Rapid separation of warfarin enantiomers on polysaccharide chiral stationary phases with a chiral recognition mechanism by computational approaches

The present article describes fast, inexpensive and reproducible chiral-HPLC separation of warfarin enantiomers with Chiralpak IA, Chiralpak AS-3R and Chiralcel OD-RH CSPs. The separation factors for these CSPs ranged from 1.33−2.50, 0.54−2.23, and 2.23; and 1.95 to 2.74, while the values of resolution factors ranged from 1.05−1.47, 1.01−1.59, and 2.89−3.90, respectively. Various mobile phases of normal, reversed and polar organic modes were used. These methods offered a short separation time (1.17−3.63 min) with a cost-effective method. The simulation study confirmed chiral recognition mechanism with key interactions. The main interactions involved were π–π, hydrogen bonding and π–alkyl binding. Other forces involved were dipole‒dipole forces, van der Waals forces and steric effects. The reported methods are highly inexpensive and may be used to determine the excess enantiomers of warfarin in any sample.