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Elemental-sensitive Detection of the Chemistry in Batteries through Soft X-ray Absorption Spectroscopy and Resonant Inelastic X-ray Scattering

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A nested multivariate chemometrics based calibration strategy for direct trace biometal analysis in soft tissue

J J Okonda¹, K H Angeyo¹, J M Mangala²

¹Department of Physics, University of Nairobi, P.O Box 30197-00100, Nairobi, Kenya.

Applied Radiation and Isotopes : Including Data, Instrumentation and Methods for Use in Agriculture, Industry and Medicine

|August 15, 2017

Abstract:

Compton scatter-modulated fluorescence and multivariate chemometric (artificial neural network (ANN) and principal component regression (PCR)) calibration strategy was explored for direct rapid trace biometals (Mn, Fe, Cu, Zn, Se) analysis in "complex" matrices (model soft tissues). This involved spectral feature selection (multiple fluorescence signatures) normalized to or in conjunction with Compton scatter. ANN model resulted in more accurate trace biometal determination (R²>0.9) compared to PCR. Hybrid nested (ANN and PCR) approach led to optimized accurate biometals' concentrations in Oyster tissue (≤ ± 10%).

Keywords:

Biometals Calibration strategy Chemometrics Model soft tissue Oyster tissue

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