caa a22 4500 445801832 CHVBK 20180317145143.0 cr unu---uuuuu 170323e20110601xx s 000 0 eng 10.1007/s10337-011-1960-3 doi (NATIONALLICENCE)springer-10.1007/s10337-011-1960-3 Study of the Interactions of Ionic Liquids in IC by QSRR [Elektronische Daten] [S. Studzińska, M. Molíková, P. Kosobucki, P. Jandera, B. Buszewski] The nature of ionic liquids (ILs) facilitates their analysis by ion chromatography which, unlike conventional high-performance liquid chromatography, enables analysis both of cations and anions. This paper describes a pioneering ion-chromatographic investigation of IL cations and statistical evaluation of quantitative structure-retention relationships with the objective of predicting the molecular mechanism responsible for retention. Eleven ionic liquid imidazolium and pyridinium cations were analyzed on a CS15 cation-exchange column by isocratic elution with acetonitrile-methanesulfonic acid mixtures. Structural descriptors of the cations obtained from molecular modeling were used to describe their hydrophobicity as determined by chromatography. The most statistically significant were three-term QSRR regression equations relating log k w to analyte n-octanol-water partition coefficient (log P), dipole moment (μ), solvent accessible surface area (A SAS), and hydration energy (HE). They indicate the important role of both hydrophobic and polar the retention of ILs on the CS15 column. The Author(s), 2011 Ion chromatography nationallicence Ion-exchange nationallicence Quantitative structure-retention relationships (QSRR) nationallicence Ionic liquid cations nationallicence Molecular interactions nationallicence Hydrophobicity nationallicence Studzińska S. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarin St., 87-100, Toruń, Poland aut Molíková M. Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10, Pardubice, Czech Republic aut Kosobucki P. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarin St., 87-100, Toruń, Poland aut Jandera P. Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10, Pardubice, Czech Republic aut Buszewski B. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarin St., 87-100, Toruń, Poland aut Chromatographia Springer-Verlag 73(2011-06-01), 35-44 0009-5893 73<35 2011 73 10337 https://doi.org/10.1007/s10337-011-1960-3 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10337-011-1960-3 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Studzińska S. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarin St., 87-100, Toruń, Poland aut NATIONALLICENCE 700 1- Molíková M. Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10, Pardubice, Czech Republic aut NATIONALLICENCE 700 1- Kosobucki P. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarin St., 87-100, Toruń, Poland aut NATIONALLICENCE 700 1- Jandera P. Department of Analytical Chemistry, Faculty of Chemical Technology, University of Pardubice, Studentská 573, 532 10, Pardubice, Czech Republic aut NATIONALLICENCE 700 1- Buszewski B. Chair of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, 7 Gagarin St., 87-100, Toruń, Poland aut NATIONALLICENCE 773 0- Chromatographia Springer-Verlag 73(2011-06-01), 35-44 0009-5893 73<35 2011 73 10337 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer