↓ Skip to main content

Chromatographic retention behaviour of monosubstituted benzene derivatives on porous graphitic carbon and octadecyl-bonded silica studied using molecular modelling and quantitative structure–retention…

Overview of attention for article published in Journal of Chromatography A, January 2012
Altmetric Badge

Citations

dimensions_citation
18 Dimensions

Readers on

mendeley
32 Mendeley
You are seeing a free-to-access but limited selection of the activity Altmetric has collected about this research output. Click here to find out more.
Title
Chromatographic retention behaviour of monosubstituted benzene derivatives on porous graphitic carbon and octadecyl-bonded silica studied using molecular modelling and quantitative structure–retention relationships
Published in
Journal of Chromatography A, January 2012
DOI 10.1016/j.chroma.2011.12.090
Pubmed ID
Authors

Cristina I. De Matteis, David A. Simpson, Melvin R. Euerby, P. Nicholas Shaw, David A. Barrett

Abstract

The retention behaviour of a series of 28 monosubstituted benzenes, representing a diverse range of functional groups and substituent shape, were investigated using porous graphitic carbon (PGC) and octadecyl-bonded silica (ODS) stationary phases. For the majority of analytes retention on PGC was greater than on ODS, and in most cases this effect occurred at both pH 2.5 and 7.0. The main trends observed on PGC (in comparison with ODS) were: (i) similar or reduced retention of low polarity molecules such as the hydrocarbon and halogenated analytes; (ii) increased retention of conjugated analytes with extended planarity; (iii) increased retention of polar and charged species; and (iv) substantial increases in retention for selected polar and negatively charged analytes, including some ionised and unionised acid analytes. Poor retention of positively charged analytes was observed on both stationary phases. Molecular modelling studies have explored the geometry of π-π stacking interactions in retention on PGC and have highlighted the strong retention of large conjugated analytes, with extended planar conformations, which can interact with the graphite surface with cofacial geometry. Quantitative structure-retention relationships showed the importance of hydrophobic (π) and electronic factors (e.g. mean polarisability and LUMO energy) in retention on PGC, whilst retention on ODS was correlated to hydrophobicity (logP and π).

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 32 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 2 6%
Brazil 1 3%
Unknown 29 91%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 9 28%
Researcher 5 16%
Professor 3 9%
Student > Master 3 9%
Student > Bachelor 2 6%
Other 5 16%
Unknown 5 16%
Readers by discipline Count As %
Chemistry 17 53%
Biochemistry, Genetics and Molecular Biology 2 6%
Pharmacology, Toxicology and Pharmaceutical Science 1 3%
Physics and Astronomy 1 3%
Engineering 1 3%
Other 0 0%
Unknown 10 31%