Jump to main content
Jump to site search

Issue 17, 2014
Previous Article Next Article

A sample-effective calibration design for multiple components

Author affiliations


The experimental design of mixtures for multivariate calibration is introduced. The idea of this design is based on uniform distribution of experimental points in a concentration hypercube. Unlike the already reported uniform designs this one is pretty simple and not computationally demanding. The suggested approach does not employ the concept of fixed “levels” and allows for designs with any number of experimental mixtures and any number of components depending on “time and money” considerations for each particular calibration experiment. The performance of the design is assessed with a UV-Vis spectroscopic experiment for simultaneous quantification of four inorganic components in complex mixtures. The performance of the PLS regression models derived from the design is compared with that of cyclic permutation and Kennard–Stone designs. The suggested approach allows for comparable or higher prediction accuracy with the lower number of experimental points.

Graphical abstract: A sample-effective calibration design for multiple components

Back to tab navigation

Publication details

The article was received on 30 Jan 2014, accepted on 02 Jun 2014 and first published on 03 Jun 2014

Article type: Paper
DOI: 10.1039/C4AN00227J
Author version
Download author version (PDF)
Citation: Analyst, 2014,139, 4303-4309
  •   Request permissions

    A sample-effective calibration design for multiple components

    D. Kirsanov, V. Panchuk, M. Agafonova-Moroz, M. Khaydukova, A. Lumpov, V. Semenov and A. Legin, Analyst, 2014, 139, 4303
    DOI: 10.1039/C4AN00227J

Search articles by author