The phenomenon of solidification a substance from its liquid phase is the greatest practical and theoretical importance, atomistic simulations can provide precious information towards understanding control. Unfortunately, time scale for crystallization much larger than what be explored in standard simulations. Enhanced sampling methods overcome this hurdle. Here we employ on-the-fly probability...

A new polymorph of tolfenamic acid, form IX, has been crystallised from a simple cooling crystallisation experiment raising the question as to why this had never reported before.

The industrial crystallisation of well soluble substances is often dominated by secondary nucleation, in particular contact nucleation, and crystal growth. In different crystallisers types the attrition is mainly caused by the crystals impact onto stirrer blades, pumps, etc. The ultimate objective is to quantitatively describe a crystallization process, which is governed by the formation and gr...

Reaction of [Ir(C^N)2Cl]2 with chiral bidentate N⁁OH ligands provides complexes [Ir(C^N)2(N^O)] as a 1 : 1 mixture of diastereomers which can be separated by crystallisation. A pure diastereomer can be converted to [Ir(C^N)2(bipy)][CF3CO2] with complete retention of stereochemistry at the metal.

The synthesis and crystallisation of the pharmaceutically important metabolite, paracetamol-O-glucuronide, is described. Hydrated and anhydrous forms of the target molecule have been characterised by PXRD, DSC and TGA. In addition, a methanol solvate has been analysed, including single crystal analysis, which represents the first structure solution for this system.

Abstract Arc magmatism is fundamental to the generation of new continental or island arc crust. However, mechanisms that add chemical complexity natural calc-alkaline magmas ranging from basaltic rhyolitic compositions are debated. Differentiation currently discussed include magma mixing, assimilation, crustal melting, (fractional) crystallisation. In this contribution, differentiation by decom...