By a News Reporter-Staff News Editor at Science Letter -- New research on Electrokinetics is the subject of a report. According to news originating from Burjassot, Spain, by NewsRx correspondents, research stated, "Despite the fact that extensive research in the field of enantioseparations by capillary electrophoresis has been carried out, it is difficult to predict whether a concrete chiral selector would be useful for the separation of a racemic compound. Hence, several experimental effort is necessary to test the abilities of individual chiral selectors, usually by trial and error procedures."
Our news journalists obtained a quote from the research from the University of Valencia, "Thus, the enantioseparation of a new racemate becomes a time- and money-consuming task. In this work, the ability of highly sulfated beta-cyclodextrin (HS-beta-CD) as chiral selector in electrokinetic chromatography (EKC) is modeled for the first time, using exclusively directly-available structural data of forty compounds (structurally unrelated basic drugs and pesticides). A discriminant partial least squares (PLS)-based quantitative structure-property relationship (QSPR) approach is simplified, resulting in a consistent, predictive and descriptive model. It is converted into an explicit equation able to predict the enantioresolution level (Rs) of new compounds, from four structure properties available in an on-line open database: logarithm of octanol-water partition coefficient estimated at pH 7.4 (IgD), polar surface area (PSA), number of hydrogen bond donors (HBD) and acceptors (HBA)."
According to the news editors, the research concluded: "For the cases in which the model predicts good Rs only in concrete experimental conditions, a Box-Behnken experimental design is proposed for the fast PLS-based optimization of the most influential experimental variables: cyclodextrin concentration, temperature and pH."
For more information on this research see: Modeling the chiral resolution ability of highly sulfated beta-cyclodextrin for basic compounds in electrokinetic chromatography. Journal of Chromatography A, 2013;1308():152-160. Journal of Chromatography A can be contacted at: Elsevier Science Bv, PO Box 211, 1000 Ae Amsterdam, Netherlands. (Elsevier - www.elsevier.com; Journal of Chromatography A - www.elsevier.com/wps/product/cws_home/502688)
The news correspondents report that additional information may be obtained from L. Asensi-Bernardi, University of Valencia, Valencia Polytechnic University, Unidad Mixta, Center Interuniv Reconocimiento Mol & Desarrollo Tec, E-46100 Burjassot, Valencia, Spain. Additional authors for this research include L. Escuder-Gilabert, Y. Martin-Biosca, M.J. Medina-Hernandez and S. Sagrado (see also Electrokinetics).
Keywords for this news article include: Spain, Europe, Burjassot, Nanotechnology, Electrokinetics, Emerging Technologies
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