Methodological Approaches to the Calculation and Prediction of Retention Indices in Capillary Gas Chromatography

被引:20
|
作者
Zhokhov, A. K. [1 ]
Loskutov, A. Yu. [1 ]
Rybal'chenko, I. V. [2 ]
机构
[1] Minist Def Russian Federat, Cent Res & Testing Inst 33, Volsk 412918 18, Saratov Oblast, Russia
[2] Minist Def Russian Federat, Sci Ctr 27, Moscow 105005, Russia
关键词
gas chromatography; retention indices; additive models; prediction; molecular descriptor; QSPR; structure-property relationship; SEMIEMPIRICAL TOPOLOGICAL METHOD; NORMAL BOILING POINTS; DIBENZO-P-DIOXINS; CHARAKTERISIERUNG ORGANISCHER VERBINDUNGEN; QUANTUM-CHEMICAL DESCRIPTORS; MULTIPLE LINEAR-REGRESSION; SUPPORT VECTOR MACHINES; QUANTITATIVE STRUCTURE; STATIONARY PHASES; DIFFERENT POLARITY;
D O I
10.1134/S1061934818030127
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
The scientific achievements in the field of calculation and prediction of gas chromatographic indices of retention of organic compounds on standard nonpolar polydimethylsiloxane stationary phases of capillary chromatographic columns are analyzed. Approaches based on the study of correlation dependences with the use of physicochemical, fragment, and quantum-chemical descriptors, topological indices, and various additive models are described.
引用
收藏
页码:207 / 220
页数:14
相关论文
共 50 条
  • [21] Prediction of gas chromatographic retention indices of coumarins
    Soares, MD
    Delle Monache, F
    Heinzen, VEF
    Yunes, RA
    JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY, 1999, 10 (03) : 189 - 196
  • [22] The use of a nonlinear equation for calculation of the retention indices of polar substances in gas chromatography with linear temperature programming
    Golovnya, RV
    Samusenko, AL
    Kuz'menko, TE
    RUSSIAN CHEMICAL BULLETIN, 2001, 50 (06) : 1027 - 1031
  • [23] Bezier curves for the calculation of retention indices in temperature-programmed gas-liquid chromatography.
    Lourici, L
    Souici, ML
    Messadi, D
    COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE, 2000, 3 (04): : 309 - 312
  • [24] The use of a nonlinear equation for calculation of the retention indices of polar substances in gas chromatography with linear temperature programming
    R. V. Golovnya
    A. L. Samusenko
    T. E. Kuz"menko
    Russian Chemical Bulletin, 2001, 50 : 1027 - 1031
  • [25] Classification and Prediction of Retention Indices in One-Dimensional Capillary Gas Chromatographic Separation of Petroleum Hydrocarbons
    Moustafa, Nagy Emam
    Mahmoud, Kout El kloub Fars
    CHROMATOGRAPHIA, 2010, 72 (9-10) : 905 - 912
  • [26] Classification and Prediction of Retention Indices in One-Dimensional Capillary Gas Chromatographic Separation of Petroleum Hydrocarbons
    Nagy Emam Moustafa
    Kout El kloub Fars Mahmoud
    Chromatographia, 2010, 72 : 905 - 912
  • [27] PREDICTION OF RETENTION INDEXES OF THIOLS AND SULFIDES UNDER DIFFERENT CONDITIONS OF CAPILLARY GAS-CHROMATOGRAPHY
    MORISHITA, F
    MURAKITA, H
    KOJIMA, T
    BUNSEKI KAGAKU, 1985, 34 (12) : 800 - 802
  • [28] Artificial neural network and topological indices to predict retention indices in gas chromatography
    Batouche, S.
    Rebbani, N.
    Gheid, A.
    ASIAN JOURNAL OF CHEMISTRY, 2006, 18 (04) : 2623 - 2636
  • [29] The influence of the carrier gas on retention in capillary gas-solid chromatography
    Berezkin, VG
    Malyukova, IV
    Alishoev, VR
    deZeeuw, J
    HRC-JOURNAL OF HIGH RESOLUTION CHROMATOGRAPHY, 1996, 19 (05): : 272 - 276
  • [30] THE CALCULATION PROGRAM OF RETENTION INDEX IN GAS-CHROMATOGRAPHY
    SUGISAWA, H
    TAMURA, H
    NAKAHARA, K
    JOURNAL OF THE JAPANESE SOCIETY FOR FOOD SCIENCE AND TECHNOLOGY-NIPPON SHOKUHIN KAGAKU KOGAKU KAISHI, 1988, 35 (10): : 709 - 712