TY - JOUR

T1 - Advances in Fourier-transform infrared spectroscopy analysis to characterise chemical-induced alterations in the Syrian hamster embryo assay-towards biomarkers stability

AU - Trevisan, Julio

AU - Angelov, Plamen P.

AU - Carmichael, Paul L.

AU - Scott, Andrew

AU - Martin, Francis L.

PY - 2012/11

Y1 - 2012/11

N2 - The SHE assay (pH 6.7) is being considered as a ‘3Rs’ alternativein animal laboratory studies (1). We have previously developeda protocol to conduct Fourier-transform infrared spectroscopyin the Syrian hamster embryo (FTIRS-SHE) experiments, andcorresponding software to build up a FTIRS-SHE database.Subsequently, we applied machine learning and statistical methodsto analyse our datasets towards chemical-treatment classification,morphological transformation classification, and extractionof biomarkers (i.e. spectral wavenumbers) related to chemicaltreatment (2). In the present study, we set out to validate anddevelop further our biomarker extraction techniques. Biomarkervalidation is of extreme importance, for it was found that dependingon different biomarker extraction methods (i.e. computationalalgorithms), there was marked variability in the subsequentlyidentified discriminating biomolecular entities and this wouldinevitably give rise to different mechanistic interpretations.Furthermore, currently a number of techniques used for suchbiomarker extraction purposes employed in a variety of fieldswere never initially conceived with this intention. In this work,we compare different techniques used to extract biomarkers andpresent rationales for their possible disagreement. We recommendan analysis framework that can derive robust biomarkers for theFTIRS-SHE assay based on pattern classification. The applicationof our framework can be extended to other studies that use FTIR orRaman spectroscopy. This work was funded by Unilever and theSHE assays were conducted at BioReliance, USA.

AB - The SHE assay (pH 6.7) is being considered as a ‘3Rs’ alternativein animal laboratory studies (1). We have previously developeda protocol to conduct Fourier-transform infrared spectroscopyin the Syrian hamster embryo (FTIRS-SHE) experiments, andcorresponding software to build up a FTIRS-SHE database.Subsequently, we applied machine learning and statistical methodsto analyse our datasets towards chemical-treatment classification,morphological transformation classification, and extractionof biomarkers (i.e. spectral wavenumbers) related to chemicaltreatment (2). In the present study, we set out to validate anddevelop further our biomarker extraction techniques. Biomarkervalidation is of extreme importance, for it was found that dependingon different biomarker extraction methods (i.e. computationalalgorithms), there was marked variability in the subsequentlyidentified discriminating biomolecular entities and this wouldinevitably give rise to different mechanistic interpretations.Furthermore, currently a number of techniques used for suchbiomarker extraction purposes employed in a variety of fieldswere never initially conceived with this intention. In this work,we compare different techniques used to extract biomarkers andpresent rationales for their possible disagreement. We recommendan analysis framework that can derive robust biomarkers for theFTIRS-SHE assay based on pattern classification. The applicationof our framework can be extended to other studies that use FTIR orRaman spectroscopy. This work was funded by Unilever and theSHE assays were conducted at BioReliance, USA.

U2 - 10.1093/mutage/ges061

DO - 10.1093/mutage/ges061

M3 - Meeting abstract

VL - 27

SP - 792

EP - 792

JO - Mutagenesis

JF - Mutagenesis

SN - 0267-8357

IS - 6

ER -