The importance of configurational disorder in crystal structure prediction: the case of loratadine

A crystal structure prediction study of loratadine demonstrates the important role of experimentally observed disorder in determining the relative stability of the known monotropically related polymorphs.</p

Transforming Computed Energy Landscapes into Experimental Realities – the Role of Structural Rugosity

We exploit the possible link between structural surface roughness and difficulty of crystallisation. Polymorphs with smooth surfaces may nucleate and crystallise easier than polymorphs with rough surfaces. The concept is applied to crystal structure prediction landscapes and reveals a promising complementary way of ranking putative crystal structures

Continuous Cocrystallization for Dissolution Rate Optimization of a Poorly Water-Soluble Drug

A continuous manufacturing process, hot melt extrusion (HME), was employed for the development of high quality carbamazepine–saccharin (CBZ–SCH) cocrystals. The produced cocrystals were compared with a prototype prepared by a solvent method. It was found that processing parameters such as temperature, screw speed, and screw configuration were the critical processing parameters. In-line near-infrared analysis demonstrated that cocrystallization takes place gradually during the process along the extruder’s mixing zones. Further characterization of the extruded cocrystals proved that the manufactured highly crystalline cocrystals were similar to the prototype but had improved CBZ dissolution rates. Continuous manufacturing of cocrystals of water-insoluble drugs is a novel and robust approach

Applications of crystal structure prediction – organic molecular structures:general discussion

International audienc

Continuous cocrystallization for dissolution rate optimization of a poorly water-soluble drug

A continuous manufacturing process, hot melt extrusion (HME), was employed for the development of high quality carbamazepine–saccharin (CBZ–SCH) cocrystals. The produced cocrystals were compared with a prototype prepared by a solvent method. It was found that processing parameters such as temperature, screw speed, and screw configuration were the critical processing parameters. In-line near-infrared analysis demonstrated that cocrystallization takes place gradually during the process along the extruder’s mixing zones. Further characterization of the extruded cocrystals proved that the manufactured highly crystalline cocrystals were similar to the prototype but had improved CBZ dissolution rates. Continuous manufacturing of cocrystals of water-insoluble drugs is a novel and robust approach

Crystal structure evaluation: calculating relative stabilities and other criteria:general discussion

International audienc