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  • 1
    Electronic Resource
    Electronic Resource
    Microcomputer-assisted retention prediction system in reversed-phase HPLC (1984)
    Springer
    Chromatographia 18 (1984), S. 211-215 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Alkylbenzenes ; PAHs ; Retention prediction ; Microcomputer
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The microcomputer-assisted retention prediction system in C18 reversed-phase HPLC is described. The system is based on the use of the hydrophobic parameter and the correlation factor of alkylbenzenes and polycyclic aromatic hydrocarbons (PAHs) which are highly correlated to their retention in reversed-phase HPLC. The system is evaluated by comparing the retention data between measured and predicted values. One of the typical examples applied for PAH analysis in the extracts of diesel particulate matter shows the high potential of the system investigated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02276735
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  • 2
    Electronic Resource
    Electronic Resource
    Retention prediction of phenylthiohydantoin amino acid derivatives in reversed-phase liquid chromatography (1985)
    Springer
    Chromatographia 20 (1985), S. 743-746 
    Details
    ISSN: 1612-1112
    Keywords: Reversed-phase column liquid chromatography ; Retention prediction ; Phenylthiohydantoin-amino acid derivatives ; Retention-solubility parameter, R
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The concept of retention prediction for the separation of phenylthiohydatoin-amino acid derivatives in isocratic reversed-phase liquid chromatography is described. A novel retention-solubility parameter, R, is defined, for the retention prediction strategy and the performance of this R value is evaluated by comparing measured and predicted retention data. Excellent agreement between these values were observed. It is concluded that the R value has a very high potential in describing the retention of phenylthiohydantopinamino acid derivatives withdifferent types of separation systems consisting of C-18, C-8 and phenethyl bonded stationary phases and various mobile phases.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02282935
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  • 3
    Electronic Resource
    Electronic Resource
    A microcomputer-assisted retention prediction with gradient elution in reversed-phase liquid chromatography (1986)
    Springer
    Chromatographia 21 (1986), S. 541-545 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Retention prediction ; Reversed phase gradient elution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary In order to improve computer optimization techniques in liquid chromatography such as the Simplex methods, an alternative approach using retention prediction based on quantitative structure-retention relationships studies is proposed for gradient elution in the reversed-phase separation mode. With physico-chemical parameters of the solutes used as the descriptors, the microcomputer-assisted system can predict their retention within 10% relative error under the appropriate experimental conditions. In this process, no pure substances are required to predict their retention.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02310543
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  • 4
    Electronic Resource
    Electronic Resource
    Retention prediction of substituted benzenes in reversed-phase HPLC (1984)
    Springer
    Chromatographia 18 (1984), S. 90-95 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Reversed phase ; Retention prediction ; Substituted benzenes ; Molecular parameters
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The separation of substituted benzene derivaties on a reversed-phase C-18 column has been examined. The correlations between the logarithm of the capacity factor and several descriptors indicating the molecular size, shape and the physical properties of a solute were determined. The results indicated that hydrophobicity is the dominant factor to control the retention of substituted benzenes. Their retention in reversed-phase HPLC can be predicted with help of the equations derived by multicombination of the parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02268464
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  • 5
    Electronic Resource
    Electronic Resource
    Computer interactive identification system for polycyclic aromatic hydrocarbons in reversed-phase microcolumn liquid chromatography (1986)
    Springer
    Chromatographia 21 (1986), S. 622-626 
    Details
    ISSN: 1612-1112
    Keywords: Polycyclic aromatic hydrocarbons ; Reversed-phase liquid chromatography ; Computer interactive identification system ; Retention prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A computer interactive identification system is proposed which is based on the relationship between retention and molecular properties such as the size and shape of polycyclic aromatic hydrocarbons (PAHs). This system offers an automatic analytical process for liquid chromatography, providing a reliable identification of the separated components. The identification can be further enhanced by the use of multiple detectors such as a multichannel UV detector. The system can be used for optimization procedures, resulting in a highly automatic complex analytical system.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02311915
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  • 6
    Electronic Resource
    Electronic Resource
    Retention prediction of small peptides in reversed-phase liquid chromatography (1988)
    Springer
    Chromatographia 25 (1988), S. 613-617 
    Details
    ISSN: 1612-1112
    Keywords: Reversed-phase liquid chromatography ; Retention prediction ; Peptides ; Amino acids contribution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Retention prediction of small peptides (up to four residues) in reversed-phase liquid chromatography has been investigated, considering the contributions of side chains in each position to the peptide retention. In isocratic elution the retention of peptides could be predicted within about 8% relative error.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02327657
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  • 7
    Electronic Resource
    Electronic Resource
    Retention prediction of o-phthalaldehyde amino acid derivatives in reversed-phase liquid chromatography (1987)
    Springer
    Chromatographia 23 (1987), S. 675-679 
    Details
    ISSN: 1612-1112
    Keywords: Reversed-phase liquid chromatography ; Amino acid derivatives ; Retention prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Retention prediction of o-phthalaldehyde amino acid derivatives in reversed-phase liquid chromatography has been investigated. The retention of all derivatives could be predicted within about 10% relative error under the appropriate separation conditions in both isocratic and gradient-elution modes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02311498
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  • 8
    Electronic Resource
    Electronic Resource
    Correlation between retention data of polycyclic aromatic hydrocarbons and several descriptors in supercritical-fluid chromatography (1986)
    Springer
    Chromatographia 21 (1986), S. 219-222 
    Details
    ISSN: 1612-1112
    Keywords: Supercritical-fluid chroamtography ; Polycyclic aromatic hydrocarbons ; Retention prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The correlation between retention data of polycyclic aromatic hydrocarbons (PAHs) obtained in various supercritical fluid-chromatographic systems (SFC systems) and several descriptors is investigated in order to determine the dominant factors controlling the retention. It is clear that the separation of PAHs in SFC is primarily controlled by the molecular size of the solute and its polarizability. The retention in SFC can be predicted with help of the equation derived by this study.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02311890
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  • 9
    Electronic Resource
    Electronic Resource
    Computer-assisted retention prediction of polycyclic aromatic hydrocarbons in supercritical fluid chromatography using carbon dioxide as the mobile phase (1987)
    Springer
    Chromatographia 23 (1987), S. 631-638 
    Details
    ISSN: 1612-1112
    Keywords: Supercritical fluid chromatography ; Carbon dioxide ; Polycyclic aromatics ; Retention prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The dependence of the capacity factor of polycyclic aromatic hydrocarbons on column temperature and on the density of the mobile phase in supercritical-fluid chromatography was investigated using carbon dioxide as the mobile phase. Logarithmic capacity factors of polycyclic aromatic hydrocarbons were obtained as a linear function of the reciprocal column temperature at a constant molar volume of carbon dioxide. The application of the Retention Prediction System to supercritical-fluid chromatography is demonstrated: one can predict the retention of polycyclic aromatic hydrocarbons using equations including column temperature, density and the physico-chemical properties of the solutes as the parameters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02311490
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  • 10
    Electronic Resource
    Electronic Resource
    Retention prediction of polycyclic aromatic hydrocarbons in reversed phase liquid chromatography with various mobile phase compositions and column temperatures (1986)
    Springer
    Chromatographia 22 (1986), S. 13-18 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Mobile phase composition and column temperature ; Retention prediction ; Polycyclic aromatic hydrocarbons
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The relationship between the logarithmic capacity factor measured in reversed-phase liquid chromatography and the operating conditions including the mobile phase composition and the column temperature is investigated. The strategy described herein can offer the possibility to predict the retention of polycyclic aromatic hydrocarbons without any experiments and standard materials, by utilizing equations describing the relationships between retention, temperature, mobile phase composition and physicochemical properties of the solutes previously stored in the program of the microcomputer-assisted retention prediction system. This concept is one of the most promising techniques for the optimization of the separation conditions in reversed-phase liquid chromatography.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02257289
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