Study of the interactions of ionic liquids in IC by QSRR

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F11%3A39892647" target="_blank" >RIV/00216275:25310/11:39892647 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s10337-011-1960-3" target="_blank" >http://dx.doi.org/10.1007/s10337-011-1960-3</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s10337-011-1960-3" target="_blank" >10.1007/s10337-011-1960-3</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Study of the interactions of ionic liquids in IC by QSRR

Popis výsledku v původním jazyce

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 kw to analyte n-octanol-water partition coefficient (log P), dipole moment (l), solvent accessible surface area (ASAS), and hydration energy (HE).

Název v anglickém jazyce

Study of the interactions of ionic liquids in IC by QSRR

Popis výsledku anglicky

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 kw to analyte n-octanol-water partition coefficient (log P), dipole moment (l), solvent accessible surface area (ASAS), and hydration energy (HE).

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CB - Analytická chemie, separace

OECD FORD obor

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Projekt

—

Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2011

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Chromatographia

ISSN

0009-5893

e-ISSN

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Svazek periodika

73

Číslo periodika v rámci svazku

—

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

10

Strana od-do

"'S35'"-"'S44'"

Kód UT WoS článku

000290804900005

EID výsledku v databázi Scopus

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