Reducing Inter-replicate Variation in Fourier Transform Infrared Spectroscopy by Extended Multiplicative Signal Correction

Authors: Kohler, A.¹; Böcker, U.²; Warringer, J.³; Blomberg, A.³; Omholt, S.W.⁴; Stark, E.⁵; Martens, H.⁶

Source: Applied Spectroscopy, Volume 63, Issue 3, Pages 68A-86A and 261-380 (March 2009) , pp. 296-305(10)

Publisher: Society for Applied Spectroscopy

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Abstract:

Fourier transform infrared (FT-IR) spectroscopy is a powerful tool for characterizing biological tissues and organisms, but it is plagued by replicate variation of various sources. Here, a method for estimating and correcting unwanted replicate variation in multivariate measurement signals, based on extended multiplicative signal correction (EMSC), is presented. Systematic patterns of unwanted methodological variations are estimated from replicate spectra, modeled by a linear subspace model, and implemented into EMSC. The method is applied to FT-IR spectra of two different sets of microorganisms (different double gene knockout strains of Saccharomyces cerevisiae and different species of Listeria) and compared to other preprocessing methods used in FT-IR absorption spectroscopy of microorganisms. The EMSC replicate correction turns out to perform best among the compared methods.

Keywords: EXTENDED MULTIPLICATIVE SIGNAL CORRECTION; EMSC; MODEL-BASED PREPROCESSING; FOURIER TRANSFORM INFRARED SPECTROSCOPY; FT-IR SPECTROSCOPY

Document Type: Research article

DOI: 10.1366/000370209787598906

Affiliations: 1: Nofima Mat, Centre for Biospectroscopy and Data Modelling, Osloveien 1, 1430 Ås, Norway; CIGENE - Center for Integrative Genetics, University of Life Sciences, 1432 Ås, Norway; Department of Mathematical Sciences and Technology (IMT), Norwegian University of Life Sciences, 1432 Ås, Norway 2: Nofima Mat, Centre for Biospectroscopy and Data Modelling, Osloveien 1, 1430 Ås, Norway; CIGENE - Center for Integrative Genetics, University of Life Sciences, 1432 Ås, Norway 3: Department of Cell and Molecular Biology, University of Gothenburg, 41390 Göteborg, Sweden 4: CIGENE - Center for Integrative Genetics, University of Life Sciences, 1432 Ås, Norway; Department of Animal and Aquacultural Sciences, Norwegian University of Life Sciences, 1432 Ås, Norway 5: KES Analysis, Inc, New York, New York 6: Nofima Mat, Centre for Biospectroscopy and Data Modelling, Osloveien 1, 1430 Ås, Norway; CIGENE - Center for Integrative Genetics, University of Life Sciences, 1432 Ås, Norway; Department of Mathematical Sciences and Technology (IMT), Norwegian University of Life Sciences, 1432 Ås, Norway; Faculty of Life Sciences, University of Copenhagen, Denmark