Literature

So far, more than 260 peer reviewed papers have been published on the application of DryLab – a complete list of which you can find here.

DryLab draws on the philosophy described in the three most famous Solvophobic Theory papers IIIIII of Csaba Horváth, which were developed in the years 1975-1977 at Yale University (see also literature by Dr. Imre Molnár).

Read more about the Fundamentals of DryLab and its History.

Keyword Year

Microemulsion Electrokinetic Chromatography of Drugs Varying in Charge and Hydrophobicity, Part II: Strategies for Optimization of Separation

Valérie Harang, Sven P. Jacobsson, and Douglas Westerlund
Electrophoresis A, 25, 1792-1809 (2004)

Keywords: Chromatographic functions, Microemulsion electrokinetic chromatography, Molecular modeling, Statistical experimental design, Three-level full factorial design

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The separation of anionic, cationic, and neutral drugs in microemulsion electrokinetic chromatography (MEEKC) was studied. The concentration of sodium dodecyl sulfate (SDS, surfactant) and 2-propanol (organic solvent) was varied in a three-level full factorial design. 29 different model substances were chosen with different hydrophobicities and charges (neutral, positive, and negative).


Computer-Assisted Method Development and Optimization in High-Performance Liquid Chromatography

T.H. Hoang, D. Cuerrier, S. McClintock, and M. Di Maso
J. Chromatogr. A, 991, 2, 281 (2003)

Keywords: Computer-assisted optimization, Computer simulation, DryLab

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http://doi.org/10.1016/S0021-9673(03)00206-1

DryLab is used for the optimization of a model drug candidate and its degradation products. Accuracy of DryLab predicted retention times and resolution is compared with experimental values.


Optimizing Multilinear Gradients in HPLC

T. Jupille, L. Snyder, I. Molnár
LCGC Europe, 2-6 (2002)

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Multi-linear gradients have not been widely used in general-purpose HPLC in part because of experimental inconvenience in method development. Even with the use of computer modeling, identifying an optimum set of breakpoints has been done primarily by trial and error. Combining a spreadsheet with controllable chromatography modeling software has allowed to implement a systematic approach to bi- and tri-linear gradient optimization.


Computerized Design of Separation Strategies in Reversed-phase Liquid Chromatography: Development of DryLab software

I. Molnár
J. Chromatogr. A, 956 (2002)

Keywords: Method development, Resolution, Computer simulation, Resolution map, DryLab, Reviews, Quality control

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The development of the DryLab Software is a special achievement in analytical HPLC, which took place in the last 16 years. This paper tries to collect historical building stones and fundaments, which were laid down by the eminent work of Lloyd Snyder, John Dolan, Tom Jupille and many other enthusiastic scientist, from which DryLab has been put together to its state, where it is today. DryLab, being always a subject to changes, according to the needs of the user, never stopped to go on. Under the force of an ever changing science market, the development team of DryLab had to consider not just scientific improvements, but also new technological achievements, such as the introduction of Windows 1.0 and 3.1, later Windows NT and Windows 2000. The recent availability of new 32 bit program-ming tools allowed to carry out calculations of chromatograms much faster, to be able to show peak movements, which result of slight changes - for example - in eluent pH. DryLab is a great success of an interdisciplinary and intercontinental cooperation of many scientists.


Two-dimensional optimization using different pairs of variables for the reversed-phase high-performance liquid chromatographic separation of a mixture of acidic compounds

 T.H. Jupille, J.W. Dolan, L.R. Snyder, I. Molnár
J. Chromatogr. A, 948, 1-2, 35-41 (2002), DOI: 10.1016/S0021-9673(01)01587-4

Keywords: Optimization, Computer simulation, Method development, Resolution, Organic Acids

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For ionizable compounds such as organic acids, best results were obtained recently with simultaneous optimization of %B and pH, regardless of ionic strength or temperature. Changes in the pH of eluent A, adjusted to bracket the pK-values of acids (works also for bases and zwitterions), help to understand changes in critical resolution values due to shifts in peak positions.


Computer-assisted optimization in the development of a high-performance liquid chromatographic method for the analysis of kava pyrones in Piper methysticum preparations

A.H. Schmidt, I. Molnár
J. Chromatogr. A, 948, 51-63 (2002), DOI: 10.1016/S0021-9673(02)00066-3

Keywords: Optimization, Piper methysticum, Mobile phase composition, Plant materials, Pharmaceutical analysis, Method development, Computer simulation, Kava pyrones, Pyrones

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A new strategy for neutral compounds, contained in many phytopharmaceuticals, was presented at HPLC 2001 in Maastricht by Molnár and Schmidt. The systematic work with kava pyrones and three different organic modifiers, methanol, acetonitrile and 2-propanol, by simultanously changing gradient slope versus temperature or gradient slope versus pH reveals the true composition of such mixtures.

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