Estimating and Correcting Mie Scattering in Synchrotron-Based Microscopic Fourier Transform Infrared Spectra by Extended Multiplicative Signal Correction

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Abstract:

We present an approach for estimating and correcting Mie scattering occurring in infrared spectra of single cells, at diffraction limited probe size, as in synchrotron based microscopy. The Mie scattering is modeled by extended multiplicative signal correction (EMSC) and subtracted from the vibrational absorption. Because the Mie scattering depends non-linearly on α, the product of the radius and the refractive index of the medium/sphere causing it, a new method was developed for estimating the Mie scattering by EMSC for unknown radius and refractive index of the Mie scatterer. The theoretically expected Mie contributions for a range of different α values were computed according to the formulae developed by Van de Hulst (1957). The many simulated spectra were then summarized by a six-dimensional subspace model by principal component analysis (PCA). This subspace model was used in EMSC to estimate and correct for Mie scattering, as well as other additive and multiplicative interference effects. The approach was applied to a set of Fourier transform infrared (FT-IR) absorbance spectra measured for individual lung cancer cells in order to remove unwanted interferences and to estimate ranges of important α values for each spectrum. The results indicate that several cell components may contribute to the Mie scattering.

Keywords: EMSC; EXTENDED MULTIPLICATIVE SIGNAL CORRECTION; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MIE SCATTERING; MODEL BASED PREPROCESSING; PCA; PRINCIPLE COMPONENT ANALYSIS; SYNCHROTRON-BASED FT-IR SPECTROSCOPY

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/000370208783759669

Affiliations: 1: Centre for Biospectroscopy and Data Modelling, Norwegian Food Research Institute, Matforsk, 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: Staffordshire Oncology Centre, University Hospital of North Staffordshire, Princes Rd, Stoke on Trent ST4 7LN, United Kingdom; Institute for Science and Technology in Medicine, Keele University, Thornburrow Drive, Stoke on Trent ST4 7QB, United Kingdom 3: Université de Reims Champagne Ardenne, Unité MéDIAN CNRS UMR 6142, UFR Pharmacie, 51 rue Cognacq-Jay, 51096 Reims Cedex, France 4: Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168, Australia 5: Synchrotron Radiation Department, CLRC, Daresbury Laboratory, Warrington, Cheshire WA4 4AD, United Kingdom 6: Institute for Science and Technology in Medicine, Keele University, Thornburrow Drive, Stoke on Trent ST4 7QB, United Kingdom 7: SOLEIL Synchrotron, L'orme des Merisiers, BP48, F-91191 Gif sur Yvette cédex France 8: European Synchrotron Radiation Facility, BP 220, 38043 Grenoble Cedex, France 9: Department of Histopathology, Central Pathology Laboratory, University Hospital of North Staffordshire, Stoke on Trent, ST4 7PA, United Kingdom 10: Centre for Biospectroscopy and Data Modelling, Norwegian Food Research Institute, Matforsk, Osloveien 1, 1430 Ås, Norway; CIGENE – Center for Integrative Genetics, University of Life Sciences, 1432 Ås, Norway; Department of Chemistry, Biology and Food science, Norwegian University of Life Sciences, N-1432 Ås, Norway; Faculty of Life Sciences, University of Copenhagen, Denmark

Publication date: March 1, 2008

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