GC—MS in Space Research: Decoding Complex Isothermal Chromatograms Recovered from Space Missions

Autor: Pietrogrande, Maria Chiara, Zampolli, Maria Grazia, Dondi, Francesco
Zdroj: Annali di Chimica; September 2004, Vol. 94 p721-732, 12p
Abstrakt: An analytical procedure is described to study GC—MS isothermal chromatograms simulating those recovered from space missions: in fact GC plays a predominant role in space missions devoted to characterizing the chemical composition of extraterrestrial atmospheres. SIM (selected ion monitoring) detection was used for monitoring selected chemical classes: a simplified chromatogram can be obtained giving information on the chemical composition of the complex mixture. Since only isothermal GC chromatograms are allowed by flight constraints, a time axis transformation is required to make them homogeneous: i.e., constant retention increments for CH2 additions in terms of a homologous series. The order in the linearized chromatogram can be simply singled out with a chemometric approach based on the study of the Autocovariance Function (ACVF) computed on the digitized chromatogram: the plot of the experimental autocorrelation function (EACF) shows wellshaped peaks if constant interdistances are repeated in different regions of the chromatogram. The method was applied to standard mixtures representative of planetary atmospheres — hydrocarbons, nitriles and oxygenated compounds with between 3 and 12 carbon atoms — analyzed in flight simulating conditions. The coupling of the selectivity of SIM detection with the interpretation power of the EACF procedure proves to be a powerful tool for interpreting data recovered from space missions: the chemical composition of the mixture can be identified by handling the raw SIM chromatograms.
Databáze: Supplemental Index