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 simulation as a tool for the rapid optimization of the high-performance liquid chromatographic separation of a tryptic digest of human growth hormone.

R.C. Chloupek, W.S. Hancock, L.R. Snyder
J. Chromatogr. A, 594, 1–2, 65–73 (1992)

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Computer simulation was used to optimize the separation of a tryptic digest of recombinant human growth hormone using reversed-phase high-performance liquid chromatography in a gradient mode. DryLab G/plus software modelled the retention behavior of the complex tryptic digest mixture as a function of gradient conditions, based on data from two experimental gradient runs. The theoretical optimum separation conditions were rapidly obtained and reproduced experimentally. Resolution did not simply increase as gradient steepness was decreased, rather, an intermediate gradient time provided maximum sample resolution. The simulation results also indicate that the method is reasonably rugged, with little change in the separation expected for different high-performance liquid chromatography systems, and changes in the separation can be compensated by a change in the gradient steepness. Computer simulation can also be useful to quickly reoptimize conditions for a new column, if it fails to provide the same separation.


Computer-Assisted Enhancement of Gas Chromatographic Principles for the Teaching Laboratory. Prediction of Retention Data and Chromatographic Separation

Robert L. Grob, Eugene F. Barry, Sittichai Leepipatpiboon, Jackson M. Ombaba, Luis A. Colon
J Chromatogr Sci, 30, 5, 177–83 (1992), DOI: 10.1093/chromsci/30.5.177

http://chromsci.oxfordjournals.org/content/30/5...

Computer simulation depicting column temperature—solute retention relationships in gas chromatography is a potentially effective instructional tool and can reinforce theoretical concepts presented in the classroom. The role of computer simulation of gas chromatographic separations in an academic laboratory is described for simple mixtures of alcohols and hydrocarbons for which retention data and chromatograms are accurately predicted. The technique is also illustrated for a more complex sample, peppermint oil, where computer-generated chromatographic data compare favorably with the corresponding experimental data. The approach can be incorporated into presently conducted experiments in the analytical or organic chemistry laboratory and is applicable for both isothermal and temperature-programmed separations.


Application of the gradient elution technique: Demonstration with a special test mixture and the DryLab G/plus method development software

R. Däppen, I. Molnár
J. Chromatogr. A, 592, 1–2, 133–141 (1992), DOI: 10.1016/0021-9673(92)85082-5

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

A mixture of ten compounds with an overlapping peak pair was analysed with a 90-min elution gradient. To improve the separation, two reversed-phase gradients differing by a factor of 3 in their run times, were applied. Contrary to expectation, two peak pairs were less well separated in the gradient run with the lower slope. The relative resolution map provided a rapid solution to the problem: a gradient with 16-min run time gave the best separation of the mixture. The simulated chromatogram was verified experimentally. The differences between the predicted and experimental retention times averaged 0.03 min. Further improvement was obtained using a segmented gradient, which adequately separately all peaks in only 9 min.


Determination of By-Products in Atenolol

H. Hoffmann and I. Molnár
Pharm. Ztg. Wiss., 1, 5, 137 (1992)

The method described in this paper was developed with the help of the gradient elution technique. With known dwell volume, gradient elution could be used in routine work without problems. Computer supported HPLC-method development allows the control of a large number of experiments on the screen and verification only of the experimentally promising ones. The method has been developed in 3 days and is approved in practice. With the method, 5 by-products of the synthesis of Atenolol could be identified and quantitatively determined.


Software for Chromatographic Method Development

A. Drouen, J. W. Dolan, L.R. Snyder, A. Poile, and P. Schoenmakers
LCGC, 9, 714 (1991)

Summary of symposium on computer-assisted method development from the 1991 Pittsburgh Conference.


Practical Applications of Computer Simulation for Gas Chromatography Method Development

G.N. Abbay et. al
LCGC, 9, 2, 1001 (1991)

Application of DryLab GC to wide range of environmental, pharmaceutical, and process samples.

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