Application of asymmetric model in analysis of fluorescence spectra of biologically important molecules

J Fluoresc. 2007 May;17(3):319-29. doi: 10.1007/s10895-007-0175-3. Epub 2007 Mar 30.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Benzene Derivatives / chemistry*
  • Catechols / chemistry
  • Hydroquinones / chemistry
  • Luminescent Measurements / methods*
  • Models, Theoretical*
  • Phenols / chemistry
  • Phenylalanine / chemistry
  • Probability
  • Spectrometry, Fluorescence / methods*
  • Tryptophan / chemistry

Substances

  • Benzene Derivatives
  • Catechols
  • Hydroquinones
  • Phenols
  • Phenylalanine
  • Tryptophan
  • coniferyl alcohol
  • catechol
  • hydroquinone