Abstract
Chromatographic separation of enantiomers to assure or enhance chiral purity is of considerable importance and can be achieved by the use of selectors of great structural variety. Cyclodextrins are an important and frequently used class, and they are multimodal selectors since multiple chiral interactions are possible by very different mechanisms. Here, the results of a preliminary examination on the possible value of computational molecular modeling approaches for the predictability of cyclodextrin selector effects for compounds that possess both geometrical and optical isomerism are presented. Interactions between various cyclodextrins and pyrethroic acids are modeled, interpreted, and compared to experimental capillary electrophoresis data.
| Original language | English |
|---|---|
| Pages (from-to) | 1276-1282 |
| Number of pages | 7 |
| Journal | Journal of Biochemical and Biophysical Methods |
| Volume | 70 |
| Issue number | 6 |
| DOIs | |
| State | Published - Apr 24 2008 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Biochemistry
- Biophysics
Cite this
Structural studies on the chiral selector capacity of cyclodextrin derivatives. / Tokés, Béla; Ferencz, László; Buchwald, Peter; Donáth-Nagy, Gabriella; Vancea, Szende; Sánta, Nándor; Kis, Erika Lilla.
In: Journal of Biochemical and Biophysical Methods, Vol. 70, No. 6, 24.04.2008, p. 1276-1282.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Structural studies on the chiral selector capacity of cyclodextrin derivatives.
AU - Tokés, Béla
AU - Ferencz, László
AU - Buchwald, Peter
AU - Donáth-Nagy, Gabriella
AU - Vancea, Szende
AU - Sánta, Nándor
AU - Kis, Erika Lilla
PY - 2008/4/24
Y1 - 2008/4/24
N2 - Chromatographic separation of enantiomers to assure or enhance chiral purity is of considerable importance and can be achieved by the use of selectors of great structural variety. Cyclodextrins are an important and frequently used class, and they are multimodal selectors since multiple chiral interactions are possible by very different mechanisms. Here, the results of a preliminary examination on the possible value of computational molecular modeling approaches for the predictability of cyclodextrin selector effects for compounds that possess both geometrical and optical isomerism are presented. Interactions between various cyclodextrins and pyrethroic acids are modeled, interpreted, and compared to experimental capillary electrophoresis data.
AB - Chromatographic separation of enantiomers to assure or enhance chiral purity is of considerable importance and can be achieved by the use of selectors of great structural variety. Cyclodextrins are an important and frequently used class, and they are multimodal selectors since multiple chiral interactions are possible by very different mechanisms. Here, the results of a preliminary examination on the possible value of computational molecular modeling approaches for the predictability of cyclodextrin selector effects for compounds that possess both geometrical and optical isomerism are presented. Interactions between various cyclodextrins and pyrethroic acids are modeled, interpreted, and compared to experimental capillary electrophoresis data.
UR - http://www.scopus.com/inward/record.url?scp=48649109119&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=48649109119&partnerID=8YFLogxK
U2 - 10.1016/j.jprot.2007.12.011
DO - 10.1016/j.jprot.2007.12.011
M3 - Article
C2 - 18280575
AN - SCOPUS:48649109119
VL - 70
SP - 1276
EP - 1282
JO - Journal of Proteomics
JF - Journal of Proteomics
SN - 1874-3919
IS - 6
ER -