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Stochastic dynamic mass spectrometric quantification of steroids in mixture
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1  Dortmund University of Technology

Abstract:

In this contribution we further explore our innovative stochastic dynamic (SD) concept and model formulas treating quantitatively experimental mass spectrometric (MS) variable intensity with respect to the analyte concentration in solution by introducing the so-called mass spectrometric stochatic dynamic diffusion parameter (DSD.) It is directly connected with the measurable outcome. The steroids (STs) in mixture: hydrocortisone (1), deoxycorticosterone (2), progesterone (3) and methyltestosterone (4) at analyte concentration ng.(mL)-1 are studied. The reader's attention is focused on our new more simplistic model formula: DSD = 2.6388.10-17.(<I2> – <I>2) connecting between DSD data and the MS intensity values. Its experimental testability is discussed. A correlative analysis among the stochastic dynamic parameters derived, so far, is presented. The MS results are correlated independently with chromatographic data. Chemometrics is carried out. The excellent chemometric data obtained in this study show that it significantly contribute not only to the field of the quantitative analytical chemistry, but also to our understanding of the functional relationships among mass spectrometric measurable variables, experimental factors and parameters such as the analyte concentration in solution and the temperature as well as molecular parameters and properties, respectively.

Keywords: mass spectrometry, quantification, steroids, stochastic dynamics
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