LCGC Europe-02-01-2018

Is that peak “pure”? How do I know if there might be something hiding under there?

The drug discovery process can be accelerated by chromatographic profiling of analogs by measuring their nonspecific binding to proteins and lipids and then by modelling in vivo distribution. A balanced potency and chromatographically determined membrane and protein binding ensure the selection of compounds with the highest probability to show the desired in vivo distribution behaviour for efficacy and reduced toxicity. The first part of the article will discuss the high performance liquid chromatography (HPLC)-based measurements of lipophilicity and biomimetic properties, while the second part will discuss the models derived from the measured data of known drug molecules and drug discovery compounds.

Chromatographic method development for pharmaceutical analysis can benefit from in silico steered serial coupling of column segments containing different stationary phases of varying length. Contrary to column coupling through trial and error, in stationary-phase optimized selectivity (SOS)-based chromatography the retention of all solutes is predicted for all possible column combinations allowing a rational selection of the optimal column combination. The possibilities of the strategy now surpass the initial usage in isocratic high performance liquid chromatography (HPLC) on dedicated commercial column segments, and allow applications in gradient-, green-, preparative-, and in supercritical fluid chromatography (SFC) on conventional column hardware. Current possibilities, pharmaceutical applications, a downloadable algorithm, and weaknesses of the approach are discussed to allow broader implementation of this methodology in separation science.

Analytica will take place at the Messe München, Munich, Germany from 10–13 April 2018, alongside the Analytica conference that will take place at the International Congress Center (ICM) from 10–12 April 2018.

Mira Petrovic from the Catalan Institute for Water Research (ICRA) in Girona, Spain, reveals the advantages and practical applications of a novel method she developed for the multiresidue trace analysis of pharmaceutical compounds and their corresponding metabolites and transformation products using dual-column liquid chromatography (LC) coupled to tandem mass spectrometry (MS/MS).

The 2nd Copenhagen Symposium on Separation Sciences (CSSS 2018) will be held at DGI-Byen Hotel, Copenhagen, Denmark, from 26–27 June 2018.

Five tips to avoid common problems in LC–MS

Click the title above to open the LCGC Europe February 2018 regular issue, Vol 31, No 2, in an interactive PDF format.