Solvation parameter model: Tutorial on its application to separation systems for neutral compounds

CF Poole - Journal of Chromatography A, 2021 - Elsevier
The solvation parameter model affords a useful tool to model distribution properties of
neutral compounds in biphasic separation systems. Common applications include column …

Recent advances for estimating environmental properties for small molecules from chromatographic measurements and the solvation parameter model

CF Poole, SN Atapattu - Journal of Chromatography A, 2023 - Elsevier
The transfer of neutral compounds between immiscible phases in chromatographic or
environmental systems can be described by six solute properties (solute descriptors) using …

[HTML][HTML] A polemic on the use of reversed-phase liquid chromatography to determine descriptors for the solvation parameter model

CF Poole, SN Atapattu - Journal of Chromatography Open, 2023 - Elsevier
Revised descriptors for 74 varied compounds recommended for the characterization of
reversed-phase silica columns using the solvation parameter model are assigned by the …

Wayne State University experimental descriptor database for use with the solvation parameter model

CF Poole - Journal of Chromatography A, 2020 - Elsevier
The solvation parameter model is a well established quantitative structure-property
relationship model suitable for describing the contribution of intermolecular interactions in a …

Determination of descriptors for the principal flavor compounds of the cinnamons of commerce by gas chromatography and liquid-liquid partition

TC Ariyasena, KP Hewage, CF Poole - Journal of Chromatography A, 2024 - Elsevier
Descriptors for fourteen semivolatile organic compounds associated with the authenticity,
botanical origin, and flavor potential of the cinnamons of commerce were determined using …

Determination of physicochemical properties of small molecules by reversed-phase liquid chromatography

CF Poole, SN Atapattu - Journal of Chromatography a, 2020 - Elsevier
The physicochemical properties of small molecules that can be determined by retention
measurements in reversed-phase liquid chromatography include solvent-based properties …

Determination of the hydrogen-bond basicity descriptor by reversed-phase liquid chromatography

CF Poole - Journal of Chromatography A, 2024 - Elsevier
Except for alkanes, most organic compounds are hydrogen-bond bases. The B° descriptor of
the solvation parameter model provides a convenient measure of the effective (or …

Structural effects on the hydrogen-bonding descriptors of the solvation parameter model

CF Poole - Journal of Solution Chemistry, 2022 - Springer
Optimized hydrogen-bond descriptors are provided for 21 primary and secondary alcohols,
16 phenols, 10 anilines and 4 amides derived from experimental chromatographic and …

Determination of solvation parameter model compound descriptors by gas chromatography

CF Poole - Journal of Chromatography A, 2024 - Elsevier
The solvation parameter model uses five system independent descriptors to characterize
compound properties defined as excess molar refraction, E, dipolarity/polarizability, S …

Assessment of liquid-liquid partition for the assignment of descriptors for the solvation parameter model

CF Poole - Journal of Chromatography A, 2024 - Elsevier
The solvation parameter model uses five system independent descriptors to characterize
compound properties defined as excess molar refraction, E, dipolarity/polarizability, S …