Quantitative Structure-Retention Relationships
作者： Károly Héberger
DOI: 10.1016/B978-0-12-385540-4.00019-5
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摘要: Quantitative structure - (gas chromatographic) retention relationships are surveyed with particular emphasis on (i) prediction of data (indices); (ii) history; (iii) discussion the most frequent errors made by authors (analysis reviewer's reports: lack novelty, proper validation; (iv) recent developments from period August 2006 – July 2011. Nonlinear and ranking various models highlighted. How to check models, splits for training test sets given using sum differences methodology.
sci-hub.se 参考文章(169)
Jesús Eduardo Quintanilla-López, Rosa Lebrón-Aguilar, José Antonio Garcı́a-Domı́nguez, Hold-up time in gas chromatography. V. Dependence of the retention of n-alkanes on the chromatographic variables in isothermal gas chromatography. Journal of Chromatography A. ,vol. 878, pp. 125- 135 ,(1998) , 10.1016/S0021-9673(00)00243-0
Harald Rotzsche, Stationary Phases in Gas Chromatography ,(2011)
N. Dimov, A. Osman, Ov. Mekenyan, D. Papazova, Selection of molecular descriptors used in quantitative structure-gas chromatographic retention relationships: I. Application to alkylbenzenes and naphthalenes Analytica Chimica Acta. ,vol. 298, pp. 303- 317 ,(1994) , 10.1016/0003-2670(94)00280-0
Reynaldo César Castells, Angel Miguel Nardillo, Eleuterio Luis Arancibia, Mario Raúl Delfino, Solution and adsorption thermodynamics in propylene glycol by gas chromatography : A comparative study with other polyhydroxylated solvents Journal of Chromatography A. ,vol. 259, pp. 413- 422 ,(1983) , 10.1016/S0021-9673(01)88029-8
M. Gassiot, E. Fernandez, G. Firpo, R. Carbó, M. Martin, Empirical quantum chemical approach to structure-gas chromatographic retention index relationships : I. Sterol acetates Journal of Chromatography A. ,vol. 108, pp. 337- 344 ,(1975) , 10.1016/S0021-9673(00)84677-4
Samir Ghodbane, Ghassan A. Oweimreen, Daniel E. Martire, Thermodynamics of solution of non-mesomorphic solutes at infinite dilution in the smectic-A, nematic and isotropic phases of p-n-octyl-p′-cyanobiphenyl Journal of Chromatography A. ,vol. 556, pp. 317- 330 ,(1991) , 10.1016/S0021-9673(01)96230-2
A. T. James, A. J. P. Martin, Gas-liquid partition chromatography: the separation and micro-estimation of volatile fatty acids from formic acid to dodecanoic acid Biochemical Journal. ,vol. 50, pp. 679- 690 ,(1952) , 10.1042/BJ0500679
Károly Héberger, Identification of C5H8 isomers through reactions of singlet methylene, CH2(ã1A1), with unsaturated hydrocarbons using capillary gas chromatography-mass spectrometry Analyst. ,vol. 115, pp. 725- 729 ,(1990) , 10.1039/AN9901500725
K. Héberger, Discrimination between linear and non-linear models describing retention data of alkylbenzenes in gas-chromatography Chromatographia. ,vol. 29, pp. 375- 384 ,(1990) , 10.1007/BF02261306
Lutgarde. Buydens, D. L. Massart, Prediction of gas chromatography retention indexes from linear free energy and topological parameters Analytical Chemistry. ,vol. 53, pp. 1990- 1993 ,(1981) , 10.1021/AC00236A010