Optimization of Two Fourier Transform Infrared Least-Squares Multivariate Analysis Methods for the Simultaneous Quantitation of Mixtures of Three Metal-Carbonyl Complexes in the Picomole Range

Abstract

In order to develop a simultaneous multi-carbonyl metallo immuno assay (multi-CMIA) associated with Fourier transform infrared spectroscopy as the detection method, we thoroughly studied two multivariate analysis methods for the quantitation of mixtures of metal-carbonyl complexes from their infrared spectra restricted to the region of the v_co vibration modes (1850–2200 cm⁻¹). These two methods were based on classical least-squares (CLS) and partial least-squares (PLS) algorithms. The influence of some of the parameters involved in the calibration stage (spectral intervals, nature and number of calibration spectra) was studied for both multivariate methods. With optimized calibration models, we showed that either artificial or real mixtures of three metal-carbonyl complexes could be simultaneously quantified in the 10–100 pmol range, which is the working area of CMIA experiments, with relative errors around 6%.

Keywords

Metal-carbonyl label FT-IR spectroscopy Quantitative analysis Classical least-squares (CLS)Partial least-squares (PLS)Multivariate analysis

Get full access to this article

View all access options for this article.

References

Griffiths

P. R.

and De Haseth

J. A

, Fourier Transform Infrared Spectrometry (Wiley–Interscience, New York, 1986).

Mantsch

H. H.

and Chapman

, Infrared Spectroscopy of Biomolecules (Wiley–Liss, New York, 1996).

Heise

H. M.

Marbach

Koschinsky

T. L.

and Gries

F. A

, Appl. Spectrosc. 48, 85 (1994).

Kisner

H. J.

Brown

C. W.

and Kavarnos

G. J

, Anal. Chem. 54, 1479 (1982).

Bhandare

Mendelson

Stohr

and Peura

R. A

, Vib. Spectrosc. 6, 363 (1994).

Bozdogan

Kunt

G. K.

and Acar

A. M

, Anal. Lett. 25, 2051 (1992).

Volmer

Bolck

Wolthers

B. G.

De Ruiter

A. J.

Doornbos

D. A.

and Van der Slik

, Clin. Chem. 39, 948 (1993).

Salmain

Vessières

Jaouen

and Butler

I. S

, Anal. Chem. 63, 2323 (1991).

Salmain

Vessières

Brossier

Butler

I. S.

and Jaouen

, J. Immunol. Methods 148, 65 (1992).

10.

Varenne

Vessières

Salmain

Brossier

and Jaouen

, J. Immunol. Methods 186, 195 (1995).

11.

Varenne

Vessières

Brossier

and Jaouen

, Res. Comm. Chem. Pathol. Pharmacol. 84, 81 (1994).

12.

Philomin

Vessières

and Jaouen

, J. Immunol. Methods 171, 201 (1994).

13.

Varenne

Vessières

Salmain

Durand

Brossier

and Jaouen

, Anal. Biochem. 242, 172 (1996).

14.

Li-Shi

and Levine

S. P

, Anal. Chem. 61, 677 (1989).

15.

Xiaio

and Levine

S. P

, Anal. Chem. 65, 2262 (1993).

16.

Salmain

Vessières

Butler

I. S.

and Jaouen

, Bioconjugate Chem. 2, 13 (1991).

17.

Lavastre

Besancon

Brossier

and Moise

, Appl. Organomet. Chem. 4, 9 (1990).

18.

Vessières

Jaouen

Salmain

and Butler

I. S

, Appl. Spectrosc. 44, 1092 (1990).

19.

Fuller

M. P.

Ritter

G. L.

and Draper

C. S

, Appl. Spectrosc. 42, 217 (1988).

20.

Haaland

D. M.

and Thomas

E. V

, Anal. Chem. 60, 1193 (1988).

21.

Box

G. E. P.

Hunter

W. G.

and Hunter

J. S

, Statistics for Experimenters (Wiley, New York, 1978).

22.

Bor

, J. Organomet. Chem. 94, 181 (1975).

23.

Adams

D. M.

, Metal-Ligand and Related Vibrations (Arnold, London, 1967).

24.

Haaland

D. M.

, in Practical Fourier Transform Infrared Spectroscopy, Ferraro

J. R.

and Krishnan

, Eds. (Academic Press, New York, 1990).

25.

Geladi

and Kowalski

, Anal. Chim. Acta 185, 1 (1986).

26.

Wang

Roe

B. A.

Nicholas

K. M.

and White

R. L

, J. Am. Chem. Soc. 115, 4399 (1993).

27.

Anson

C. E.

Creaser

C. S.

and Stephenson

G. R

, J. Chem. Soc., Chem. Commun., 2175–2176 (1994).