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Application of Solvation Model to Prediction of the Solute Retention in Liquid Chromatography over a Wide Range of Mobile-Phase Compositions

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F16%3A10323054" target="_blank" >RIV/00216208:11310/16:10323054 - isvavai.cz</a>

  • Result on the web

    <a href="http://dx.doi.org/10.1556/1326.2016.28.1.06" target="_blank" >http://dx.doi.org/10.1556/1326.2016.28.1.06</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1556/1326.2016.28.1.06" target="_blank" >10.1556/1326.2016.28.1.06</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Application of Solvation Model to Prediction of the Solute Retention in Liquid Chromatography over a Wide Range of Mobile-Phase Compositions

  • Original language description

    Possibilities have been studied of using a solvation model to predict the retention behavior of solutes in liquid chromatography mobile phases of water-acetonitrile and water-methanol with the organic solvent content varying from 1 to 100 vol%. Twenty-one test solutes, both aliphatic and aromatic compounds, have been selected on the basis of two-level factorial designs. Using the multiple linear regression analysis, regression coefficients, which are characteristics of the stationary and mobile-phase system, were calculated for different mobile phases in the solvation model. Regression coefficients have been used for the prediction of the retention behavior. Unbiased results have been obtained by using two sets, one training and the other the testing set. The predicted retention has been compared with the experimental data. The methanol-water system provided good results at low and medium methanol concentrations; the retention prediction was unsatisfactory for mobile phases containing more than 90% of methanol. The acetonitrile-water system yielded similar results, but the retention prediction ceased to be at acetonitrile concentrations greater than 80%. The retention has primarily been determined by cohesive and acid-base interactions. The dependences of the regression coefficients on the mobile-phase composition were similar for the acetonitrile-water and methanol-water systems.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CB - Analytical chemistry, separation

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2016

  • Confidentiality

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

Data specific for result type

  • Name of the periodical

    Acta Chromatographica

  • ISSN

    1233-2356

  • e-ISSN

  • Volume of the periodical

    28

  • Issue of the periodical within the volume

    1

  • Country of publishing house

    PL - POLAND

  • Number of pages

    20

  • Pages from-to

    59-78

  • UT code for WoS article

    000372471900006

  • EID of the result in the Scopus database

    2-s2.0-84961700405