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Biospectroscopy to metabolically profile biomolecular structure:a multistage approach linking computational analysis with biomarkers

Kerns, Jemma and Trevisan, Julio and Scott, A. D. and Carmichael, P. L. and Pollock, Hubert M. and Martin-Hirsch, P. L. and Martin, Frank L. (2011) Biospectroscopy to metabolically profile biomolecular structure:a multistage approach linking computational analysis with biomarkers. Journal of Proteome Research, 10 (4). pp. 1437-1448. ISSN 1535-3893

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Abstract

Biospectroscopy is employed to derive absorbance spectra representative of biomolecules present in biological samples. The mid-infrared region (λ = 2.5 μm – 25μm) is absorbed to give a biochemical-cell fingerprint (ṽ = 1800 cm-1 – 900 cm-1). Cellular material produces complex spectra due to the variety of chemical bonds present. The complexity and size of spectral data sets warrant multivariate analysis for data reduction, interpretation and classification. Various multivariate analyses are available including principal component analysis (PCA), partial least squares (PLS), linear discriminant analysis (LDA) and evolving fuzzy rule-based classifier (eClass). Interpretation of both visual and numerical results facilitates biomarker identification, cell-type discrimination, prediction and mechanistic of cellular behaviour. Biospectroscopy is a high-throughput non-invasive technology. A comparison of biomarkers/mechanistic knowledge determined from conventional approaches to biospectroscopy coupled with multivariate analysis often provides complementary answers and a novel approach for diagnosis of disease and cell biology.

Item Type: Article
Journal or Publication Title: Journal of Proteome Research
Uncontrolled Keywords: Biological Markers ; Cluster Analysis ; Computational Biology ; Discriminant Analysis ; Least-Squares Analysis ; Molecular Structure ; Multivariate Analysis ; Principal Component Analysis ; Spectrum Analysis
Subjects:
Departments: Faculty of Science and Technology > Lancaster Environment Centre
Faculty of Science and Technology > School of Computing & Communications
Faculty of Science and Technology > Physics
ID Code: 34433
Deposited By: Dr H M Pollock
Deposited On: 02 Nov 2010 16:12
Refereed?: Yes
Published?: Published
Last Modified: 29 Jul 2014 09:23
Identification Number:
URI: http://eprints.lancs.ac.uk/id/eprint/34433

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