http://www.cnr.it/ontology/cnr/individuo/prodotto/ID273202
Comparative HPLC enantioseparation of thirty-six aromatic compounds on four columns of the Lux series: Impact of substituents, shapes and electronic properties (Articolo in rivista)
- Type
- Label
- Comparative HPLC enantioseparation of thirty-six aromatic compounds on four columns of the Lux series: Impact of substituents, shapes and electronic properties (Articolo in rivista) (literal)
- Anno
- 2013-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1002/chir.22202 (literal)
- Alternative label
Peluso P., Cossu S. (2013)
Comparative HPLC enantioseparation of thirty-six aromatic compounds on four columns of the Lux series: Impact of substituents, shapes and electronic properties
in Chirality (N.Y.N.Y., Online)
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Peluso P., Cossu S. (literal)
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- http://onlinelibrary.wiley.com/doi/10.1002/chir.22202/abstract (literal)
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- Note
- ISI Web of Science (WOS) (literal)
- Scopu (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- 1) Istituto di Chimica Biomolecolare, ICB-CNR UOS di Sassari;
2) Università Ca' Foscari di Venezia, Dipartimento di Scienze Molecolari e Nanosistemi (literal)
- Titolo
- Comparative HPLC enantioseparation of thirty-six aromatic compounds on four columns of the Lux series: Impact of substituents, shapes and electronic properties (literal)
- Abstract
- With the aim to define a combined computational/chromatographic empirical
approach useful for the high-performance liquid chromatography (HPLC) method development
of new chiral compounds, 36 racemic aromatic compounds with different chemical structures
were used as test probes on four polysaccharide-based chiral stationary phases (CSPs) of the
Lux series, namely Lux Cellulose-1, Lux Cellulose-2, Lux Cellulose-4, and Lux Amylose-2, using
classical n-hexane/2-propanol mixtures as mobile phase. Electrostatic potential surfaces (EPSs)
determined using Density Functional Theory (DFT) calculations were used to derive size, shape,
and electronic properties of each analyte. Then a comparative HPLC screening was carried out in
order to evaluate the impact of substituents, shapes, and electronic properties of the analytes on
the chromatographic behavior as the column changes. The four CSPs showed good complementary
recognition ability. The elution sequence was determined in 30 cases out of 36. The success rate to
afford baseline separations (Rs > ?1.5) was estimated: 29 compounds out of 36 showed baseline
enantioseparation on at least one of the four selected CSPs. The combined computationalchromatographic
screening furnished useful collective structure-chromatographic behavior relationships
and a map of the chiral discrimination abilities of the considered CSPs towards the analytes.
On this basis, the chromatographic behavior of new analytes on a set of polysaccharide-based CSPs
can be mapped through the qualitative correlation of chromatographic parameters (k, a, Rs) to
computed molecular properties of the analytes. (literal)
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