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

Computer-Assisted Rapid Development of Gradient High-Performance Liquid Chromatographic Methods for the Analysis of Antibiotics

R. Bonfichi
J. Chromatogr. A, 678, 2, 213–221 (1994), DOI: 10.1016/0021-9673(94)80468-0

http://www.sciencedirect.com/science/article/pi...

Computer simulation by DryLab G/plus has proved to be an invaluable tool in the rapid development of analytical HPLC methods for antibiotics. A glycopeptide antibiotic under study at this Research Center was taken into consideration as a case study. Retention data from two preliminary experiments have allowed us to perform several simulations which greatly shortened the time normally required for the identification of the optimum gradient conditions. The “key steps” in the simulation process have been experimentally verified and a more than satisfactory agreement between calculated and experimental retention times was consistently found.


Separation of arachidonic acid metabolites by on-line extraction and reversed-phase high-performance liquid chromatography optimized by computer simulation

H. Fritsch, I. Molnár, M. Wurl
J. Chromatogr. A, 684, 1, 65–75 (1994), DOI: 10.1016/S0021-9673(94)89133-8

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A complex mixture of arachidonic acid metabolites was separated by reversed-phase HPLC using a multi-step gradient, which was modelled by computer-assisted HPLC method development. The metabolites were extracted on-line on a precolumn connected to the analytical column in the same HPLC system. The predictions of the resolution and also the retention times calculated by computer simulation were very accurate when compared with the corresponding experimental run (maximum deviation 0.86%). An appropriate HPLC method and additionally an on-line extraction procedure could be developed with just three experimental HPLC runs. This method could be useful for evaluating the concentrations of arachidonic acid metabolites involved in inflammatory diseases.


Temperature as a variable in reversed-phase high-performance liquid chromatographic separations of peptide and protein samples: I. Optimizing the separation of a growth hormone tryptic digest

W.S. Hancock, Rosanne C. Chloupeka, J.J. Kirkland, L.R. Snyder
J. Chromatogr. A, 686, 1, 31–43 (1994), DOI: 10.1016/0021-9673(94)00077-8

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http://www.sciencedirect.com/science/article/pi...

Peptide and protein samples are often complex mixtures that contain a number of individual compounds. The initial HPLC separation of such samples typically results in the poor resolution of one or more band pairs. Various means have been suggested tor varying separation selectivity so as to minimize this problem. In this study of a tryptic digest of recombinant human growth hormone, the simultaneous variation of temperature and gradient steepness was found to be a convenient and effective means of varying selectivity and optimizing the separation. The use of computer simulation greatly facilitated this investigation.


Temperature as a variable in reversed-phase high-performance liquid chromatographic separations of peptide and protein samples: II. Selectivity effects observed in the separation of several peptide and protein mixtures

Rosanne C. Chloupek et. al
J. Chromatogr. A, 686, 1, 45–59 (1994), DOI: 10.1016/S0021-9673(94)89009-9

http://www.sciencedirect.com/science/article/pi...

Changes in band spacing as a function of temperature and/or gradient steepness were investigated for four peptide or protein samples. Reversed-phase HPLC in a gradient mode was used to separate tryptic digests of tissue plasminogen activator and calmodulin. Additionally, a synthetic peptide mixture and a storage protein sample from wheat were studied. Simultaneous changes in gradient steepness and temperature were found to provide considerable control over band spacing and sample resolution.

The effects of temperature and gradient steepness on selectivity in these systems appear to be complementary. Simultaneous optimization of both temperature and gradient steepness thus represents a powerful and convenient means of controlling band spacing and separation. Because of the complexity of these sample chromatograms, computer simulation proved to be a useful tool in both interpreting these experiments and in optimizing final separations.


Use of computer simulations in the development of gradient and isocratic high-performance liquid chromatography methods for analysis of drug compounds and synthetic intermediates

Loren Wrisley
J. Chromatogr. A, 628, 2, 191–198 (1993)

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http://doi.org/10.1016/0021-9673(93)80002-P

DryLab G/plus and DryLab I/plus (LC Resources) are shown to be effective aids in the development and optimization of gradient and isocratic HPLC conditions for the assay of drug substances and related compounds. Data obtained after two experimental runs in the laboratory are entered into the appropriate program where HPLC conditions can be altered (e.g. flow-rate, column dimensions, mobile phase composition, gradient steepness and shape, etc.) to arrive at optimum separation conditions with less analyst time required. The computer simulations from DryLab G/plus are shown to be suitably accurate under “real life” conditions in the development of gradient purity methods for two drug substances (Zalospirone and WY-47 384) and two synthetic intermediates (cyclooctatetraene and 2-methylcarboxybenzaldehyde). Moreover, DryLab I/plus was shown to be accurate in predicting isocratic retention for the separation of impurities in cyclooctatetraene, both in scaling down to small columns for speed and scaling up to a semi-preparative separation for isolation of impurities.


Computer-assisted optimization of the gas chromatographic separation of equine estrogens

Arya Jayatilaka, Colin F. Poole
J. Chromatogr. B, 617, 1, 19-27 (1993)

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http://doi.org/10.1016/0378-4347(93)80416-2

The pharmaceutically important conjugated estrogens of the type excreted by pregnant mares were baseline-resolved by gas chromatography (GC) on a SE-30 fused-silica open tubular column after acid hydrolysis and conversion to their tert.-butyldimethylsilyl derivatives. The temperature-programmed conditions were optimized with the aid of DryLab GC software with excellent agreement between the predicted and experimental results. The composition of conjugated estrogens in Premarin tablets is described as an application of the method.

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