A stepwise strategy employing automated screening and DryLab modeling for the development of robust methods for challenging high performance liquid chromatography separations: A case study

Jayaraman, K. S.; Alexander, A. J.; Y, Hu; Tomasella, Frank P.

doi:10.1016/j.aca.2011.04.010

Cited by 25 publications

(8 citation statements)

References 12 publications

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“…Tuning the retention and separation selectivity of analytes by matching the qualitative and quantitative composition of a mobile phase is the important advantage of HPLC. In spite of over 40 years' development of HPLC [1, 2] and progress in computer simulation of its process [3, 4], also based on molecular interactions [5], some aspects of the chromatographic process raise questions, particularly those concerning prediction of the retention and improvement of separation selectivity of solutes in reversed-phase systems. Therefore, a simple approach that enables interpretation of retention changes and putting forward clear conclusions is much desired.…”

Section: Introductionmentioning

confidence: 99%

Comparison of the Retention of Aliphatic Hydrocarbons with Polar Groups in RP-HPLC Systems with Different Modifiers of the Binary Eluent

2013

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The retention of aliphatic hydrocarbons with polar groups has been compared in respect to the separation selectivity changes in reversed-phase high-performance liquid chromatography with C18 stationary phase type and binary water eluent composed of methanol, acetonitrile, or tetrahydrofuran as modifiers. The changes in separation selectivity when one modifier is replaced by another in the eluent is explained, taking into consideration molecular interactions of the solutes with components of the stationary phase region, i.e., extracted modifier, and ordering of the stationary phase by the modifier.

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Section: Introductionmentioning

confidence: 99%

Comparison of the Retention of Aliphatic Hydrocarbons with Polar Groups in RP-HPLC Systems with Different Modifiers of the Binary Eluent

2013

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“…step 1 of the LC method development strategy described in the Introduction) established protocols for retention modelling and optimisation (i.e. step 2) were employed to develop robust LC methodologies [39][40][41][42][43][44][45]. Retention modelling and optimisation using the DryLab® software was performed with an UHPLC system capable of operating at 1,200 bar of pressure and possessing a low dwell volume and system dispersion volume suitable for use with rapid column formats (i.e.…”

Section: Retention Modelling and Optimisationmentioning

confidence: 99%

Chromatographic retention behaviour, modelling and separation optimisation of the quaternary ammonium salt isometamidium chloride and related compounds on a range of reversed-phase liquid chromatographic stationary phases

Schad

Euerby²,

Skellern

et al. 2012

Anal Bioanal Chem

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This paper describes the reversed-phase liquid chromatographic behaviour of the trypanocidal quaternary ammonium salt isometamidium chloride and its related compounds on a range of liquid chromatographic phases possessing alkyl and phenyl ligands on the same inert silica. In a parallel study with various extended polar selectivity phases which possessed different hydrophobic/silanophilic (hydrogen bonding) activity ratios, the chromatographic retention/selectivities of the quaternary ammonium salts was shown to be due to a co-operative mechanism between hydrophobic and silanophilic interactions. The highly aromatic and planar isometamidium compounds were found to be substantially retained on stationary phases containing aromatic functionality via strong π-π interactions. The chemometric approach of principal component analysis was used to characterise the chromatographic behaviour of the isometamidium compounds on the differing phases and to help identify the dominant retention mechanism(s). Two-dimensional (temperature/gradient) retention modelling was employed to develop and optimise a rapid liquid chromatography method for the separation of the six quaternary ammonium salts within 2.5 min which would be suitable for bioanalysis using liquid chromatography-mass spectrometry. This is the first reported systematic study of the relationship between stationary phase chemistries and retention/selectivity for a group of quaternary ammonium salts.

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“…If a simple linear gradient from x% to y% B does not provide a satisfactory separation, it needs to be improved, which can be time-consuming even for experienced analysts. Computer simulation software is an almost indispensable help (Jayamaran et al, 2011). Although most gradient separations are performed with two eluents, it is possible to use three or even four different ones for very demanding analytical problems with a large number of different classes of compounds.…”

Section: Gradient Elutionmentioning

confidence: 99%

High Pressure Liquid Chromatography and Ultra‐high Pressure Liquid Chromatography of Plants: Basic Concepts

Meyer

2014

Encyclopedia of Analytical Chemistry

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High‐performance liquid chromatography (HPLC) is an essential method in plant analysis. Although it is primarily a separation method, it offers also the possibility of on‐line quantitative analysis during the separation. It can be used for both, the investigation of classes of compounds as well as of individual substances. HPLC is an instrumental method of great flexibility with regard to the separation conditions and to the detection principle. In any case, high pressure is needed; conventional HPLC acts up to about 350 bar. As the available pressure limits the speed of analysis and its separation power, the more recent technology of ultra high‐performance liquid chromatography (UHPLC) works at pressures up to 1000 bar. It allows very fast analyses or high peak capacity (i.e., the number of resolved compounds) or a combination of both demands. The separation environment can be aqueous, for example, in reversed‐phase or ion‐exchange HPLC, or nonpolar with organic solvents in adsorption chromatography, thus allowing a great choice of investigative principles.

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A stepwise strategy employing automated screening and DryLab modeling for the development of robust methods for challenging high performance liquid chromatography separations: A case study

Cited by 25 publications

References 12 publications

Comparison of the Retention of Aliphatic Hydrocarbons with Polar Groups in RP-HPLC Systems with Different Modifiers of the Binary Eluent

Comparison of the Retention of Aliphatic Hydrocarbons with Polar Groups in RP-HPLC Systems with Different Modifiers of the Binary Eluent

Chromatographic retention behaviour, modelling and separation optimisation of the quaternary ammonium salt isometamidium chloride and related compounds on a range of reversed-phase liquid chromatographic stationary phases

High Pressure Liquid Chromatography and Ultra‐high Pressure Liquid Chromatography of Plants: Basic Concepts

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