Quantitative structure-retention chromatography

Detroyer, A., VanderHeyden, Y., Cardo-Broch, S., Garda-Alvarez-Coque, M. C., Massart, D. L Quantitative structure-retention and retention-activity relationships of 3-blocking agents by micellar liquid chromatography. 

D., Balahan, A. T. Comparison of weighting schemes for molecular graph descriptors application in quantitative structure-retention relationship models for alkylphenols in gas-liquid chromatography. J. Chem. Inf. Comput. Sci. 2000, 40, ITl-lM,. 

Kaliszan, R. Quantitative-structure-retention relationships applied to reversed-phase high-performance liquid chromatography. J. Chromatogr. 1993,... 

Kaliszan, R., Baczek, T., Cimochowska, A., Juszczyk, P., Wisniewska, K., Grzonka, Z. Prediction of high-performance liquid chromatography retention of peptides with the use of quantitative structure-retention relatiorrships. Proteomics 2005, 5, 409 15. 

Law, B. and Weir, S., Quantitative structure-retention relationships for secondary interactions in cation-exchange liquid chromatography, ]. Chromatogr. A, 657, 17, 1993. 

T. Baczek and R. Kaliszan, Combination of linear solvent strength model and quantitative structure-retention relationships as a comprehensive procedure of approximate prediction of retention in gradient liquid chromatography. J. Chromatogr.A 962 (2002) 41-55. 

Quantitative Structure-Retention Relationships in Reversed-phase Liquid Chromatography... 

A quantitative analysis of the structure-retention relationship can be derived by using the relative solubility of solutes in water. One parameter is the partition coefficient, log P, of the analyte measured as the octanol-water partition distribution. In early work, reversed-phase liquid chromatography was used to measure log P values for drug design. Log P values were later used to predict the retention times in reversed-phase liquid chromatography.The calculation of the molecular properties can be performed with the aid of computational chemical calculations. In this chapter, examples of these quantitative structure-retention relationships are described. 

Y. V. Gankin, A. E. Gorshteyn and A. Robbat-Jr, Identification of PCB congeners by gas chromatography electron capture detection employing a quantitative structure-retention model , Anal. Chem. 67 2548-2555 (1995). 

Quantitative structure-retention relationships (QSSRs) have been established for polychlorinated dibenzofurans to assist their determination by gas chromatography (GC) <2002MI7, 2003ANC1049, 2005MI1683>. 

R. Kaliszan,M. A. van Straten,M. Markuszewski, C. A. Cramers and H. A. Claessens, Molecular mechanism of retention in reversed-phase high-performance liquid chromatography and classification of modern stationary phases by using quantitative structure-retention relationships,/. Chromatogr. A 855 (1999),455-486. 

Quantitative Structure-Retention Relationship in Thin-Layer Chromatography... 

The study of quantitative structure-retention relationships (QSRRs) is one of the most important theoretical fields of chromatography it has become a new investigation branch of chromatographic science. 

Quantitative structure-retention relationships studies are widely investigated in high-performance liquid chromatography (HPLC), gas chromatography (GC), and thin-layer chromatography (TLC). Recently, QSRR studies in TLC have attracted more and more researchers [1], It is known that TLC has some advantages It is rapid, relatively simple, low cost, and easy to operation, there is a wide choice of adsorbents and solvents, and very small amounts of substance are needed. In this entry, the establishment and apphca-tion of QSRR studies are reviewed. 

Azzaoui, K. and Morinallory, L. (1995b). Quantitative Structure-Retention Relationships for the Investigation of the Retention Mechanism in High Performance Liquid Chromatography Using Apolar Eluent with a Very Low Content of Polar Modifiers. Chromatographia, 40, 690-696. 

Kaliszan, R., Kaliszan, A., Noctor, T.A., Purcell, W.P. and Wainer, I.W. (1992a). Mechanism of Retention of Benzodiazepines in Affinity, Reversed Phase and Adsorption High Performance Liquid Chromatography in View of Quantitative Structure-Retention Relationships. J.Chro-mat., 609,69-81. 

Kaliszan, R. (1993). Quantitative Structure Retention Relationships Applied to Reversed Phase High Performance Liquid Chromatography. J.Chromat., 656A, 417-435. 

Aschi, M., D Archivio, A.A., Maggi, M.A., Mazzeo, P. and Ruggieri, F. (2007) Quantitative structure-retention relationships of pesticides in reversed-phase high-performance liquid chromatography. Anal. Chim. Aaa, 582, 235-242. 

Hodjmohammadi, M.R., Ebrahimi, P. and Pourmorad, E. (2004) Quantitative structure-retention relationships (QSRR) of some CNS agents studied on DB-5 and DB-17 phases in gas chromatography. QSAR Comb. Sci., 23, 295-302. 

Jiskra, J., Claessens, H.A., Cramers, C.A. and Kaliszan, A. (2002) Quantitative structure-retention relationships in comparative studies of behavior of stationary phases under high-performance liquid chromatography and capillary electrochromatography conditions. /. Chromat., 977, 193-206. 

Olivero, J. and Kannan, K. (1999) Quantitative structure-retention relationships of polychlorinated naphthalenes in gas chromatography. J. Chromat., 849, 621-627. 

Zhai, Z., Wang, Z.-Y. and Chen, S.-D. (2006) Quantitative structure-retention relationship for gas chromatography of polychlorinated naphthalenes by ah initio quantum mechanical calculations and a Cl substitution position method. QSAR Comb. Sci., 25, 7-14. 

ASSESSMENT OF SOLUTE-MICELLE INTERACTIONS IN ELECTROKINETIC CHROMATOGRAPHY USING QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIPS... 

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