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	Formation and Loss of Complex Ions in the Gas-Phase Dryahina, Kseniya ; Španěl, Patrik (advisor) ; Plašil, Radek (referee) ; Trunec, David (referee) ; Fárník, Michal (referee) Detailed record
	Formation and Loss of Complex Ions in the Gas-Phase Dryahina, Kseniya ; Španěl, Patrik (advisor) ; Plašil, Radek (referee) ; Trunec, David (referee) ; Fárník, Michal (referee) Detailed record
	Teoretické studium difúze iontů dúležitých pro analýzu dechu metodou SIFT-MS Dryahina, K. ; Španěl, Patrik Accuracy of quantitative Selected Ion Flow Tube Mass Spectrometry SIFT-MS is ultimately determined by the proper accounting in the data analysis for the effect of differential diffusion. Diffusion loss of the product ions can be typically lower by a factor of up to 3 in comparison with the precursor ions. Hard sphere model of diffusion of polyatomic ions in helium has been used to calculate diffusion coefficients of the precursor and product ions involved in SIFT-MS quantification of common breath metabolites ammonia, acetone, isoprene, acetaldehyde and ethanol. Calculation involves semiempirical PM3 method for determination of the geometries of the ions, numerical averaging of the geometrical cross section for collisions with helium atoms and construction of a model interaction (12, 4) model potential followed by the analytical calculation of ionic mobility using momentum-transfer collision integral. Finally the values of diffusion enhancement factors have been calculated. Detailed record

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