Determination of Solute Descriptors for Illicit Drugs Using Gas Chromatographic Retention Data and Abraham Solvation Model Page: 2
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Mitheo, Yannick K. Determination of solute descriptors for illicit drugs using gas
chromatographic retention data and Abraham solvation model. Master of Science (Analytical
Chemistry), August 2015, 88 pp., 36 tables, 14 figures, references, 62 titles.
In this experiment, more than one hundred volatile organic compounds were analyzed
with the gas chromatograph. Six capillary columns ZB wax plus, ZB 35, TRIMS, TR5, TG5MS
and TG1301 MS with different polarities have been used for separation of compounds and illicit
drugs. The Abraham solvation model has five solute descriptors. The solute descriptors are E, S,
A, B, L (or V). Based on the six stationary phases, six equations were constructed as a training
set for each of the six columns. The six equations served to calculate the solute descriptors for a
set of illicit drugs. Drugs studied are nicotine (S= 0.870, A= 0.000, B= 1.073), oxycodone(S=
2.564. A= 0.286, B= 1.706), methamphetamine (S= 0.297, A= 1.570, B= 1.009), heroin
(S=2.224, A= 0.000, B= 2.136) and ketamine (S= 1.005, A= 0.000, B= 1.126). The solute
property of Abraham solvation model is represented as a logarithm of retention time, thus the
logarithm of experimental and calculated retention times is compared.
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Mitheo, Yannick K. Determination of Solute Descriptors for Illicit Drugs Using Gas Chromatographic Retention Data and Abraham Solvation Model, thesis, August 2015; Denton, Texas. (https://digital.library.unt.edu/ark:/67531/metadc804935/m1/2/: accessed July 17, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .