Solvation parameter model: Tutorial on its application to separation systems for neutral compounds

被引：41
作者：
Poole, Colin F. [1 ]
机构：
[1] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA
来源：
JOURNAL OF CHROMATOGRAPHY A | 2021年 / 1645卷
关键词：
Chromatography; Liquid-liquid partition; Quantitative structure-retention; relationships; System constants; Descriptors; System maps; GAS-CHROMATOGRAPHY; CONSTANT DATABASE; LIQUID; DESCRIPTORS; PARTITION; RETENTION; SOLVENT; CONSTRUCTION; SELECTIVITY;
D O I：
10.1016/j.chroma.2021.462108
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
The solvation parameter model affords a useful tool to model distribution properties of neutral compounds in biphasic separation systems. Common applications include column characterization and method development in gas chromatography; reversed-phase, micellar and hydrophilic interaction liquid chromatography; supercritical fluid chromatography; and micellar electrokinetic chromatography. The characterization of the distribution properties of liquid-liquid partition systems is another major application of this model. This tutorial is aimed at establishing good practices for the application of the model to separation systems. Suitable experimental protocols to determine system constants by multiple linear regression analysis and descriptors by the Solver method are presented; statistical tools to evaluate model quality are discussed; and model-specific data analysis tools based on system maps and correlation diagrams are described. (c) 2021 Elsevier B.V. All rights reserved.
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页数：12
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  • [31] Chromatographic test methods for characterizing alkylsiloxane-bonded silica columns for reversed-phase liquid chromatography
    Poole, Colin F.
    [J]. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2018, 1092 : 207 - 219
  • [32] Partition constant database for totally organic biphasic systems
    Poole, Colin F.
    [J]. JOURNAL OF CHROMATOGRAPHY A, 2017, 1527 : 18 - 32
  • [33] Applications of the solvation parameter model in reversed-phase liquid chromatography
    Poole, Colin F.
    Lenca, Nicole
    [J]. JOURNAL OF CHROMATOGRAPHY A, 2017, 1486 : 2 - 19
  • [34] Estimation of the environmental properties of compounds from chromatographic measurements and the solvation parameter model
    Poole, Colin F.
    Ariyasena, Thiloka C.
    Lenca, Nicole
    [J]. JOURNAL OF CHROMATOGRAPHY A, 2013, 1317 : 85 - 104
  • [35] Totally organic biphasic solvent systems for extraction and descriptor determinations
    Poole, Colin F.
    Karunasekara, Thushara
    Ariyasena, Thiloka C.
    [J]. JOURNAL OF SEPARATION SCIENCE, 2013, 36 (01) : 96 - 109
  • [36] Determination of solute descriptors by chromatographic methods
    Poole, Colin F.
    Atapattu, Sanka N.
    Poole, Salwa K.
    Bell, Andrea K.
    [J]. ANALYTICA CHIMICA ACTA, 2009, 652 (1-2) : 32 - 53
  • [37] Foundations of retention in partition chromatography
    Poole, Colin F.
    Poole, Salwa K.
    [J]. JOURNAL OF CHROMATOGRAPHY A, 2009, 1216 (10) : 1530 - 1550
  • [38] Quantitative structure-retention (property) relationships in micellar electrokinetic chromatography
    Poole, Salwa K.
    Poole, Colin F.
    [J]. JOURNAL OF CHROMATOGRAPHY A, 2008, 1182 (01) : 1 - 24
  • [39] Modelling methods and cross-validation variants in QSAR: a multi-level analysis
    Racz, A.
    Bajusz, D.
    Heberger, K.
    [J]. SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2018, 29 (09) : 661 - 674
  • [40] Determination of the solubilising character of 2-methoxyethyl(dimethyl) ethylammonium tris(pentafluoroethyl) trifluorophosphate based on the Abraham solvation parameter model
    Twu, Pamela
    Anderson, Jared L.
    Stovall, Dawn M.
    Zhang, Shoshana
    Dai, Colleen
    Schmidt, Amber
    Acree, William E., Jr.
    Abraham, Michael H.
    [J]. PHYSICS AND CHEMISTRY OF LIQUIDS, 2016, 54 (01) : 110 - 126
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