Quantitative Explanation of Basic Compound Retention Mechanisms in Reversed-Phase Mode Liquid Chromatography

Quantitative in silico analysis of organic modifier effect on retention in reversed-phase liquid chromatography.

Retention times in reversed-phase liquid chromatography were quantitatively analyzed in silico using alkanes as standard compounds, much like they have been used for Kovats indices in gas chromatography. The molecular interaction energy was calculated between an analyte and a model hydrophobic phase using a molecular mechanics program. The solvation energy was calculated between an analyte and ...

Predicting Retention Times of Naturally Occurring Phenolic Compounds in Reversed-Phase Liquid Chromatography: A Quantitative Structure-Retention Relationship (QSRR) Approach

Quantitative structure-retention relationships (QSRRs) have successfully been developed for naturally occurring phenolic compounds in a reversed-phase liquid chromatographic (RPLC) system. A total of 1519 descriptors were calculated from the optimized structures of the molecules using MOPAC2009 and DRAGON softwares. The data set of 39 molecules was divided into training and external validation ...

EVALUATION OF THE USE OF ANIONIC/ NONIONIC MIXED MICELLES IN REVERSED PHASE LIQUID CHROMATOGRAPHY OF CHLOROPHENOLS

The use of aqueous mixed micellar system consisting of sodium dodecyl sulfate (SDS) and polyoxyethylene (23) dodecanol (Brij-35) as the mobile phase in reversed-phase liquid chromatography was studied. A group of chlorophenols was used as the test mixture. Adding organic modifier to the system showed that the use of low concentrations of organic additives improves efficiency in SDS/Brij-35 mixe...

Reversed-phase high-performance liquid chromatography.

Retention behavior of lipids in reversed-phase ultrahigh-performance liquid chromatography-electrospray ionization mass spectrometry.

Reversed-phase ultrahigh-performance liquid chromatography (RP-UHPLC) method using two 15cm sub-2μm particles octadecylsilica gel columns is developed with the goal to separate and unambiguously identify a large number of lipid species in biological samples. The identification is performed by the coupling with high-resolution tandem mass spectrometry (MS/MS) using quadrupole - time-of-flight (Q...