Determination of Solute Descriptors for Illicit Drugs Using Gas Chromatographic Retention Data and Abraham Solvation Model Page: 19
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Flame photometric mass flow 100 pg sulfur, tin, boron, 103
(FPD)
phosphorus, arsenic,
selenium, chromium
Halides, nitrates,nitriles
anhydrides,
organometallics
Nitrogen phosphorus mass flow 10 pg Nitrogen, phosphorus 106
(NPD)
The type of detector to use depends on the goals of the experiment and the type of analyte
to be studied. Each detector will give different type of selectivity. In our case we are using the
FID universal detector. Most of these detectors use helium or nitrogen as carrier gases. Most
detectors use hydrogen and air or make up gases and other may use hydrogen and air possibly
oxygen as support gases.
1.4 Summary
Gas chromatography is a method for separating substance in a mixture and measuring the
relative quantities of substance. The result in gas chromatography provides the peak area or peak
height and the retention time. In this experiment the retention time of different solutes are used in
the Abraham solvation model equation to predict solute descriptors. The experimental retention
time data can be applied through the Abraham solvation model to predict various and significant
chemical and biological properties of pharmaceutical importance. The retention time is a
reflection of the substance's affinity for the stationary phase. The retention time can be used as
property to characterize the compound. We can rely on the retention time only when measuring
reference or sample under identical conditions and shorty after each other.
Once the drug's descriptors are determined, they can be used to predict the partitioning
behavior of molecule through different biological barriers. In this experiment, the partitioning
coefficients are determined by measuring the retention time and using them in the appropriate19
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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/m1/28/: accessed July 17, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; .