Application of Asymmetric Model in Analysis of Fluorescence Spectra of Biologically Important Molecules

Abstract

Having a valid mathematical model for structureless emission band shapes is important when deconvoluting fluorescence spectra of complex molecules. We propose a new asymmetric model for emission spectra of five organic molecules containing aromatic ring: catechol, coniferyl alcohol, hydroquinone, phenylalanine and tryptophan. For each molecule, a series of emission spectra, varying in excitation wavelength, were fitted with the new model as well as with two other analytical expressions: log-normal, described previously in the literature, and sigmoid-exponential. Their deconvolution into two, three and four Gaussian components was also performed, in order to estimate the number of symmetric components needed to obtain a better fitting quality than that of the asymmetric models. Four subtypes of the new model, as well as the log-normal one, did not differ significantly in their fitting errors, while the sigmoid-exponential model showed a significantly worse fit. Spectra of two mixtures: hydroquinone–coniferyl alcohol and hydroquinone–tryptophan were deconvoluted into two asymmetric and four Gaussian components. Positions of asymmetric components of mixtures matched those of separate molecules, while Gaussian did not. Component analysis of a polymer molecule, lignin, was also performed. In this more complex case asymmetric and Gaussian components also grouped in alternating positions.