Sensitivity estimation by the analysis of peak shapes in graphite furnace atomic absorption spectrometry

Abstract

Wegscheider, W., Jančář, L., Phe, M.T., Michaelis, M.R.A. and Ortner, H.M., 1990. Sensitivity Estimation by the analysis of peak shapes in graphite furnace atomic absorption spectrometry. Chemometrics and Intelligent Laboratory Systems, 7: 281–293. Atomization profiles recorded by graphite furnace atomic absorption spectrometry are studied in order to derive empirical models useful in the prediction of (inverse) sensitivity from single atomization curves. The raw data consisting of roughly 250 absorbance data as a function of time are reduced to eight descriptors. For each of the analytes rhodium, selenium and tin, an interference study was run as a fractional factorial design to derive typical changes of peak shapes due to frequently encountered interferents such as magnesium, iron, chromium, aluminium, zinc and sodium. The prediction of sensitivities was generally within 5–15% relative error. Certain aspects of partial least squares modelling, such as cross-validation and reweighting of variables by their modelling power, were also studied.