SPECTROFLUORIMETRIC DETERMINATION OF PHENOLS IN CIGARETTE MAINSTREAM SMOKE USING PARALLEL FACTOR ANALYSIS

M. V. BOSCO; M. GARRIDO; M. S. LARRECHI

Salamanca

Congreso; XIII EUROANALYSIS European Conference on Analytical Chemistry; 2004

<!-- /* Style Definitions */ p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-parent:""; margin:0cm; margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:12.0pt; font-family:"Times New Roman"; mso-fareast-font-family:"Times New Roman";} @page Section1 {size:612.0pt 792.0pt; margin:70.85pt 3.0cm 70.85pt 3.0cm; mso-header-margin:36.0pt; mso-footer-margin:36.0pt; mso-paper-source:0;} div.Section1 {page:Section1;} --> Fluorescence spectroscopy is a fast, cheap and sensitive analytical method, and is attractive for use in conjunction with chemometric methods. Multi-way models such as parallel factor analysis (PARAFAC) can be used to interpret the data set more easily. The data often contain light scattering effects, such as Rayleigh scatter. Since PARAFAC only decomposes trilinear structures, this causes some mathematical difficulties in the decomposition. For this reason, this effect should be removed. The present study describes how chemometric tools such as PARAFAC can be used to determine phenol, o-cresol, m-cresol, p-cresol, resorcinol, hydroquinone, and catechol in mainstream cigarette smoke. This methodology significantly reduces the effort required to make the analysis. This is partly due to the simplicity of the sample preparation, which because does not need a separation stage, and for the short time required to make the spectrofluorometric measurement. For the purposes of analysis, the cigarettes are smoked in the conditions described in the International Standard Organization (ISO). The smoke is collected in a water trap and is then analyzed directly using a fluorescence technique. Other authors required an extraction process or a clean-up procedure like simultaneous (steam) distillation and extraction (SDE). By eliminating the solvent spectrum and the effect of Rayleigh scatter, and by using non-negativity and unimodality constraints a PARAFAC model can be developed that reflects chemically meaningful analytes. In addition, the estimated concentrations of the chemical species obtained are shown to give useful information about the composition of the cigarettes.