A novel software tool for high throughput measurements of interconversion barriers: DCXplorer

Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences
O Trapp

Abstract

The software program DCXplorer is introduced to directly access interconversion rate constants in dynamic chromatography and electrophoresis. The program utilizes the unified equation of chromatography which can evaluate reaction rate constants of all kinds of first order reactions of processes taking place during a separation process. Evaluations with DCXplorer are facilitated by a graphical user interface which allows zooming into the area of interest of an interconversion profile and calculating reaction rate constants without a time consuming simulation process. DCXplorer was applied to determine the enantiomerization barrier of the diuretic drug chlorthalidone by pressure supported dynamic capillary electrokinetic chromatography (DEKC) under acidic conditions at pH 5.00 and pH 3.75. Activation parameters DeltaH(++) and DeltaS(++) were obtained from temperature dependent measurements between 15.0 and 35.0 degrees C in 5 K steps at pH 3.75 and between 30.0 and 50.0 degrees C in 10K steps at pH 5.00.

Citations

Nov 26, 2010·Journal of Chromatography. a·Marina M CarrozzoCarlo Parenti
Jan 3, 2013·Chirality·Frank Maier, Oliver Trapp
Feb 13, 2013·Chirality·Matthias Kamuf, Oliver Trapp
Sep 21, 2011·Chirality·Giuseppe CannazzaCarlo Parenti
Sep 17, 2010·Chirality·Matthias Kamuf, Oliver Trapp
Jun 6, 2009·Chirality·Oliver TrappWerner Könen
Mar 2, 2010·Electrophoresis·Wolfgang ThormannRichard A Mosher
Jun 28, 2016·Journal of Pharmaceutical and Biomedical Analysis·S BouabdallahS Touil
Feb 26, 2015·Physical Chemistry Chemical Physics : PCCP·Angela BihlmeierWim Klopper
Apr 30, 2014·Beilstein Journal of Organic Chemistry·Mario GeffeTill Opatz
Nov 12, 2019·Chemistry : a European Journal·Andrew BallardAndrew G Leach
Feb 18, 2012·Chemical Communications : Chem Comm·Stefano Levi MorteraClaudio Villani
Nov 19, 2010·Organic & Biomolecular Chemistry·Jürgen RotzlerMarcel Mayor
Jan 28, 2021·Chemistry : a European Journal·Linda Maria BannwartMarcel Mayor
Jul 22, 2021·Electrophoresis·Wolfgang Thormann, Richard A Mosher

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