholar 

  20. Muñoz de la Peña A, Murillo JA, Vega JM, Baringo F (1988) Comput Chem 12:213–217

    Google Scholar 

  21. Haaland DM, Thomas EV (1988) Anal Chem 60:1193–1202

    Google Scholar 

  22. Haaland DM, Thomas EV (1988) Anal Chem 60:1202–1208

    Google Scholar 

  23. Thomas EV, Haaland DM (1990) Anal Chem 62:1091–1099

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Analytical Chemistry, University of Extremadura, E-06071, Badajoz, Spain

    A. Muñoz de la Peña, I. Durán-Merás, M. D. Moreno & F. Salinas

  2. Department of Analytical Chemistry, Experimental Sciences Faculty of Almería, University of Almeria, E-04071, Almeria, Spain

    M. Martínez Galera

Authors
  1. A. Muñoz de la Peña
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. I. Durán-Merás
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. M. D. Moreno
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. F. Salinas
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. M. Martínez Galera
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Muñoz de la Peña, A., Durán-Merás, I., Moreno, M.D. et al. Resolution of ternary mixtures of salicylic, salicyluric and gentisic acids by partial least squares and principal component regression: Optimization of the scanning path in the excitation-emission matrices. Fresenius J Anal Chem 351, 571–576 (1995). https://doi.org/10.1007/BF00322735

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00322735

Keywords

Search

Navigation