Skip to main content
SpringerLink
Log in

Applying non-parametric statistical methods to the classical measurements of inclusion complex binding constants

  • Original Paper
  • Published:
Analytical and Bioanalytical Chemistry Aims and scope Submit manuscript

Abstract

A study on using non-parametric statistical methods was carried out to calculate the binding constant of an inclusion complex and to estimate its associated uncertainty. First, a correct evaluation of the stoichiometry was carried out in order to ensure an accurate determination of the binding constant. For this purpose, the modified Benesi-Hildelbrand method had been previously applied. Then, four statistical methods (three non-parametric methods: two bootstrap approaches, the jackknife method and a parametric one: Fieller's theorem) were employed in order to compute the binding constant. The results obtained from applying these methods and the combination of the methods: jackknife after bootstrap and bootstrap after jackknife were compared. The best results in terms of accuracy were obtained from the application of a bootstrap method: the resampling residuals approach. These procedures were applied to the inclusion complex 2-hydroxil-propyl-β-cyclodextrin-2,4-dichloro-phenoxyacetic, which shows photochemically-induced fluorescence.

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

Fig. 1.
Fig. 2.
Fig. 3.
Fig. 4.
Fig. 5.
Fig.6.
Fig. 7.

Similar content being viewed by others

References

  1. Rekharsky M V, Inoue Y (1998) Chem Rev 98:1875–1917

    Article  CAS  PubMed  Google Scholar 

  2. Maafi M, Laassis B, Aaron J J, Mahedero M C, Muñoz de la Peña A, Salinas F (1995) J Inclus Phenom Mol Recogn Chem 22:235–247

    Google Scholar 

  3. Coly A, Aaron J J (1998) Anal Chim Acta 360:129–141

    Article  CAS  Google Scholar 

  4. Muñoz de la Peña A, Salinas F, Gómez M J, Acedo M I, Sánchez Peña M (1993) J Inclus Phenom Mol Recogn Chem 15:131–143

    Google Scholar 

  5. Will A Y, Muñoz de la Peña A, Ndou T T, Warner I M (1995) Appl Spectroscopy 49:520–525

    CAS  Google Scholar 

  6. Maafi M, Aaron J J, Mahedero M C, Salinas F (1998) Appl Spectroscopy 52:91–95

    CAS  Google Scholar 

  7. Maafi M, Mahedero M C, Aaron J J (1997) Talanta 44:2193–2199

    Article  CAS  Google Scholar 

  8. Coly A, Aaron J J (1998) Talanta 46:815–843

    Article  CAS  Google Scholar 

  9. Marquez J C, Hernandez M, García–Sanchez F (1990) Analyst 115:1003–1005

    CAS  PubMed  Google Scholar 

  10. Panadero S, Gómez–Hens A, Pérez–Bendito D (1993) Talanta 40:225–203

    Article  CAS  Google Scholar 

  11. García–Sanchez F, Cedazo M, Lovillo J, Navas–Díaz A (1996) Talanta 43:1327–1333

    Article  Google Scholar 

  12. Eremin S A, Laasis B, Aaron J J (1996) Talanta 43:259–301

    Article  Google Scholar 

  13. García L F, Eremin S A, Aaron J J, (1996) Anal Lett 29:1447–1461

    Google Scholar 

  14. García–Campaña A M, Aaron J J (2000) Luminescence 15:110–112

    Google Scholar 

  15. García–Campaña A M, Aaron J J, Bosque–Sendra J M (2001) Talanta 55:531–539

    Article  Google Scholar 

  16. Benesi H A, Hildebrand J H (1949) J Am Chem Soc 71:2703–2707

    CAS  Google Scholar 

  17. Martin R B (1997) J Chem Educ 74:1238–1240

    CAS  Google Scholar 

  18. Yang C, Liu L, Mu T W, Gluo Q X (2000) Anal Sci 16:537–539

    CAS  Google Scholar 

  19. Exner O (1997) Chemom Intell Lab Syst 39:85–93

    Article  CAS  Google Scholar 

  20. Finney D J (1978) Statistical Method in Biological Assay (third edition). Charles Griffin, London, UK, pp 69–87

  21. ISO (1993) Guide to the Expression of Uncertainty in Measurement. International Standards Organization, Geneva

  22. Efron B, Tibshirani R J (1993) An introduction to the bootstrap. Chapman & Hall/CRC, UK, pp 45–150

  23. Bonate P L (1993) Anal Chem 65:1367–1372

    CAS  Google Scholar 

  24. Wehrens R, Putter H, Buydens L M C (2000) Chemom Intell Lab Syst 54:35–52

    Article  CAS  Google Scholar 

  25. Ortiz M C, Arcos J, Sarabia L (1996) Chemom Intell Lab Syst 34:245–262

    Article  CAS  Google Scholar 

  26. Prenesti E, Daniele P G, Prencipe M, Ostacoli G (1999) Polyhedrom 18:3233–3241

    Article  CAS  Google Scholar 

  27. Pais A A C C, Pereira J L G C, Redinha J S (2000) Computers & Chemistry 24:533–539

  28. Dathe M, Otto M (1996) Fresenius J Anal Chem 356:17–20

    Google Scholar 

  29. Faber N M (2001) Anal Chim Acta 439:193–201

    Article  Google Scholar 

  30. Hardy A J, MacLaurin P, Haswell S J, Jong S, Vandeginste B G M (1996) Chemom Intell Lab Syst 34:117–129

    Article  CAS  Google Scholar 

  31. Meloun M, Cernohorsky P (2000) Talanta 52:931–945

    Article  CAS  Google Scholar 

  32. Ramu K, Lam G N, Chien B (2001) J Chromatogr 751:49–59

    Article  CAS  Google Scholar 

  33. EAL–R2 (1997) Expression of the uncertainty of measurement in calibrations. European Cooperation for Accreditation Laboratory

  34. Montgomery D C (1997) Design and Analysis of Experiments. John Wiley, Chichester, UK, pp 604–605

  35. Bosque–Sendra J M, Pescarolo S, Cuadros–Rodriguez L, García–Campaña A M, Almansa–López E M (2001) Fresenius J Anal Chem 369:715–718

    Article  CAS  PubMed  Google Scholar 

  36. Valderrama M J (1989) Métodos Matemáticos Aplicados a las Ciencias Experimentales (in Spanish), Pirámide. Madrid, Spain, pp 288–291

Download references

Author information

Authors and Affiliations

  1. School of Qualimetrics, Department of Analytical Chemistry, University of Granada, 18071, Granada, Spain

    E. Almansa López, J. M. Bosque-Sendra, L. Cuadros Rodríguez & A. M. García Campaña

  2. Institut de Topologie et de Systèmes de l'Université Denis DIDEROT, Paris 7, Laboratoire Associé au CNRS, Paris, France

    J. J. Aaron

Authors
  1. E. Almansa López
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. J. M. Bosque-Sendra
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. L. Cuadros Rodríguez
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. A. M. García Campaña
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. J. J. Aaron
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to J. M. Bosque-Sendra.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Almansa López, E., Bosque-Sendra, J.M., Cuadros Rodríguez, L. et al. Applying non-parametric statistical methods to the classical measurements of inclusion complex binding constants. Anal Bioanal Chem 375, 414–423 (2003). https://doi.org/10.1007/s00216-002-1693-0

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00216-002-1693-0

Keywords

Search

Navigation