title: Computer-assisted optimization in the development of a high-performance liquid chromatographic method for the analysis of kava pyrones in Piper methysticum preparations.
abstract: A computer simulation program was used to optimize the separation for six kava pyrones and two unidentified components obtaining the best resolution and the shortest run time. With DryLab it was possible to find the best separation conditions without running a large number of possible combination of variables in the laboratory. Additionally, due to the systematic progress in method development a new eluent was found with excellent properties, namely 2-propanol. With 2-propanol, the largest number of components could be revealed in the shortest analysis time. Starting with four initial experiments, the software allowed to optimize gradient time tG and temperature T simultaneously. Changing other variables such as type of organic modifier, the eluent pH, the gradient form, and the flow-rate, the optimization resulted in resolution Rs > 1.5 for all kava pyrones and the two additional new bands. The HPLC method is used to analyze kava pyrones in Piper methysticum preparations.
authors.affiliation: Steiner and Co., Deutsche Arzneimittel Gesellschaft, Postfach 450520, 12175 Berlin, Germany. ASchmidt@steinerarznei-berlin.de
authors.forename: Alexander H
authors.initials: AH
authors.lastname: Schmidt
authors.forename: Imre
authors.initials: I
authors.lastname: Molnar
mesh_terms: D019840:2-Propanol; D002021:Buffers; D002851:Chromatography, High Pressure Liquid / Q000295:instrumentation / Q000379:methods*; D003201:Computers; D006863:Hydrogen-Ion Concentration; D020901:Kava / Q000737:chemistry*; D000432:Methanol; D031701:Piper / Q000737:chemistry*; D011753:Pyrones / Q000032:analysis*; D012984:Software; D012997:Solvents; D013056:Spectrophotometry, Ultraviolet; D013696:Temperature
chemical_list: D002021:Buffers; D011753:Pyrones; D012997:Solvents; D019840:2-Propanol; D000432:Methanol