Events6th International Electronic Conference on Medicinal Chemistry
Published
This submission belongs to the session C. General: Presentations of the event 6th International Electronic Conference on Medicinal Chemistry
Published date
06 Nov, 2020
Citation
Bojidarka Ivanova, Michael Spiteller, Stochastic dynamic mass spectrometric quantification of steroids in mixture, in Proceedings of 6th International Electronic Conference on Medicinal Chemistry, 1 November–30 November 2020, MDPI: Basel, Switzerland, doi: 10.3390/ECMC2020-07355
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Stochastic dynamic mass spectrometric quantification of steroids in mixture

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Michael Spiteller 2
1. Dortmund University of Technology, Germany
2. 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
Oral Presentation
Poster
6thECMC_Ivanova_Spiteller_2020.pdf
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